data_30457 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30457 _Entry.Title ; HSP40 co-chaperone Sis1 J-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-23 _Entry.Accession_date 2018-04-23 _Entry.Last_release_date 2018-05-16 _Entry.Original_release_date 2018-05-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30457 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Pinheiro G. M.S. . . 30457 2 G. Amorim G. C. . . 30457 3 A. Iqbal A. . . . 30457 4 C. Ramos C. H.I. . . 30457 5 F. Almeida F. C.L. . . 30457 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30457 J-domain . 30457 Sis1 . 30457 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30457 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 30457 '15N chemical shifts' 73 30457 '1H chemical shifts' 467 30457 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 . . 2019-07-24 2018-04-23 update BMRB 'update entry citation' 30457 1 . . 2019-04-24 2018-04-23 original author 'original release' 30457 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6D6X . 30457 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30457 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31141701 _Citation.Full_citation . _Citation.Title ; Solution NMR investigation on the structure and function of the isolated J-domain from Sis1: Evidence of transient inter-domain interactions in the full-length protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Arch. Biochem. Biophys.' _Citation.Journal_name_full 'Archives of biochemistry and biophysics' _Citation.Journal_volume 669 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1096-0384 _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 71 _Citation.Page_last 79 _Citation.Year 2019 _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 Glaucia Pinheiro . . . . 30457 1 2 Gisele Amorim G. C. . . 30457 1 3 Anwar Iqbal A. . . . 30457 1 4 Fabio Almeida . . . . 30457 1 5 C Ramos . . . . 30457 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30457 _Assembly.ID 1 _Assembly.Name 'Type II HSP40 co-chaperone' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30457 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30457 _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 ; SVKETKLYDLLGVSPSANEQ ELKKGYRKAALKYHPDKPTG DTEKFKEISEAFEILNDPQK REIYDQYGLEAARSGGPSFG P ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 2-81' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9091.122 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 30457 1 2 . VAL . 30457 1 3 . LYS . 30457 1 4 . GLU . 30457 1 5 . THR . 30457 1 6 . LYS . 30457 1 7 . LEU . 30457 1 8 . TYR . 30457 1 9 . ASP . 30457 1 10 . LEU . 30457 1 11 . LEU . 30457 1 12 . GLY . 30457 1 13 . VAL . 30457 1 14 . SER . 30457 1 15 . PRO . 30457 1 16 . SER . 30457 1 17 . ALA . 30457 1 18 . ASN . 30457 1 19 . GLU . 30457 1 20 . GLN . 30457 1 21 . GLU . 30457 1 22 . LEU . 30457 1 23 . LYS . 30457 1 24 . LYS . 30457 1 25 . GLY . 30457 1 26 . TYR . 30457 1 27 . ARG . 30457 1 28 . LYS . 30457 1 29 . ALA . 30457 1 30 . ALA . 30457 1 31 . LEU . 30457 1 32 . LYS . 30457 1 33 . TYR . 30457 1 34 . HIS . 30457 1 35 . PRO . 30457 1 36 . ASP . 30457 1 37 . LYS . 30457 1 38 . PRO . 30457 1 39 . THR . 30457 1 40 . GLY . 30457 1 41 . ASP . 30457 1 42 . THR . 30457 1 43 . GLU . 30457 1 44 . LYS . 30457 1 45 . PHE . 30457 1 46 . LYS . 30457 1 47 . GLU . 30457 1 48 . ILE . 30457 1 49 . SER . 30457 1 50 . GLU . 30457 1 51 . ALA . 30457 1 52 . PHE . 30457 1 53 . GLU . 30457 1 54 . ILE . 30457 1 55 . LEU . 30457 1 56 . ASN . 30457 1 57 . ASP . 30457 1 58 . PRO . 30457 1 59 . GLN . 30457 1 60 . LYS . 30457 1 61 . ARG . 30457 1 62 . GLU . 30457 1 63 . ILE . 30457 1 64 . TYR . 30457 1 65 . ASP . 30457 1 66 . GLN . 30457 1 67 . TYR . 30457 1 68 . GLY . 30457 1 69 . LEU . 30457 1 70 . GLU . 30457 1 71 . ALA . 30457 1 72 . ALA . 30457 1 73 . ARG . 30457 1 74 . SER . 30457 1 75 . GLY . 30457 1 76 . GLY . 30457 1 77 . PRO . 30457 1 78 . SER . 30457 1 79 . PHE . 30457 1 80 . GLY . 30457 1 81 . PRO . 30457 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 30457 1 . VAL 2 2 30457 1 . LYS 3 3 30457 1 . GLU 4 4 30457 1 . THR 5 5 30457 1 . LYS 6 6 30457 1 . LEU 7 7 30457 1 . TYR 8 8 30457 1 . ASP 9 9 30457 1 . LEU 10 10 30457 1 . LEU 11 11 30457 1 . GLY 12 12 30457 1 . VAL 13 13 30457 1 . SER 14 14 30457 1 . PRO 15 15 30457 1 . SER 16 16 30457 1 . ALA 17 17 30457 1 . ASN 18 18 30457 1 . GLU 19 19 30457 1 . GLN 20 20 30457 1 . GLU 21 21 30457 1 . LEU 22 22 30457 1 . LYS 23 23 30457 1 . LYS 24 24 30457 1 . GLY 25 25 30457 1 . TYR 26 26 30457 1 . ARG 27 27 30457 1 . LYS 28 28 30457 1 . ALA 29 29 30457 1 . ALA 30 30 30457 1 . LEU 31 31 30457 1 . LYS 32 32 30457 1 . TYR 33 33 30457 1 . HIS 34 34 30457 1 . PRO 35 35 30457 1 . ASP 36 36 30457 1 . LYS 37 37 30457 1 . PRO 38 38 30457 1 . THR 39 39 30457 1 . GLY 40 40 30457 1 . ASP 41 41 30457 1 . THR 42 42 30457 1 . GLU 43 43 30457 1 . LYS 44 44 30457 1 . PHE 45 45 30457 1 . LYS 46 46 30457 1 . GLU 47 47 30457 1 . ILE 48 48 30457 1 . SER 49 49 30457 1 . GLU 50 50 30457 1 . ALA 51 51 30457 1 . PHE 52 52 30457 1 . GLU 53 53 30457 1 . ILE 54 54 30457 1 . LEU 55 55 30457 1 . ASN 56 56 30457 1 . ASP 57 57 30457 1 . PRO 58 58 30457 1 . GLN 59 59 30457 1 . LYS 60 60 30457 1 . ARG 61 61 30457 1 . GLU 62 62 30457 1 . ILE 63 63 30457 1 . TYR 64 64 30457 1 . ASP 65 65 30457 1 . GLN 66 66 30457 1 . TYR 67 67 30457 1 . GLY 68 68 30457 1 . LEU 69 69 30457 1 . GLU 70 70 30457 1 . ALA 71 71 30457 1 . ALA 72 72 30457 1 . ARG 73 73 30457 1 . SER 74 74 30457 1 . GLY 75 75 30457 1 . GLY 76 76 30457 1 . PRO 77 77 30457 1 . SER 78 78 30457 1 . PHE 79 79 30457 1 . GLY 80 80 30457 1 . PRO 81 81 30457 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 30457 _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 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 'SIS1, SCKG_3227' . 30457 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 30457 _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 BL21(DE3)' . . 469008 . . BL21(DE3) . . plasmid . . pEt32a . . . 30457 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30457 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '220 uM [U-13C; U-15N] Sis1 1-81, 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 'Sis1 1-81' '[U-13C; U-15N]' . . 1 $entity_1 . . 220 . . uM . . . . 30457 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30457 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-15N] Sis1 1-81, 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 'Sis1 1-81' [U-15N] . . 1 $entity_1 . . 200 . . uM . . . . 30457 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30457 _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' 200 . mM 30457 1 pH 7.5 . pH 30457 1 pressure 1 . atm 30457 1 temperature 303 . K 30457 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30457 _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' . . 30457 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30457 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30457 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30457 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30457 2 . 'data analysis' 30457 2 . 'peak picking' 30457 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30457 _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' . . 30457 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30457 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30457 _Software.ID 4 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30457 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30457 4 . 'structure calculation' 30457 4 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 30457 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30457 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30457 _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 DRX . 600 . . . 30457 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 30457 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 30457 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30457 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30457 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30457 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 30457 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30457 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30457 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30457 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 30457 _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' . . . 30457 1 2 '3D HNCACB' . . . 30457 1 3 '3D CBCA(CO)NH' . . . 30457 1 4 '3D HNCO' . . . 30457 1 5 '3D HN(CO)CA' . . . 30457 1 6 '3D HCCH-TOCSY' . . . 30457 1 7 '2D 1H-13C HSQC' . . . 30457 1 8 '3D 1H-15N NOESY' . . . 30457 1 9 '3D 1H-13C NOESY' . . . 30457 1 10 '3D HBHA(CO)NH' . . . 30457 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 173.981 . . 1 . . 762 . A 1 SER C . 30457 1 2 . 1 1 1 1 SER CA C 13 58.020 . . 1 . . 697 . A 1 SER CA . 30457 1 3 . 1 1 1 1 SER CB C 13 64.135 . . 1 . . 698 . A 1 SER CB . 30457 1 4 . 1 1 2 2 VAL H H 1 7.842 0.008 . 1 . . 59 . A 2 VAL H . 30457 1 5 . 1 1 2 2 VAL HA H 1 4.435 0.018 . 1 . . 693 . A 2 VAL HA . 30457 1 6 . 1 1 2 2 VAL HB H 1 2.481 0.014 . 1 . . 694 . A 2 VAL HB . 30457 1 7 . 1 1 2 2 VAL HG11 H 1 0.706 0.012 . 2 . . 710 . A 2 VAL HG11 . 30457 1 8 . 1 1 2 2 VAL HG12 H 1 0.706 0.012 . 2 . . 710 . A 2 VAL HG12 . 30457 1 9 . 1 1 2 2 VAL HG13 H 1 0.706 0.012 . 2 . . 710 . A 2 VAL HG13 . 30457 1 10 . 1 1 2 2 VAL HG21 H 1 0.869 0.022 . 2 . . 711 . A 2 VAL HG21 . 30457 1 11 . 1 1 2 2 VAL HG22 H 1 0.869 0.022 . 2 . . 711 . A 2 VAL HG22 . 30457 1 12 . 1 1 2 2 VAL HG23 H 1 0.869 0.022 . 2 . . 711 . A 2 VAL HG23 . 30457 1 13 . 1 1 2 2 VAL C C 13 175.551 . . 1 . . 751 . A 2 VAL C . 30457 1 14 . 1 1 2 2 VAL CA C 13 60.815 0.145 . 1 . . 692 . A 2 VAL CA . 30457 1 15 . 1 1 2 2 VAL CB C 13 33.035 0.19 . 1 . . 691 . A 2 VAL CB . 30457 1 16 . 1 1 2 2 VAL CG1 C 13 19.434 . . 2 . . 843 . A 2 VAL CG1 . 30457 1 17 . 1 1 2 2 VAL CG2 C 13 22.283 . . 2 . . 844 . A 2 VAL CG2 . 30457 1 18 . 1 1 2 2 VAL N N 15 117.450 0.077 . 1 . . 60 . A 2 VAL N . 30457 1 19 . 1 1 3 3 LYS H H 1 8.300 0.014 . 1 . . 105 . A 3 LYS H . 30457 1 20 . 1 1 3 3 LYS HA H 1 3.946 0.006 . 1 . . 366 . A 3 LYS HA . 30457 1 21 . 1 1 3 3 LYS HB2 H 1 1.612 0.021 . 2 . . 367 . A 3 LYS HB2 . 30457 1 22 . 1 1 3 3 LYS HB3 H 1 1.434 0.005 . 2 . . 368 . A 3 LYS HB3 . 30457 1 23 . 1 1 3 3 LYS HG2 H 1 1.358 0.007 . 1 . . 731 . A 3 LYS HG2 . 30457 1 24 . 1 1 3 3 LYS HG3 H 1 1.358 0.007 . 1 . . 730 . A 3 LYS HG3 . 30457 1 25 . 1 1 3 3 LYS HE2 H 1 2.996 0.008 . 1 . . 727 . A 3 LYS HE2 . 30457 1 26 . 1 1 3 3 LYS HE3 H 1 2.996 0.008 . 1 . . 726 . A 3 LYS HE3 . 30457 1 27 . 1 1 3 3 LYS C C 13 176.984 . . 1 . . 752 . A 3 LYS C . 30457 1 28 . 1 1 3 3 LYS CA C 13 58.638 0.061 . 1 . . 304 . A 3 LYS CA . 30457 1 29 . 1 1 3 3 LYS CB C 13 33.059 0.097 . 1 . . 305 . A 3 LYS CB . 30457 1 30 . 1 1 3 3 LYS CG C 13 24.451 0.159 . 1 . . 729 . A 3 LYS CG . 30457 1 31 . 1 1 3 3 LYS CE C 13 42.117 0.05 . 1 . . 728 . A 3 LYS CE . 30457 1 32 . 1 1 3 3 LYS N N 15 125.850 0.1 . 1 . . 106 . A 3 LYS N . 30457 1 33 . 1 1 4 4 GLU H H 1 9.227 0.011 . 1 . . 15 . A 4 GLU H . 30457 1 34 . 1 1 4 4 GLU C C 13 175.863 . . 1 . . 753 . A 4 GLU C . 30457 1 35 . 1 1 4 4 GLU CA C 13 54.909 . . 1 . . 695 . A 4 GLU CA . 30457 1 36 . 1 1 4 4 GLU CB C 13 32.636 . . 1 . . 696 . A 4 GLU CB . 30457 1 37 . 1 1 4 4 GLU N N 15 117.774 0.065 . 1 . . 16 . A 4 GLU N . 30457 1 38 . 1 1 5 5 THR HA H 1 4.787 0.012 . 1 . . 401 . A 5 THR HA . 30457 1 39 . 1 1 5 5 THR HB H 1 4.797 0.008 . 1 . . 682 . A 5 THR HB . 30457 1 40 . 1 1 5 5 THR HG21 H 1 1.111 0.007 . 1 . . 687 . A 5 THR HG21 . 30457 1 41 . 1 1 5 5 THR HG22 H 1 1.111 0.007 . 1 . . 687 . A 5 THR HG22 . 30457 1 42 . 1 1 5 5 THR HG23 H 1 1.111 0.007 . 1 . . 687 . A 5 THR HG23 . 30457 1 43 . 1 1 5 5 THR C C 13 176.695 0.032 . 1 . . 339 . A 5 THR C . 30457 1 44 . 1 1 5 5 THR CA C 13 62.487 0.165 . 1 . . 290 . A 5 THR CA . 30457 1 45 . 1 1 5 5 THR CB C 13 69.181 0.203 . 1 . . 291 . A 5 THR CB . 30457 1 46 . 1 1 5 5 THR CG2 C 13 20.060 0.01 . 1 . . 686 . A 5 THR CG2 . 30457 1 47 . 1 1 6 6 LYS H H 1 7.678 0.006 . 1 . . 53 . A 6 LYS H . 30457 1 48 . 1 1 6 6 LYS HA H 1 4.168 0.012 . 1 . . 350 . A 6 LYS HA . 30457 1 49 . 1 1 6 6 LYS HB2 H 1 1.831 0.008 . 2 . . 351 . A 6 LYS HB2 . 30457 1 50 . 1 1 6 6 LYS HB3 H 1 2.131 0.008 . 2 . . 352 . A 6 LYS HB3 . 30457 1 51 . 1 1 6 6 LYS HG2 H 1 1.437 0.018 . 1 . . 737 . A 6 LYS HG2 . 30457 1 52 . 1 1 6 6 LYS HG3 H 1 1.425 0.026 . 1 . . 680 . A 6 LYS HG3 . 30457 1 53 . 1 1 6 6 LYS HE2 H 1 2.927 0.0 . 1 . . 734 . A 6 LYS HE2 . 30457 1 54 . 1 1 6 6 LYS HE3 H 1 2.927 0.0 . 1 . . 733 . A 6 LYS HE3 . 30457 1 55 . 1 1 6 6 LYS C C 13 177.407 0.012 . 1 . . 234 . A 6 LYS C . 30457 1 56 . 1 1 6 6 LYS CA C 13 60.742 0.22 . 1 . . 235 . A 6 LYS CA . 30457 1 57 . 1 1 6 6 LYS CB C 13 33.135 0.058 . 1 . . 236 . A 6 LYS CB . 30457 1 58 . 1 1 6 6 LYS CG C 13 24.573 0.097 . 1 . . 614 . A 6 LYS CG . 30457 1 59 . 1 1 6 6 LYS CD C 13 29.219 0.018 . 1 . . 615 . A 6 LYS CD . 30457 1 60 . 1 1 6 6 LYS CE C 13 42.378 0.118 . 1 . . 613 . A 6 LYS CE . 30457 1 61 . 1 1 6 6 LYS N N 15 123.272 0.065 . 1 . . 54 . A 6 LYS N . 30457 1 62 . 1 1 7 7 LEU H H 1 8.287 0.009 . 1 . . 83 . A 7 LEU H . 30457 1 63 . 1 1 7 7 LEU HA H 1 3.819 0.015 . 1 . . 408 . A 7 LEU HA . 30457 1 64 . 1 1 7 7 LEU HB2 H 1 0.825 0.015 . 1 . . 410 . A 7 LEU HB2 . 30457 1 65 . 1 1 7 7 LEU HB3 H 1 0.823 0.016 . 1 . . 409 . A 7 LEU HB3 . 30457 1 66 . 1 1 7 7 LEU HG H 1 1.295 0.017 . 1 . . 635 . A 7 LEU HG . 30457 1 67 . 1 1 7 7 LEU HD11 H 1 0.812 0.108 . 1 . . 640 . A 7 LEU HD11 . 30457 1 68 . 1 1 7 7 LEU HD12 H 1 0.502 0.011 . 2 . . 636 . A 7 LEU HD12 . 30457 1 69 . 1 1 7 7 LEU HD13 H 1 0.502 0.011 . 2 . . 636 . A 7 LEU HD13 . 30457 1 70 . 1 1 7 7 LEU HD21 H 1 -0.114 0.009 . 2 . . 637 . A 7 LEU HD21 . 30457 1 71 . 1 1 7 7 LEU HD22 H 1 -0.114 0.009 . 2 . . 637 . A 7 LEU HD22 . 30457 1 72 . 1 1 7 7 LEU HD23 H 1 -0.114 0.009 . 2 . . 637 . A 7 LEU HD23 . 30457 1 73 . 1 1 7 7 LEU C C 13 177.698 0.017 . 1 . . 233 . A 7 LEU C . 30457 1 74 . 1 1 7 7 LEU CA C 13 58.491 0.147 . 1 . . 231 . A 7 LEU CA . 30457 1 75 . 1 1 7 7 LEU CB C 13 40.485 0.109 . 1 . . 232 . A 7 LEU CB . 30457 1 76 . 1 1 7 7 LEU CG C 13 25.532 0.224 . 1 . . 626 . A 7 LEU CG . 30457 1 77 . 1 1 7 7 LEU CD1 C 13 20.986 0.033 . 1 . . 628 . A 7 LEU CD1 . 30457 1 78 . 1 1 7 7 LEU CD2 C 13 21.269 0.202 . 1 . . 627 . A 7 LEU CD2 . 30457 1 79 . 1 1 7 7 LEU N N 15 113.624 0.041 . 1 . . 84 . A 7 LEU N . 30457 1 80 . 1 1 8 8 TYR H H 1 6.731 0.007 . 1 . . 41 . A 8 TYR H . 30457 1 81 . 1 1 8 8 TYR HA H 1 3.770 0.011 . 1 . . 463 . A 8 TYR HA . 30457 1 82 . 1 1 8 8 TYR HB2 H 1 2.885 0.007 . 2 . . 461 . A 8 TYR HB2 . 30457 1 83 . 1 1 8 8 TYR HB3 H 1 3.140 0.009 . 2 . . 462 . A 8 TYR HB3 . 30457 1 84 . 1 1 8 8 TYR HD1 H 1 6.922 0.012 . 1 . . 715 . A 8 TYR HD1 . 30457 1 85 . 1 1 8 8 TYR HD2 H 1 6.922 0.012 . 1 . . 715 . A 8 TYR HD2 . 30457 1 86 . 1 1 8 8 TYR C C 13 178.652 0.01 . 1 . . 229 . A 8 TYR C . 30457 1 87 . 1 1 8 8 TYR CA C 13 61.491 0.139 . 1 . . 230 . A 8 TYR CA . 30457 1 88 . 1 1 8 8 TYR CB C 13 36.930 0.186 . 1 . . 228 . A 8 TYR CB . 30457 1 89 . 1 1 8 8 TYR CD1 C 13 132.870 . . 1 . . 767 . A 8 TYR CD1 . 30457 1 90 . 1 1 8 8 TYR CD2 C 13 132.870 . . 1 . . 767 . A 8 TYR CD2 . 30457 1 91 . 1 1 8 8 TYR N N 15 114.814 0.052 . 1 . . 42 . A 8 TYR N . 30457 1 92 . 1 1 9 9 ASP H H 1 8.557 0.007 . 1 . . 45 . A 9 ASP H . 30457 1 93 . 1 1 9 9 ASP HA H 1 4.414 0.005 . 1 . . 470 . A 9 ASP HA . 30457 1 94 . 1 1 9 9 ASP HB2 H 1 2.698 0.019 . 2 . . 468 . A 9 ASP HB2 . 30457 1 95 . 1 1 9 9 ASP HB3 H 1 2.855 0.023 . 2 . . 469 . A 9 ASP HB3 . 30457 1 96 . 1 1 9 9 ASP C C 13 180.572 . . 1 . . 338 . A 9 ASP C . 30457 1 97 . 1 1 9 9 ASP CA C 13 57.482 0.19 . 1 . . 227 . A 9 ASP CA . 30457 1 98 . 1 1 9 9 ASP CB C 13 39.976 0.092 . 1 . . 337 . A 9 ASP CB . 30457 1 99 . 1 1 9 9 ASP N N 15 119.951 0.074 . 1 . . 46 . A 9 ASP N . 30457 1 100 . 1 1 10 10 LEU H H 1 8.319 0.006 . 1 . . 61 . A 10 LEU H . 30457 1 101 . 1 1 10 10 LEU HA H 1 4.019 0.011 . 1 . . 473 . A 10 LEU HA . 30457 1 102 . 1 1 10 10 LEU HB2 H 1 1.237 0.009 . 2 . . 471 . A 10 LEU HB2 . 30457 1 103 . 1 1 10 10 LEU HB3 H 1 1.953 0.008 . 2 . . 472 . A 10 LEU HB3 . 30457 1 104 . 1 1 10 10 LEU HG H 1 0.750 0.019 . 1 . . 634 . A 10 LEU HG . 30457 1 105 . 1 1 10 10 LEU HD11 H 1 0.775 0.012 . 1 . . 633 . A 10 LEU HD11 . 30457 1 106 . 1 1 10 10 LEU HD12 H 1 0.775 0.012 . 1 . . 633 . A 10 LEU HD12 . 30457 1 107 . 1 1 10 10 LEU HD13 H 1 0.775 0.012 . 1 . . 633 . A 10 LEU HD13 . 30457 1 108 . 1 1 10 10 LEU HD21 H 1 0.773 0.015 . 1 . . 632 . A 10 LEU HD21 . 30457 1 109 . 1 1 10 10 LEU HD22 H 1 0.773 0.015 . 1 . . 632 . A 10 LEU HD22 . 30457 1 110 . 1 1 10 10 LEU HD23 H 1 0.773 0.015 . 1 . . 632 . A 10 LEU HD23 . 30457 1 111 . 1 1 10 10 LEU C C 13 178.011 0.024 . 1 . . 224 . A 10 LEU C . 30457 1 112 . 1 1 10 10 LEU CA C 13 57.755 0.107 . 1 . . 225 . A 10 LEU CA . 30457 1 113 . 1 1 10 10 LEU CB C 13 42.814 0.198 . 1 . . 226 . A 10 LEU CB . 30457 1 114 . 1 1 10 10 LEU CG C 13 26.441 0.139 . 1 . . 586 . A 10 LEU CG . 30457 1 115 . 1 1 10 10 LEU CD1 C 13 23.586 0.186 . 1 . . 630 . A 10 LEU CD1 . 30457 1 116 . 1 1 10 10 LEU CD2 C 13 23.621 0.187 . 1 . . 629 . A 10 LEU CD2 . 30457 1 117 . 1 1 10 10 LEU N N 15 121.079 0.057 . 1 . . 62 . A 10 LEU N . 30457 1 118 . 1 1 11 11 LEU H H 1 6.929 0.006 . 1 . . 63 . A 11 LEU H . 30457 1 119 . 1 1 11 11 LEU HA H 1 4.239 0.023 . 1 . . 426 . A 11 LEU HA . 30457 1 120 . 1 1 11 11 LEU HB2 H 1 1.823 0.016 . 2 . . 427 . A 11 LEU HB2 . 30457 1 121 . 1 1 11 11 LEU HB3 H 1 1.612 0.011 . 2 . . 428 . A 11 LEU HB3 . 30457 1 122 . 1 1 11 11 LEU HG H 1 0.944 0.025 . 1 . . 681 . A 11 LEU HG . 30457 1 123 . 1 1 11 11 LEU C C 13 178.036 . . 1 . . 256 . A 11 LEU C . 30457 1 124 . 1 1 11 11 LEU CA C 13 53.913 0.199 . 1 . . 150 . A 11 LEU CA . 30457 1 125 . 1 1 11 11 LEU CB C 13 42.837 0.062 . 1 . . 257 . A 11 LEU CB . 30457 1 126 . 1 1 11 11 LEU CG C 13 26.263 0.084 . 1 . . 631 . A 11 LEU CG . 30457 1 127 . 1 1 11 11 LEU CD1 C 13 23.399 . . 1 . . 838 . A 11 LEU CD1 . 30457 1 128 . 1 1 11 11 LEU CD2 C 13 23.399 . . 1 . . 837 . A 11 LEU CD2 . 30457 1 129 . 1 1 11 11 LEU N N 15 113.966 0.036 . 1 . . 64 . A 11 LEU N . 30457 1 130 . 1 1 12 12 GLY H H 1 7.934 0.008 . 1 . . 129 . A 12 GLY H . 30457 1 131 . 1 1 12 12 GLY HA2 H 1 3.949 0.017 . 1 . . 510 . A 12 GLY HA2 . 30457 1 132 . 1 1 12 12 GLY HA3 H 1 3.941 0.005 . 1 . . 467 . A 12 GLY HA3 . 30457 1 133 . 1 1 12 12 GLY C C 13 175.591 . . 1 . . 258 . A 12 GLY C . 30457 1 134 . 1 1 12 12 GLY CA C 13 46.836 0.121 . 1 . . 149 . A 12 GLY CA . 30457 1 135 . 1 1 12 12 GLY N N 15 108.323 0.041 . 1 . . 130 . A 12 GLY N . 30457 1 136 . 1 1 13 13 VAL H H 1 7.802 0.007 . 1 . . 57 . A 13 VAL H . 30457 1 137 . 1 1 13 13 VAL HA H 1 4.844 0.006 . 1 . . 354 . A 13 VAL HA . 30457 1 138 . 1 1 13 13 VAL HB H 1 2.452 0.008 . 1 . . 353 . A 13 VAL HB . 30457 1 139 . 1 1 13 13 VAL HG11 H 1 0.985 . . 2 . . 839 . A 13 VAL HG11 . 30457 1 140 . 1 1 13 13 VAL HG12 H 1 0.985 . . 2 . . 839 . A 13 VAL HG12 . 30457 1 141 . 1 1 13 13 VAL HG13 H 1 0.985 . . 2 . . 839 . A 13 VAL HG13 . 30457 1 142 . 1 1 13 13 VAL HG21 H 1 0.898 . . 2 . . 841 . A 13 VAL HG21 . 30457 1 143 . 1 1 13 13 VAL HG22 H 1 0.898 . . 2 . . 841 . A 13 VAL HG22 . 30457 1 144 . 1 1 13 13 VAL HG23 H 1 0.898 . . 2 . . 841 . A 13 VAL HG23 . 30457 1 145 . 1 1 13 13 VAL C C 13 174.562 . . 1 . . 259 . A 13 VAL C . 30457 1 146 . 1 1 13 13 VAL CA C 13 58.431 0.127 . 1 . . 146 . A 13 VAL CA . 30457 1 147 . 1 1 13 13 VAL CB C 13 35.214 0.164 . 1 . . 145 . A 13 VAL CB . 30457 1 148 . 1 1 13 13 VAL CG1 C 13 19.274 . . 2 . . 840 . A 13 VAL CG1 . 30457 1 149 . 1 1 13 13 VAL CG2 C 13 21.401 . . 2 . . 842 . A 13 VAL CG2 . 30457 1 150 . 1 1 13 13 VAL N N 15 110.405 0.043 . 1 . . 58 . A 13 VAL N . 30457 1 151 . 1 1 14 14 SER H H 1 8.350 0.006 . 1 . . 109 . A 14 SER H . 30457 1 152 . 1 1 14 14 SER C C 13 173.279 . . 1 . . 260 . A 14 SER C . 30457 1 153 . 1 1 14 14 SER CA C 13 56.234 . . 1 . . 147 . A 14 SER CA . 30457 1 154 . 1 1 14 14 SER CB C 13 63.757 . . 1 . . 148 . A 14 SER CB . 30457 1 155 . 1 1 14 14 SER N N 15 116.554 0.038 . 1 . . 110 . A 14 SER N . 30457 1 156 . 1 1 15 15 PRO HA H 1 2.451 0.016 . 1 . . 458 . A 15 PRO HA . 30457 1 157 . 1 1 15 15 PRO HB2 H 1 1.552 0.022 . 2 . . 456 . A 15 PRO HB2 . 30457 1 158 . 1 1 15 15 PRO HB3 H 1 1.717 0.008 . 2 . . 457 . A 15 PRO HB3 . 30457 1 159 . 1 1 15 15 PRO HG2 H 1 1.956 0.011 . 2 . . 661 . A 15 PRO HG2 . 30457 1 160 . 1 1 15 15 PRO HG3 H 1 1.381 0.012 . 2 . . 662 . A 15 PRO HG3 . 30457 1 161 . 1 1 15 15 PRO HD2 H 1 3.444 0.004 . 2 . . 663 . A 15 PRO HD2 . 30457 1 162 . 1 1 15 15 PRO HD3 H 1 3.129 0.007 . 2 . . 666 . A 15 PRO HD3 . 30457 1 163 . 1 1 15 15 PRO C C 13 175.894 . . 1 . . 754 . A 15 PRO C . 30457 1 164 . 1 1 15 15 PRO CA C 13 63.315 0.192 . 1 . . 142 . A 15 PRO CA . 30457 1 165 . 1 1 15 15 PRO CB C 13 32.116 0.127 . 1 . . 141 . A 15 PRO CB . 30457 1 166 . 1 1 15 15 PRO CG C 13 27.777 0.071 . 1 . . 659 . A 15 PRO CG . 30457 1 167 . 1 1 15 15 PRO CD C 13 49.866 0.279 . 1 . . 660 . A 15 PRO CD . 30457 1 168 . 1 1 16 16 SER H H 1 7.238 0.006 . 1 . . 37 . A 16 SER H . 30457 1 169 . 1 1 16 16 SER HA H 1 4.319 0.011 . 1 . . 482 . A 16 SER HA . 30457 1 170 . 1 1 16 16 SER HB2 H 1 3.693 0.012 . 2 . . 444 . A 16 SER HB2 . 30457 1 171 . 1 1 16 16 SER HB3 H 1 3.885 0.047 . 2 . . 481 . A 16 SER HB3 . 30457 1 172 . 1 1 16 16 SER C C 13 174.495 . . 1 . . 223 . A 16 SER C . 30457 1 173 . 1 1 16 16 SER CA C 13 57.132 0.164 . 1 . . 143 . A 16 SER CA . 30457 1 174 . 1 1 16 16 SER CB C 13 63.313 0.219 . 1 . . 144 . A 16 SER CB . 30457 1 175 . 1 1 16 16 SER N N 15 108.479 0.049 . 1 . . 38 . A 16 SER N . 30457 1 176 . 1 1 17 17 ALA H H 1 7.707 0.009 . 1 . . 85 . A 17 ALA H . 30457 1 177 . 1 1 17 17 ALA HA H 1 4.275 0.008 . 1 . . 477 . A 17 ALA HA . 30457 1 178 . 1 1 17 17 ALA HB1 H 1 1.544 0.013 . 1 . . 478 . A 17 ALA HB1 . 30457 1 179 . 1 1 17 17 ALA HB2 H 1 1.544 0.013 . 1 . . 478 . A 17 ALA HB2 . 30457 1 180 . 1 1 17 17 ALA HB3 H 1 1.544 0.013 . 1 . . 478 . A 17 ALA HB3 . 30457 1 181 . 1 1 17 17 ALA C C 13 177.913 0.018 . 1 . . 222 . A 17 ALA C . 30457 1 182 . 1 1 17 17 ALA CA C 13 53.241 0.168 . 1 . . 221 . A 17 ALA CA . 30457 1 183 . 1 1 17 17 ALA CB C 13 19.887 0.191 . 1 . . 220 . A 17 ALA CB . 30457 1 184 . 1 1 17 17 ALA N N 15 124.776 0.043 . 1 . . 86 . A 17 ALA N . 30457 1 185 . 1 1 18 18 ASN H H 1 8.582 0.011 . 1 . . 77 . A 18 ASN H . 30457 1 186 . 1 1 18 18 ASN HA H 1 4.963 0.012 . 1 . . 343 . A 18 ASN HA . 30457 1 187 . 1 1 18 18 ASN HB2 H 1 3.438 0.011 . 2 . . 344 . A 18 ASN HB2 . 30457 1 188 . 1 1 18 18 ASN HB3 H 1 3.013 0.008 . 2 . . 345 . A 18 ASN HB3 . 30457 1 189 . 1 1 18 18 ASN C C 13 175.428 0.007 . 1 . . 217 . A 18 ASN C . 30457 1 190 . 1 1 18 18 ASN CA C 13 50.725 0.146 . 1 . . 218 . A 18 ASN CA . 30457 1 191 . 1 1 18 18 ASN CB C 13 38.922 0.15 . 1 . . 219 . A 18 ASN CB . 30457 1 192 . 1 1 18 18 ASN N N 15 120.382 0.134 . 1 . . 78 . A 18 ASN N . 30457 1 193 . 1 1 19 19 GLU H H 1 8.676 0.012 . 1 . . 17 . A 19 GLU H . 30457 1 194 . 1 1 19 19 GLU HA H 1 3.999 0.01 . 1 . . 382 . A 19 GLU HA . 30457 1 195 . 1 1 19 19 GLU HB2 H 1 2.232 0.008 . 2 . . 383 . A 19 GLU HB2 . 30457 1 196 . 1 1 19 19 GLU HB3 H 1 2.083 0.016 . 2 . . 384 . A 19 GLU HB3 . 30457 1 197 . 1 1 19 19 GLU HG2 H 1 2.230 0.008 . 1 . . 575 . A 19 GLU HG2 . 30457 1 198 . 1 1 19 19 GLU HG3 H 1 2.232 0.009 . 1 . . 576 . A 19 GLU HG3 . 30457 1 199 . 1 1 19 19 GLU C C 13 178.665 0.015 . 1 . . 215 . A 19 GLU C . 30457 1 200 . 1 1 19 19 GLU CA C 13 60.544 0.122 . 1 . . 214 . A 19 GLU CA . 30457 1 201 . 1 1 19 19 GLU CB C 13 29.675 0.134 . 1 . . 216 . A 19 GLU CB . 30457 1 202 . 1 1 19 19 GLU CG C 13 36.273 0.04 . 1 . . 574 . A 19 GLU CG . 30457 1 203 . 1 1 19 19 GLU N N 15 117.561 0.062 . 1 . . 18 . A 19 GLU N . 30457 1 204 . 1 1 20 20 GLN H H 1 8.104 0.005 . 1 . . 117 . A 20 GLN H . 30457 1 205 . 1 1 20 20 GLN HA H 1 4.099 0.014 . 1 . . 393 . A 20 GLN HA . 30457 1 206 . 1 1 20 20 GLN HB2 H 1 2.183 0.022 . 1 . . 394 . A 20 GLN HB2 . 30457 1 207 . 1 1 20 20 GLN HB3 H 1 2.183 0.022 . 1 . . 395 . A 20 GLN HB3 . 30457 1 208 . 1 1 20 20 GLN HG2 H 1 2.493 0.004 . 1 . . 578 . A 20 GLN HG2 . 30457 1 209 . 1 1 20 20 GLN HG3 H 1 2.493 0.004 . 1 . . 577 . A 20 GLN HG3 . 30457 1 210 . 1 1 20 20 GLN C C 13 179.215 0.019 . 1 . . 180 . A 20 GLN C . 30457 1 211 . 1 1 20 20 GLN CA C 13 59.417 0.135 . 1 . . 255 . A 20 GLN CA . 30457 1 212 . 1 1 20 20 GLN CB C 13 28.244 0.147 . 1 . . 181 . A 20 GLN CB . 30457 1 213 . 1 1 20 20 GLN CG C 13 34.451 0.165 . 1 . . 579 . A 20 GLN CG . 30457 1 214 . 1 1 20 20 GLN N N 15 118.656 0.09 . 1 . . 118 . A 20 GLN N . 30457 1 215 . 1 1 21 21 GLU H H 1 8.439 0.007 . 1 . . 11 . A 21 GLU H . 30457 1 216 . 1 1 21 21 GLU HA H 1 4.037 0.007 . 1 . . 374 . A 21 GLU HA . 30457 1 217 . 1 1 21 21 GLU HB2 H 1 2.316 0.009 . 2 . . 375 . A 21 GLU HB2 . 30457 1 218 . 1 1 21 21 GLU HB3 H 1 2.011 0.013 . 2 . . 376 . A 21 GLU HB3 . 30457 1 219 . 1 1 21 21 GLU HG2 H 1 2.543 0.011 . 1 . . 565 . A 21 GLU HG2 . 30457 1 220 . 1 1 21 21 GLU HG3 H 1 2.543 0.011 . 1 . . 564 . A 21 GLU HG3 . 30457 1 221 . 1 1 21 21 GLU C C 13 180.225 0.004 . 1 . . 173 . A 21 GLU C . 30457 1 222 . 1 1 21 21 GLU CA C 13 59.290 0.11 . 1 . . 254 . A 21 GLU CA . 30457 1 223 . 1 1 21 21 GLU CB C 13 29.930 0.107 . 1 . . 172 . A 21 GLU CB . 30457 1 224 . 1 1 21 21 GLU CG C 13 36.956 0.216 . 1 . . 563 . A 21 GLU CG . 30457 1 225 . 1 1 21 21 GLU N N 15 121.213 0.067 . 1 . . 12 . A 21 GLU N . 30457 1 226 . 1 1 22 22 LEU H H 1 8.712 0.009 . 1 . . 1 . A 22 LEU H . 30457 1 227 . 1 1 22 22 LEU HA H 1 4.055 0.004 . 1 . . 385 . A 22 LEU HA . 30457 1 228 . 1 1 22 22 LEU HB2 H 1 2.109 0.009 . 2 . . 386 . A 22 LEU HB2 . 30457 1 229 . 1 1 22 22 LEU HB3 H 1 1.489 0.014 . 2 . . 387 . A 22 LEU HB3 . 30457 1 230 . 1 1 22 22 LEU HG H 1 1.833 0.01 . 1 . . 641 . A 22 LEU HG . 30457 1 231 . 1 1 22 22 LEU HD11 H 1 0.752 0.019 . 2 . . 642 . A 22 LEU HD11 . 30457 1 232 . 1 1 22 22 LEU HD12 H 1 0.752 0.019 . 2 . . 642 . A 22 LEU HD12 . 30457 1 233 . 1 1 22 22 LEU HD13 H 1 0.752 0.019 . 2 . . 642 . A 22 LEU HD13 . 30457 1 234 . 1 1 22 22 LEU HD21 H 1 0.759 0.016 . 2 . . 643 . A 22 LEU HD21 . 30457 1 235 . 1 1 22 22 LEU HD22 H 1 0.759 0.016 . 2 . . 643 . A 22 LEU HD22 . 30457 1 236 . 1 1 22 22 LEU HD23 H 1 0.759 0.016 . 2 . . 643 . A 22 LEU HD23 . 30457 1 237 . 1 1 22 22 LEU C C 13 178.487 0.015 . 1 . . 178 . A 22 LEU C . 30457 1 238 . 1 1 22 22 LEU CA C 13 58.803 0.126 . 1 . . 177 . A 22 LEU CA . 30457 1 239 . 1 1 22 22 LEU CB C 13 42.799 0.119 . 1 . . 179 . A 22 LEU CB . 30457 1 240 . 1 1 22 22 LEU CG C 13 25.548 0.106 . 1 . . 587 . A 22 LEU CG . 30457 1 241 . 1 1 22 22 LEU N N 15 120.439 0.049 . 1 . . 2 . A 22 LEU N . 30457 1 242 . 1 1 23 23 LYS H H 1 8.028 0.008 . 1 . . 5 . A 23 LYS H . 30457 1 243 . 1 1 23 23 LYS HA H 1 3.962 0.015 . 1 . . 379 . A 23 LYS HA . 30457 1 244 . 1 1 23 23 LYS HB2 H 1 2.049 0.015 . 1 . . 380 . A 23 LYS HB2 . 30457 1 245 . 1 1 23 23 LYS HB3 H 1 2.045 0.017 . 1 . . 381 . A 23 LYS HB3 . 30457 1 246 . 1 1 23 23 LYS HG2 H 1 1.570 0.006 . 2 . . 652 . A 23 LYS HG2 . 30457 1 247 . 1 1 23 23 LYS HG3 H 1 1.764 0.011 . 2 . . 747 . A 23 LYS HG3 . 30457 1 248 . 1 1 23 23 LYS HD2 H 1 1.777 0.01 . 1 . . 749 . A 23 LYS HD2 . 30457 1 249 . 1 1 23 23 LYS HD3 H 1 1.777 0.009 . 1 . . 748 . A 23 LYS HD3 . 30457 1 250 . 1 1 23 23 LYS HE2 H 1 3.062 0.003 . 1 . . 744 . A 23 LYS HE2 . 30457 1 251 . 1 1 23 23 LYS HE3 H 1 3.061 0.001 . 1 . . 743 . A 23 LYS HE3 . 30457 1 252 . 1 1 23 23 LYS C C 13 178.948 0.018 . 1 . . 192 . A 23 LYS C . 30457 1 253 . 1 1 23 23 LYS CA C 13 60.396 0.166 . 1 . . 190 . A 23 LYS CA . 30457 1 254 . 1 1 23 23 LYS CB C 13 32.412 0.103 . 1 . . 191 . A 23 LYS CB . 30457 1 255 . 1 1 23 23 LYS CG C 13 26.373 0.089 . 1 . . 746 . A 23 LYS CG . 30457 1 256 . 1 1 23 23 LYS CD C 13 29.869 0.135 . 1 . . 750 . A 23 LYS CD . 30457 1 257 . 1 1 23 23 LYS CE C 13 42.441 0.155 . 1 . . 745 . A 23 LYS CE . 30457 1 258 . 1 1 23 23 LYS N N 15 118.122 0.041 . 1 . . 6 . A 23 LYS N . 30457 1 259 . 1 1 24 24 LYS H H 1 8.118 0.01 . 1 . . 65 . A 24 LYS H . 30457 1 260 . 1 1 24 24 LYS HA H 1 4.007 0.01 . 1 . . 346 . A 24 LYS HA . 30457 1 261 . 1 1 24 24 LYS HB2 H 1 1.921 0.009 . 1 . . 506 . A 24 LYS HB2 . 30457 1 262 . 1 1 24 24 LYS HB3 H 1 1.922 0.007 . 1 . . 347 . A 24 LYS HB3 . 30457 1 263 . 1 1 24 24 LYS HG2 H 1 1.439 0.004 . 2 . . 740 . A 24 LYS HG2 . 30457 1 264 . 1 1 24 24 LYS HG3 H 1 1.667 0.011 . 2 . . 742 . A 24 LYS HG3 . 30457 1 265 . 1 1 24 24 LYS HE2 H 1 2.959 0.01 . 1 . . 739 . A 24 LYS HE2 . 30457 1 266 . 1 1 24 24 LYS HE3 H 1 2.959 0.01 . 1 . . 738 . A 24 LYS HE3 . 30457 1 267 . 1 1 24 24 LYS C C 13 179.543 0.018 . 1 . . 212 . A 24 LYS C . 30457 1 268 . 1 1 24 24 LYS CA C 13 60.047 0.164 . 1 . . 213 . A 24 LYS CA . 30457 1 269 . 1 1 24 24 LYS CB C 13 32.585 0.049 . 1 . . 171 . A 24 LYS CB . 30457 1 270 . 1 1 24 24 LYS CG C 13 26.349 0.008 . 1 . . 741 . A 24 LYS CG . 30457 1 271 . 1 1 24 24 LYS CE C 13 42.639 0.116 . 1 . . 242 . A 24 LYS CE . 30457 1 272 . 1 1 24 24 LYS N N 15 119.747 0.105 . 1 . . 66 . A 24 LYS N . 30457 1 273 . 1 1 25 25 GLY H H 1 8.379 0.006 . 1 . . 7 . A 25 GLY H . 30457 1 274 . 1 1 25 25 GLY HA2 H 1 3.950 0.014 . 1 . . 396 . A 25 GLY HA2 . 30457 1 275 . 1 1 25 25 GLY HA3 H 1 3.956 0.012 . 1 . . 397 . A 25 GLY HA3 . 30457 1 276 . 1 1 25 25 GLY C C 13 176.364 0.012 . 1 . . 210 . A 25 GLY C . 30457 1 277 . 1 1 25 25 GLY CA C 13 47.420 0.125 . 1 . . 211 . A 25 GLY CA . 30457 1 278 . 1 1 25 25 GLY N N 15 108.058 0.05 . 1 . . 8 . A 25 GLY N . 30457 1 279 . 1 1 26 26 TYR H H 1 8.567 0.011 . 1 . . 123 . A 26 TYR H . 30457 1 280 . 1 1 26 26 TYR HA H 1 4.149 0.013 . 1 . . 492 . A 26 TYR HA . 30457 1 281 . 1 1 26 26 TYR HB2 H 1 2.796 0.005 . 2 . . 493 . A 26 TYR HB2 . 30457 1 282 . 1 1 26 26 TYR HB3 H 1 2.575 0.009 . 2 . . 494 . A 26 TYR HB3 . 30457 1 283 . 1 1 26 26 TYR HD1 H 1 6.427 0.014 . 1 . . 720 . A 26 TYR HD1 . 30457 1 284 . 1 1 26 26 TYR HD2 H 1 6.427 0.014 . 1 . . 720 . A 26 TYR HD2 . 30457 1 285 . 1 1 26 26 TYR HE1 H 1 6.409 0.029 . 1 . . 721 . A 26 TYR HE1 . 30457 1 286 . 1 1 26 26 TYR HE2 H 1 6.409 0.029 . 1 . . 721 . A 26 TYR HE2 . 30457 1 287 . 1 1 26 26 TYR C C 13 175.952 0.021 . 1 . . 207 . A 26 TYR C . 30457 1 288 . 1 1 26 26 TYR CA C 13 60.949 0.138 . 1 . . 208 . A 26 TYR CA . 30457 1 289 . 1 1 26 26 TYR CB C 13 38.626 0.147 . 1 . . 209 . A 26 TYR CB . 30457 1 290 . 1 1 26 26 TYR CD1 C 13 132.506 . . 1 . . 765 . A 26 TYR CD1 . 30457 1 291 . 1 1 26 26 TYR CD2 C 13 132.506 . . 1 . . 765 . A 26 TYR CD2 . 30457 1 292 . 1 1 26 26 TYR CE1 C 13 117.340 . . 1 . . 766 . A 26 TYR CE1 . 30457 1 293 . 1 1 26 26 TYR CE2 C 13 117.340 . . 1 . . 766 . A 26 TYR CE2 . 30457 1 294 . 1 1 26 26 TYR N N 15 121.971 0.058 . 1 . . 124 . A 26 TYR N . 30457 1 295 . 1 1 27 27 ARG H H 1 8.233 0.01 . 1 . . 125 . A 27 ARG H . 30457 1 296 . 1 1 27 27 ARG HA H 1 3.511 0.006 . 1 . . 491 . A 27 ARG HA . 30457 1 297 . 1 1 27 27 ARG HB2 H 1 1.842 0.014 . 1 . . 490 . A 27 ARG HB2 . 30457 1 298 . 1 1 27 27 ARG HB3 H 1 1.842 0.013 . 1 . . 511 . A 27 ARG HB3 . 30457 1 299 . 1 1 27 27 ARG HG2 H 1 1.575 0.017 . 1 . . 654 . A 27 ARG HG2 . 30457 1 300 . 1 1 27 27 ARG HG3 H 1 1.573 0.016 . 1 . . 655 . A 27 ARG HG3 . 30457 1 301 . 1 1 27 27 ARG HD2 H 1 3.146 0.009 . 1 . . 657 . A 27 ARG HD2 . 30457 1 302 . 1 1 27 27 ARG HD3 H 1 3.146 0.009 . 1 . . 656 . A 27 ARG HD3 . 30457 1 303 . 1 1 27 27 ARG C C 13 178.912 0.009 . 1 . . 204 . A 27 ARG C . 30457 1 304 . 1 1 27 27 ARG CA C 13 59.566 0.131 . 1 . . 205 . A 27 ARG CA . 30457 1 305 . 1 1 27 27 ARG CB C 13 29.771 0.206 . 1 . . 206 . A 27 ARG CB . 30457 1 306 . 1 1 27 27 ARG CG C 13 27.631 0.081 . 1 . . 602 . A 27 ARG CG . 30457 1 307 . 1 1 27 27 ARG CD C 13 43.509 0.104 . 1 . . 601 . A 27 ARG CD . 30457 1 308 . 1 1 27 27 ARG N N 15 118.207 0.04 . 1 . . 126 . A 27 ARG N . 30457 1 309 . 1 1 28 28 LYS H H 1 7.727 0.009 . 1 . . 119 . A 28 LYS H . 30457 1 310 . 1 1 28 28 LYS HA H 1 3.925 0.012 . 1 . . 390 . A 28 LYS HA . 30457 1 311 . 1 1 28 28 LYS HB2 H 1 1.906 0.008 . 1 . . 388 . A 28 LYS HB2 . 30457 1 312 . 1 1 28 28 LYS HB3 H 1 1.903 0.004 . 1 . . 389 . A 28 LYS HB3 . 30457 1 313 . 1 1 28 28 LYS C C 13 178.946 0.015 . 1 . . 203 . A 28 LYS C . 30457 1 314 . 1 1 28 28 LYS CA C 13 59.571 0.099 . 1 . . 170 . A 28 LYS CA . 30457 1 315 . 1 1 28 28 LYS CB C 13 32.623 0.048 . 1 . . 202 . A 28 LYS CB . 30457 1 316 . 1 1 28 28 LYS CG C 13 25.081 0.019 . 1 . . 618 . A 28 LYS CG . 30457 1 317 . 1 1 28 28 LYS CD C 13 29.460 . . 1 . . 617 . A 28 LYS CD . 30457 1 318 . 1 1 28 28 LYS CE C 13 42.094 . . 1 . . 616 . A 28 LYS CE . 30457 1 319 . 1 1 28 28 LYS N N 15 117.437 0.061 . 1 . . 120 . A 28 LYS N . 30457 1 320 . 1 1 29 29 ALA H H 1 8.026 0.007 . 1 . . 9 . A 29 ALA H . 30457 1 321 . 1 1 29 29 ALA HA H 1 4.165 0.004 . 1 . . 370 . A 29 ALA HA . 30457 1 322 . 1 1 29 29 ALA HB1 H 1 1.617 0.012 . 1 . . 369 . A 29 ALA HB1 . 30457 1 323 . 1 1 29 29 ALA HB2 H 1 1.617 0.012 . 1 . . 369 . A 29 ALA HB2 . 30457 1 324 . 1 1 29 29 ALA HB3 H 1 1.617 0.012 . 1 . . 369 . A 29 ALA HB3 . 30457 1 325 . 1 1 29 29 ALA C C 13 179.388 0.015 . 1 . . 199 . A 29 ALA C . 30457 1 326 . 1 1 29 29 ALA CA C 13 54.981 0.132 . 1 . . 201 . A 29 ALA CA . 30457 1 327 . 1 1 29 29 ALA CB C 13 18.739 0.197 . 1 . . 200 . A 29 ALA CB . 30457 1 328 . 1 1 29 29 ALA N N 15 122.578 0.073 . 1 . . 10 . A 29 ALA N . 30457 1 329 . 1 1 30 30 ALA H H 1 8.880 0.008 . 1 . . 91 . A 30 ALA H . 30457 1 330 . 1 1 30 30 ALA HA H 1 3.939 0.014 . 1 . . 479 . A 30 ALA HA . 30457 1 331 . 1 1 30 30 ALA HB1 H 1 1.081 0.005 . 1 . . 480 . A 30 ALA HB1 . 30457 1 332 . 1 1 30 30 ALA HB2 H 1 1.081 0.005 . 1 . . 480 . A 30 ALA HB2 . 30457 1 333 . 1 1 30 30 ALA HB3 H 1 1.081 0.005 . 1 . . 480 . A 30 ALA HB3 . 30457 1 334 . 1 1 30 30 ALA C C 13 179.708 0.022 . 1 . . 196 . A 30 ALA C . 30457 1 335 . 1 1 30 30 ALA CA C 13 55.193 0.16 . 1 . . 197 . A 30 ALA CA . 30457 1 336 . 1 1 30 30 ALA CB C 13 17.818 0.155 . 1 . . 198 . A 30 ALA CB . 30457 1 337 . 1 1 30 30 ALA N N 15 120.514 0.037 . 1 . . 92 . A 30 ALA N . 30457 1 338 . 1 1 31 31 LEU H H 1 7.420 0.01 . 1 . . 79 . A 31 LEU H . 30457 1 339 . 1 1 31 31 LEU HA H 1 3.982 0.011 . 1 . . 512 . A 31 LEU HA . 30457 1 340 . 1 1 31 31 LEU HB2 H 1 1.752 0.009 . 2 . . 513 . A 31 LEU HB2 . 30457 1 341 . 1 1 31 31 LEU HB3 H 1 1.500 0.012 . 2 . . 514 . A 31 LEU HB3 . 30457 1 342 . 1 1 31 31 LEU HG H 1 1.719 0.02 . 1 . . 582 . A 31 LEU HG . 30457 1 343 . 1 1 31 31 LEU HD11 H 1 0.819 0.007 . 1 . . 584 . A 31 LEU HD11 . 30457 1 344 . 1 1 31 31 LEU HD12 H 1 0.819 0.007 . 1 . . 584 . A 31 LEU HD12 . 30457 1 345 . 1 1 31 31 LEU HD13 H 1 0.819 0.007 . 1 . . 584 . A 31 LEU HD13 . 30457 1 346 . 1 1 31 31 LEU C C 13 178.228 0.015 . 1 . . 336 . A 31 LEU C . 30457 1 347 . 1 1 31 31 LEU CA C 13 57.461 0.119 . 1 . . 335 . A 31 LEU CA . 30457 1 348 . 1 1 31 31 LEU CB C 13 42.240 0.169 . 1 . . 334 . A 31 LEU CB . 30457 1 349 . 1 1 31 31 LEU CD1 C 13 24.580 0.01 . 1 . . 653 . A 31 LEU CD1 . 30457 1 350 . 1 1 31 31 LEU CD2 C 13 25.126 0.764 . 1 . . 583 . A 31 LEU CD2 . 30457 1 351 . 1 1 31 31 LEU N N 15 116.332 0.045 . 1 . . 80 . A 31 LEU N . 30457 1 352 . 1 1 32 32 LYS H H 1 7.133 0.008 . 1 . . 121 . A 32 LYS H . 30457 1 353 . 1 1 32 32 LYS HA H 1 3.874 0.008 . 1 . . 474 . A 32 LYS HA . 30457 1 354 . 1 1 32 32 LYS HB2 H 1 1.445 0.006 . 2 . . 475 . A 32 LYS HB2 . 30457 1 355 . 1 1 32 32 LYS HB3 H 1 1.302 0.012 . 2 . . 476 . A 32 LYS HB3 . 30457 1 356 . 1 1 32 32 LYS HG2 H 1 1.432 0.023 . 1 . . 665 . A 32 LYS HG2 . 30457 1 357 . 1 1 32 32 LYS HG3 H 1 1.432 0.027 . 1 . . 664 . A 32 LYS HG3 . 30457 1 358 . 1 1 32 32 LYS HE2 H 1 2.754 0.008 . 1 . . 673 . A 32 LYS HE2 . 30457 1 359 . 1 1 32 32 LYS HE3 H 1 2.754 0.008 . 1 . . 674 . A 32 LYS HE3 . 30457 1 360 . 1 1 32 32 LYS C C 13 177.822 0.019 . 1 . . 340 . A 32 LYS C . 30457 1 361 . 1 1 32 32 LYS CA C 13 58.244 0.165 . 1 . . 341 . A 32 LYS CA . 30457 1 362 . 1 1 32 32 LYS CB C 13 33.017 0.084 . 1 . . 289 . A 32 LYS CB . 30457 1 363 . 1 1 32 32 LYS CG C 13 24.573 0.067 . 1 . . 621 . A 32 LYS CG . 30457 1 364 . 1 1 32 32 LYS CD C 13 29.100 0.003 . 1 . . 620 . A 32 LYS CD . 30457 1 365 . 1 1 32 32 LYS CE C 13 42.295 0.05 . 1 . . 619 . A 32 LYS CE . 30457 1 366 . 1 1 32 32 LYS N N 15 116.404 0.085 . 1 . . 122 . A 32 LYS N . 30457 1 367 . 1 1 33 33 TYR H H 1 7.777 0.012 . 1 . . 67 . A 33 TYR H . 30457 1 368 . 1 1 33 33 TYR HA H 1 4.765 0.023 . 1 . . 398 . A 33 TYR HA . 30457 1 369 . 1 1 33 33 TYR HB2 H 1 3.583 0.008 . 2 . . 399 . A 33 TYR HB2 . 30457 1 370 . 1 1 33 33 TYR HB3 H 1 2.585 0.009 . 2 . . 400 . A 33 TYR HB3 . 30457 1 371 . 1 1 33 33 TYR HE1 H 1 6.900 0.003 . 1 . . 722 . A 33 TYR HE1 . 30457 1 372 . 1 1 33 33 TYR HE2 H 1 6.900 0.003 . 1 . . 722 . A 33 TYR HE2 . 30457 1 373 . 1 1 33 33 TYR C C 13 174.921 0.018 . 1 . . 294 . A 33 TYR C . 30457 1 374 . 1 1 33 33 TYR CA C 13 58.228 0.14 . 1 . . 293 . A 33 TYR CA . 30457 1 375 . 1 1 33 33 TYR CB C 13 39.559 0.179 . 1 . . 437 . A 33 TYR CB . 30457 1 376 . 1 1 33 33 TYR CE1 C 13 118.169 . . 1 . . 768 . A 33 TYR CE1 . 30457 1 377 . 1 1 33 33 TYR CE2 C 13 118.169 . . 1 . . 768 . A 33 TYR CE2 . 30457 1 378 . 1 1 33 33 TYR N N 15 113.105 0.102 . 1 . . 68 . A 33 TYR N . 30457 1 379 . 1 1 34 34 HIS H H 1 7.604 0.006 . 1 . . 69 . A 34 HIS H . 30457 1 380 . 1 1 34 34 HIS HA H 1 3.594 0.011 . 1 . . 708 . A 34 HIS HA . 30457 1 381 . 1 1 34 34 HIS HB2 H 1 2.695 0.014 . 2 . . 706 . A 34 HIS HB2 . 30457 1 382 . 1 1 34 34 HIS HB3 H 1 3.147 0.004 . 2 . . 707 . A 34 HIS HB3 . 30457 1 383 . 1 1 34 34 HIS HD2 H 1 6.761 . . 1 . . 771 . A 34 HIS HD2 . 30457 1 384 . 1 1 34 34 HIS HE1 H 1 7.590 . . 1 . . 769 . A 34 HIS HE1 . 30457 1 385 . 1 1 34 34 HIS CA C 13 56.899 0.15 . 1 . . 439 . A 34 HIS CA . 30457 1 386 . 1 1 34 34 HIS CB C 13 31.142 0.17 . 1 . . 438 . A 34 HIS CB . 30457 1 387 . 1 1 34 34 HIS CD2 C 13 118.136 . . 1 . . 772 . A 34 HIS CD2 . 30457 1 388 . 1 1 34 34 HIS CE1 C 13 138.934 . . 1 . . 770 . A 34 HIS CE1 . 30457 1 389 . 1 1 34 34 HIS N N 15 122.795 0.102 . 1 . . 70 . A 34 HIS N . 30457 1 390 . 1 1 36 36 ASP HA H 1 4.578 0.012 . 1 . . 705 . A 36 ASP HA . 30457 1 391 . 1 1 36 36 ASP HB2 H 1 2.674 0.01 . 2 . . 713 . A 36 ASP HB2 . 30457 1 392 . 1 1 36 36 ASP HB3 H 1 2.580 0.004 . 2 . . 714 . A 36 ASP HB3 . 30457 1 393 . 1 1 36 36 ASP C C 13 175.237 0.011 . 1 . . 292 . A 36 ASP C . 30457 1 394 . 1 1 36 36 ASP CA C 13 54.548 0.093 . 1 . . 702 . A 36 ASP CA . 30457 1 395 . 1 1 36 36 ASP CB C 13 40.971 0.169 . 1 . . 701 . A 36 ASP CB . 30457 1 396 . 1 1 37 37 LYS H H 1 7.666 0.005 . 1 . . 95 . A 37 LYS H . 30457 1 397 . 1 1 37 37 LYS C C 13 181.508 . . 1 . . 755 . A 37 LYS C . 30457 1 398 . 1 1 37 37 LYS CA C 13 57.738 . . 1 . . 700 . A 37 LYS CA . 30457 1 399 . 1 1 37 37 LYS CB C 13 33.677 . . 1 . . 699 . A 37 LYS CB . 30457 1 400 . 1 1 37 37 LYS N N 15 126.067 0.052 . 1 . . 96 . A 37 LYS N . 30457 1 401 . 1 1 38 38 PRO HA H 1 4.427 0.014 . 1 . . 499 . A 38 PRO HA . 30457 1 402 . 1 1 38 38 PRO HB2 H 1 2.007 0.009 . 2 . . 498 . A 38 PRO HB2 . 30457 1 403 . 1 1 38 38 PRO HB3 H 1 2.423 0.005 . 2 . . 515 . A 38 PRO HB3 . 30457 1 404 . 1 1 38 38 PRO HG2 H 1 2.114 0.003 . 1 . . 679 . A 38 PRO HG2 . 30457 1 405 . 1 1 38 38 PRO HG3 H 1 2.108 0.014 . 1 . . 678 . A 38 PRO HG3 . 30457 1 406 . 1 1 38 38 PRO HD2 H 1 3.892 0.004 . 2 . . 688 . A 38 PRO HD2 . 30457 1 407 . 1 1 38 38 PRO HD3 H 1 3.803 0.013 . 2 . . 689 . A 38 PRO HD3 . 30457 1 408 . 1 1 38 38 PRO C C 13 177.681 . . 1 . . 757 . A 38 PRO C . 30457 1 409 . 1 1 38 38 PRO CA C 13 65.160 0.189 . 1 . . 440 . A 38 PRO CA . 30457 1 410 . 1 1 38 38 PRO CB C 13 31.965 0.151 . 1 . . 251 . A 38 PRO CB . 30457 1 411 . 1 1 38 38 PRO CG C 13 27.826 0.202 . 1 . . 677 . A 38 PRO CG . 30457 1 412 . 1 1 38 38 PRO CD C 13 50.441 0.073 . 1 . . 676 . A 38 PRO CD . 30457 1 413 . 1 1 39 39 THR H H 1 6.956 0.01 . 1 . . 139 . A 39 THR H . 30457 1 414 . 1 1 39 39 THR HA H 1 4.381 0.007 . 1 . . 430 . A 39 THR HA . 30457 1 415 . 1 1 39 39 THR HB H 1 4.523 0.009 . 1 . . 429 . A 39 THR HB . 30457 1 416 . 1 1 39 39 THR HG21 H 1 1.161 0.01 . 1 . . 646 . A 39 THR HG21 . 30457 1 417 . 1 1 39 39 THR HG22 H 1 1.161 0.01 . 1 . . 646 . A 39 THR HG22 . 30457 1 418 . 1 1 39 39 THR HG23 H 1 1.161 0.01 . 1 . . 646 . A 39 THR HG23 . 30457 1 419 . 1 1 39 39 THR C C 13 174.396 0.017 . 1 . . 250 . A 39 THR C . 30457 1 420 . 1 1 39 39 THR CA C 13 60.554 0.121 . 1 . . 249 . A 39 THR CA . 30457 1 421 . 1 1 39 39 THR CB C 13 68.674 0.148 . 1 . . 252 . A 39 THR CB . 30457 1 422 . 1 1 39 39 THR CG2 C 13 21.433 0.041 . 1 . . 600 . A 39 THR CG2 . 30457 1 423 . 1 1 39 39 THR N N 15 103.868 0.057 . 1 . . 140 . A 39 THR N . 30457 1 424 . 1 1 40 40 GLY H H 1 7.838 0.008 . 1 . . 99 . A 40 GLY H . 30457 1 425 . 1 1 40 40 GLY HA2 H 1 3.795 0.003 . 1 . . 378 . A 40 GLY HA2 . 30457 1 426 . 1 1 40 40 GLY HA3 H 1 3.794 0.003 . 1 . . 377 . A 40 GLY HA3 . 30457 1 427 . 1 1 40 40 GLY C C 13 173.267 0.016 . 1 . . 253 . A 40 GLY C . 30457 1 428 . 1 1 40 40 GLY CA C 13 46.237 0.138 . 1 . . 244 . A 40 GLY CA . 30457 1 429 . 1 1 40 40 GLY N N 15 109.377 0.057 . 1 . . 100 . A 40 GLY N . 30457 1 430 . 1 1 41 41 ASP H H 1 8.321 0.005 . 1 . . 47 . A 41 ASP H . 30457 1 431 . 1 1 41 41 ASP HB2 H 1 2.759 0.007 . 1 . . 517 . A 41 ASP HB2 . 30457 1 432 . 1 1 41 41 ASP C C 13 175.599 . . 1 . . 267 . A 41 ASP C . 30457 1 433 . 1 1 41 41 ASP CA C 13 54.307 . . 1 . . 265 . A 41 ASP CA . 30457 1 434 . 1 1 41 41 ASP CB C 13 43.966 0.011 . 1 . . 266 . A 41 ASP CB . 30457 1 435 . 1 1 41 41 ASP N N 15 119.367 0.061 . 1 . . 48 . A 41 ASP N . 30457 1 436 . 1 1 42 42 THR HA H 1 3.862 0.006 . 1 . . 392 . A 42 THR HA . 30457 1 437 . 1 1 42 42 THR HB H 1 4.194 0.013 . 1 . . 391 . A 42 THR HB . 30457 1 438 . 1 1 42 42 THR HG21 H 1 1.283 0.004 . 1 . . 541 . A 42 THR HG21 . 30457 1 439 . 1 1 42 42 THR HG22 H 1 1.283 0.004 . 1 . . 541 . A 42 THR HG22 . 30457 1 440 . 1 1 42 42 THR HG23 H 1 1.283 0.004 . 1 . . 541 . A 42 THR HG23 . 30457 1 441 . 1 1 42 42 THR C C 13 176.206 . . 1 . . 758 . A 42 THR C . 30457 1 442 . 1 1 42 42 THR CA C 13 66.694 0.206 . 1 . . 534 . A 42 THR CA . 30457 1 443 . 1 1 42 42 THR CB C 13 68.866 0.238 . 1 . . 535 . A 42 THR CB . 30457 1 444 . 1 1 42 42 THR CG2 C 13 22.096 0.02 . 1 . . 542 . A 42 THR CG2 . 30457 1 445 . 1 1 43 43 GLU H H 1 8.169 0.006 . 1 . . 111 . A 43 GLU H . 30457 1 446 . 1 1 43 43 GLU HA H 1 4.083 0.009 . 1 . . 503 . A 43 GLU HA . 30457 1 447 . 1 1 43 43 GLU HB2 H 1 2.085 0.003 . 1 . . 581 . A 43 GLU HB2 . 30457 1 448 . 1 1 43 43 GLU HB3 H 1 2.083 0.004 . 1 . . 580 . A 43 GLU HB3 . 30457 1 449 . 1 1 43 43 GLU HG2 H 1 2.300 0.01 . 1 . . 555 . A 43 GLU HG2 . 30457 1 450 . 1 1 43 43 GLU HG3 H 1 2.302 0.01 . 1 . . 556 . A 43 GLU HG3 . 30457 1 451 . 1 1 43 43 GLU C C 13 179.483 0.017 . 1 . . 311 . A 43 GLU C . 30457 1 452 . 1 1 43 43 GLU CA C 13 59.446 0.016 . 1 . . 310 . A 43 GLU CA . 30457 1 453 . 1 1 43 43 GLU CB C 13 29.202 0.174 . 1 . . 312 . A 43 GLU CB . 30457 1 454 . 1 1 43 43 GLU CG C 13 36.419 0.142 . 1 . . 554 . A 43 GLU CG . 30457 1 455 . 1 1 43 43 GLU N N 15 121.775 0.067 . 1 . . 112 . A 43 GLU N . 30457 1 456 . 1 1 44 44 LYS H H 1 8.259 0.011 . 1 . . 193 . A 44 LYS H . 30457 1 457 . 1 1 44 44 LYS HA H 1 3.984 0.011 . 1 . . 371 . A 44 LYS HA . 30457 1 458 . 1 1 44 44 LYS HB2 H 1 1.397 0.009 . 2 . . 372 . A 44 LYS HB2 . 30457 1 459 . 1 1 44 44 LYS HB3 H 1 1.028 0.031 . 2 . . 373 . A 44 LYS HB3 . 30457 1 460 . 1 1 44 44 LYS HG2 H 1 1.117 0.002 . 1 . . 670 . A 44 LYS HG2 . 30457 1 461 . 1 1 44 44 LYS HG3 H 1 1.117 0.002 . 1 . . 669 . A 44 LYS HG3 . 30457 1 462 . 1 1 44 44 LYS HD2 H 1 1.242 0.008 . 1 . . 672 . A 44 LYS HD2 . 30457 1 463 . 1 1 44 44 LYS HD3 H 1 1.240 0.009 . 1 . . 671 . A 44 LYS HD3 . 30457 1 464 . 1 1 44 44 LYS HE2 H 1 2.743 0.008 . 1 . . 667 . A 44 LYS HE2 . 30457 1 465 . 1 1 44 44 LYS HE3 H 1 2.745 0.009 . 1 . . 668 . A 44 LYS HE3 . 30457 1 466 . 1 1 44 44 LYS C C 13 179.104 0.012 . 1 . . 308 . A 44 LYS C . 30457 1 467 . 1 1 44 44 LYS CA C 13 58.359 0.178 . 1 . . 307 . A 44 LYS CA . 30457 1 468 . 1 1 44 44 LYS CB C 13 31.626 0.153 . 1 . . 309 . A 44 LYS CB . 30457 1 469 . 1 1 44 44 LYS CG C 13 24.599 0.031 . 1 . . 623 . A 44 LYS CG . 30457 1 470 . 1 1 44 44 LYS CD C 13 28.262 0.077 . 1 . . 624 . A 44 LYS CD . 30457 1 471 . 1 1 44 44 LYS CE C 13 42.160 0.175 . 1 . . 622 . A 44 LYS CE . 30457 1 472 . 1 1 44 44 LYS N N 15 121.079 0.127 . 1 . . 194 . A 44 LYS N . 30457 1 473 . 1 1 45 45 PHE H H 1 8.752 0.013 . 1 . . 97 . A 45 PHE H . 30457 1 474 . 1 1 45 45 PHE HA H 1 4.081 0.012 . 1 . . 520 . A 45 PHE HA . 30457 1 475 . 1 1 45 45 PHE HB2 H 1 3.008 0.008 . 2 . . 519 . A 45 PHE HB2 . 30457 1 476 . 1 1 45 45 PHE HB3 H 1 3.350 0.015 . 2 . . 518 . A 45 PHE HB3 . 30457 1 477 . 1 1 45 45 PHE HD1 H 1 7.104 0.02 . 1 . . 723 . A 45 PHE HD1 . 30457 1 478 . 1 1 45 45 PHE HD2 H 1 7.104 0.02 . 1 . . 723 . A 45 PHE HD2 . 30457 1 479 . 1 1 45 45 PHE HE1 H 1 7.297 . . 1 . . 724 . A 45 PHE HE1 . 30457 1 480 . 1 1 45 45 PHE HE2 H 1 7.297 . . 1 . . 724 . A 45 PHE HE2 . 30457 1 481 . 1 1 45 45 PHE C C 13 178.447 0.008 . 1 . . 298 . A 45 PHE C . 30457 1 482 . 1 1 45 45 PHE CA C 13 62.030 0.154 . 1 . . 300 . A 45 PHE CA . 30457 1 483 . 1 1 45 45 PHE CB C 13 39.145 0.201 . 1 . . 299 . A 45 PHE CB . 30457 1 484 . 1 1 45 45 PHE CD1 C 13 131.641 . . 1 . . 774 . A 45 PHE CD1 . 30457 1 485 . 1 1 45 45 PHE CD2 C 13 131.641 . . 1 . . 774 . A 45 PHE CD2 . 30457 1 486 . 1 1 45 45 PHE N N 15 118.792 0.059 . 1 . . 98 . A 45 PHE N . 30457 1 487 . 1 1 46 46 LYS H H 1 8.084 0.01 . 1 . . 107 . A 46 LYS H . 30457 1 488 . 1 1 46 46 LYS HA H 1 3.934 0.007 . 1 . . 451 . A 46 LYS HA . 30457 1 489 . 1 1 46 46 LYS HB2 H 1 1.982 0.015 . 1 . . 452 . A 46 LYS HB2 . 30457 1 490 . 1 1 46 46 LYS C C 13 179.093 0.012 . 1 . . 314 . A 46 LYS C . 30457 1 491 . 1 1 46 46 LYS CA C 13 59.955 0.168 . 1 . . 328 . A 46 LYS CA . 30457 1 492 . 1 1 46 46 LYS CB C 13 32.084 0.117 . 1 . . 313 . A 46 LYS CB . 30457 1 493 . 1 1 46 46 LYS N N 15 121.297 0.161 . 1 . . 108 . A 46 LYS N . 30457 1 494 . 1 1 47 47 GLU H H 1 7.746 0.019 . 1 . . 25 . A 47 GLU H . 30457 1 495 . 1 1 47 47 GLU HA H 1 4.091 0.009 . 1 . . 523 . A 47 GLU HA . 30457 1 496 . 1 1 47 47 GLU HB2 H 1 2.087 0.004 . 1 . . 521 . A 47 GLU HB2 . 30457 1 497 . 1 1 47 47 GLU HB3 H 1 2.089 0.001 . 1 . . 522 . A 47 GLU HB3 . 30457 1 498 . 1 1 47 47 GLU HG2 H 1 0.826 0.003 . 1 . . 591 . A 47 GLU HG2 . 30457 1 499 . 1 1 47 47 GLU HG3 H 1 2.088 0.002 . 1 . . 590 . A 47 GLU HG3 . 30457 1 500 . 1 1 47 47 GLU C C 13 180.053 0.016 . 1 . . 316 . A 47 GLU C . 30457 1 501 . 1 1 47 47 GLU CA C 13 59.885 0.118 . 1 . . 329 . A 47 GLU CA . 30457 1 502 . 1 1 47 47 GLU CB C 13 30.026 0.103 . 1 . . 315 . A 47 GLU CB . 30457 1 503 . 1 1 47 47 GLU CG C 13 36.587 0.016 . 1 . . 589 . A 47 GLU CG . 30457 1 504 . 1 1 47 47 GLU N N 15 120.170 0.1 . 1 . . 26 . A 47 GLU N . 30457 1 505 . 1 1 48 48 ILE H H 1 8.224 0.013 . 1 . . 135 . A 48 ILE H . 30457 1 506 . 1 1 48 48 ILE HA H 1 3.714 0.01 . 1 . . 349 . A 48 ILE HA . 30457 1 507 . 1 1 48 48 ILE HB H 1 1.840 0.012 . 1 . . 348 . A 48 ILE HB . 30457 1 508 . 1 1 48 48 ILE HG12 H 1 1.267 0.008 . 2 . . 647 . A 48 ILE HG12 . 30457 1 509 . 1 1 48 48 ILE HG13 H 1 1.760 0.012 . 2 . . 649 . A 48 ILE HG13 . 30457 1 510 . 1 1 48 48 ILE HG21 H 1 0.973 0.015 . 1 . . 644 . A 48 ILE HG21 . 30457 1 511 . 1 1 48 48 ILE HG22 H 1 0.973 0.015 . 1 . . 644 . A 48 ILE HG22 . 30457 1 512 . 1 1 48 48 ILE HG23 H 1 0.973 0.015 . 1 . . 644 . A 48 ILE HG23 . 30457 1 513 . 1 1 48 48 ILE HD11 H 1 0.810 0.014 . 1 . . 648 . A 48 ILE HD11 . 30457 1 514 . 1 1 48 48 ILE HD12 H 1 0.810 0.014 . 1 . . 648 . A 48 ILE HD12 . 30457 1 515 . 1 1 48 48 ILE HD13 H 1 0.810 0.014 . 1 . . 648 . A 48 ILE HD13 . 30457 1 516 . 1 1 48 48 ILE C C 13 177.342 0.017 . 1 . . 282 . A 48 ILE C . 30457 1 517 . 1 1 48 48 ILE CA C 13 64.802 0.155 . 1 . . 283 . A 48 ILE CA . 30457 1 518 . 1 1 48 48 ILE CB C 13 38.499 0.178 . 1 . . 281 . A 48 ILE CB . 30457 1 519 . 1 1 48 48 ILE CG1 C 13 29.141 0.169 . 1 . . 606 . A 48 ILE CG1 . 30457 1 520 . 1 1 48 48 ILE CG2 C 13 19.392 0.206 . 1 . . 561 . A 48 ILE CG2 . 30457 1 521 . 1 1 48 48 ILE CD1 C 13 15.413 0.161 . 1 . . 605 . A 48 ILE CD1 . 30457 1 522 . 1 1 48 48 ILE N N 15 118.189 0.049 . 1 . . 136 . A 48 ILE N . 30457 1 523 . 1 1 49 49 SER H H 1 8.031 0.007 . 1 . . 81 . A 49 SER H . 30457 1 524 . 1 1 49 49 SER HA H 1 3.862 0.006 . 1 . . 709 . A 49 SER HA . 30457 1 525 . 1 1 49 49 SER HB2 H 1 3.771 0.001 . 1 . . 526 . A 49 SER HB2 . 30457 1 526 . 1 1 49 49 SER HB3 H 1 3.761 0.017 . 1 . . 525 . A 49 SER HB3 . 30457 1 527 . 1 1 49 49 SER C C 13 175.973 . . 1 . . 533 . A 49 SER C . 30457 1 528 . 1 1 49 49 SER CA C 13 62.451 0.146 . 1 . . 317 . A 49 SER CA . 30457 1 529 . 1 1 49 49 SER CB C 13 63.982 . . 1 . . 524 . A 49 SER CB . 30457 1 530 . 1 1 49 49 SER N N 15 117.163 0.058 . 1 . . 82 . A 49 SER N . 30457 1 531 . 1 1 50 50 GLU H H 1 7.938 0.007 . 1 . . 240 . A 50 GLU H . 30457 1 532 . 1 1 50 50 GLU HA H 1 3.933 0.007 . 1 . . 414 . A 50 GLU HA . 30457 1 533 . 1 1 50 50 GLU HB2 H 1 1.979 0.017 . 1 . . 415 . A 50 GLU HB2 . 30457 1 534 . 1 1 50 50 GLU HB3 H 1 1.976 0.015 . 1 . . 416 . A 50 GLU HB3 . 30457 1 535 . 1 1 50 50 GLU HG2 H 1 1.962 0.009 . 1 . . 594 . A 50 GLU HG2 . 30457 1 536 . 1 1 50 50 GLU HG3 H 1 1.961 0.009 . 1 . . 593 . A 50 GLU HG3 . 30457 1 537 . 1 1 50 50 GLU C C 13 177.247 0.016 . 1 . . 239 . A 50 GLU C . 30457 1 538 . 1 1 50 50 GLU CA C 13 59.029 0.026 . 1 . . 238 . A 50 GLU CA . 30457 1 539 . 1 1 50 50 GLU CB C 13 29.300 0.063 . 1 . . 237 . A 50 GLU CB . 30457 1 540 . 1 1 50 50 GLU CG C 13 36.625 0.226 . 1 . . 592 . A 50 GLU CG . 30457 1 541 . 1 1 50 50 GLU N N 15 122.993 0.059 . 1 . . 241 . A 50 GLU N . 30457 1 542 . 1 1 51 51 ALA H H 1 7.787 0.007 . 1 . . 75 . A 51 ALA H . 30457 1 543 . 1 1 51 51 ALA HA H 1 3.727 0.015 . 1 . . 435 . A 51 ALA HA . 30457 1 544 . 1 1 51 51 ALA HB1 H 1 1.455 0.012 . 1 . . 436 . A 51 ALA HB1 . 30457 1 545 . 1 1 51 51 ALA HB2 H 1 1.455 0.012 . 1 . . 436 . A 51 ALA HB2 . 30457 1 546 . 1 1 51 51 ALA HB3 H 1 1.455 0.012 . 1 . . 436 . A 51 ALA HB3 . 30457 1 547 . 1 1 51 51 ALA C C 13 178.258 0.012 . 1 . . 269 . A 51 ALA C . 30457 1 548 . 1 1 51 51 ALA CA C 13 55.248 0.162 . 1 . . 268 . A 51 ALA CA . 30457 1 549 . 1 1 51 51 ALA CB C 13 18.981 0.164 . 1 . . 270 . A 51 ALA CB . 30457 1 550 . 1 1 51 51 ALA N N 15 119.713 0.066 . 1 . . 76 . A 51 ALA N . 30457 1 551 . 1 1 52 52 PHE H H 1 7.892 0.006 . 1 . . 31 . A 52 PHE H . 30457 1 552 . 1 1 52 52 PHE HA H 1 3.757 0.024 . 1 . . 411 . A 52 PHE HA . 30457 1 553 . 1 1 52 52 PHE HB2 H 1 2.478 0.007 . 2 . . 413 . A 52 PHE HB2 . 30457 1 554 . 1 1 52 52 PHE HB3 H 1 2.671 0.007 . 2 . . 412 . A 52 PHE HB3 . 30457 1 555 . 1 1 52 52 PHE HD1 H 1 6.665 0.026 . 1 . . 87 . A 52 PHE HD1 . 30457 1 556 . 1 1 52 52 PHE HD2 H 1 6.665 0.026 . 1 . . 87 . A 52 PHE HD2 . 30457 1 557 . 1 1 52 52 PHE C C 13 175.447 0.01 . 1 . . 271 . A 52 PHE C . 30457 1 558 . 1 1 52 52 PHE CA C 13 61.724 0.283 . 1 . . 272 . A 52 PHE CA . 30457 1 559 . 1 1 52 52 PHE CB C 13 39.831 0.214 . 1 . . 288 . A 52 PHE CB . 30457 1 560 . 1 1 52 52 PHE CD1 C 13 131.248 . . 1 . . 773 . A 52 PHE CD1 . 30457 1 561 . 1 1 52 52 PHE CD2 C 13 131.248 . . 1 . . 773 . A 52 PHE CD2 . 30457 1 562 . 1 1 52 52 PHE N N 15 114.435 1.776 . 1 . . 32 . A 52 PHE N . 30457 1 563 . 1 1 53 53 GLU H H 1 7.921 0.015 . 1 . . 33 . A 53 GLU H . 30457 1 564 . 1 1 53 53 GLU HA H 1 3.498 0.012 . 1 . . 420 . A 53 GLU HA . 30457 1 565 . 1 1 53 53 GLU HB2 H 1 1.984 0.016 . 1 . . 422 . A 53 GLU HB2 . 30457 1 566 . 1 1 53 53 GLU HB3 H 1 1.984 0.014 . 1 . . 421 . A 53 GLU HB3 . 30457 1 567 . 1 1 53 53 GLU HG2 H 1 2.173 0.006 . 1 . . 812 . A 53 GLU HG2 . 30457 1 568 . 1 1 53 53 GLU HG3 H 1 2.176 0.007 . 1 . . 813 . A 53 GLU HG3 . 30457 1 569 . 1 1 53 53 GLU C C 13 179.422 0.023 . 1 . . 275 . A 53 GLU C . 30457 1 570 . 1 1 53 53 GLU CA C 13 59.333 0.128 . 1 . . 273 . A 53 GLU CA . 30457 1 571 . 1 1 53 53 GLU CB C 13 29.425 0.123 . 1 . . 274 . A 53 GLU CB . 30457 1 572 . 1 1 53 53 GLU CG C 13 36.522 0.171 . 1 . . 811 . A 53 GLU CG . 30457 1 573 . 1 1 53 53 GLU N N 15 117.841 0.078 . 1 . . 34 . A 53 GLU N . 30457 1 574 . 1 1 54 54 ILE H H 1 7.771 0.011 . 1 . . 88 . A 54 ILE H . 30457 1 575 . 1 1 54 54 ILE HA H 1 3.441 0.012 . 1 . . 434 . A 54 ILE HA . 30457 1 576 . 1 1 54 54 ILE HB H 1 1.382 0.01 . 1 . . 658 . A 54 ILE HB . 30457 1 577 . 1 1 54 54 ILE HG12 H 1 0.746 0.0 . 2 . . 817 . A 54 ILE HG12 . 30457 1 578 . 1 1 54 54 ILE HG13 H 1 1.395 . . 2 . . 818 . A 54 ILE HG13 . 30457 1 579 . 1 1 54 54 ILE HG21 H 1 0.267 0.011 . 1 . . 795 . A 54 ILE HG21 . 30457 1 580 . 1 1 54 54 ILE HG22 H 1 0.267 0.011 . 1 . . 795 . A 54 ILE HG22 . 30457 1 581 . 1 1 54 54 ILE HG23 H 1 0.267 0.011 . 1 . . 795 . A 54 ILE HG23 . 30457 1 582 . 1 1 54 54 ILE HD11 H 1 0.538 0.009 . 1 . . 815 . A 54 ILE HD11 . 30457 1 583 . 1 1 54 54 ILE HD12 H 1 0.538 0.009 . 1 . . 815 . A 54 ILE HD12 . 30457 1 584 . 1 1 54 54 ILE HD13 H 1 0.538 0.009 . 1 . . 815 . A 54 ILE HD13 . 30457 1 585 . 1 1 54 54 ILE C C 13 175.742 0.012 . 1 . . 276 . A 54 ILE C . 30457 1 586 . 1 1 54 54 ILE CA C 13 64.920 0.16 . 1 . . 278 . A 54 ILE CA . 30457 1 587 . 1 1 54 54 ILE CB C 13 37.893 0.203 . 1 . . 277 . A 54 ILE CB . 30457 1 588 . 1 1 54 54 ILE CG1 C 13 29.846 0.164 . 1 . . 609 . A 54 ILE CG1 . 30457 1 589 . 1 1 54 54 ILE CG2 C 13 17.079 0.191 . 1 . . 607 . A 54 ILE CG2 . 30457 1 590 . 1 1 54 54 ILE CD1 C 13 13.611 0.17 . 1 . . 608 . A 54 ILE CD1 . 30457 1 591 . 1 1 54 54 ILE N N 15 117.025 0.057 . 1 . . 89 . A 54 ILE N . 30457 1 592 . 1 1 55 55 LEU H H 1 7.596 0.005 . 1 . . 27 . A 55 LEU H . 30457 1 593 . 1 1 55 55 LEU HA H 1 3.594 0.011 . 1 . . 355 . A 55 LEU HA . 30457 1 594 . 1 1 55 55 LEU HB2 H 1 0.987 0.009 . 2 . . 356 . A 55 LEU HB2 . 30457 1 595 . 1 1 55 55 LEU HB3 H 1 1.447 0.005 . 2 . . 527 . A 55 LEU HB3 . 30457 1 596 . 1 1 55 55 LEU HG H 1 0.027 0.001 . 1 . . 822 . A 55 LEU HG . 30457 1 597 . 1 1 55 55 LEU HD11 H 1 0.174 0.01 . 1 . . 820 . A 55 LEU HD11 . 30457 1 598 . 1 1 55 55 LEU HD12 H 1 0.174 0.01 . 1 . . 820 . A 55 LEU HD12 . 30457 1 599 . 1 1 55 55 LEU HD13 H 1 0.174 0.01 . 1 . . 820 . A 55 LEU HD13 . 30457 1 600 . 1 1 55 55 LEU HD21 H 1 0.179 0.004 . 1 . . 819 . A 55 LEU HD21 . 30457 1 601 . 1 1 55 55 LEU HD22 H 1 0.179 0.004 . 1 . . 819 . A 55 LEU HD22 . 30457 1 602 . 1 1 55 55 LEU HD23 H 1 0.179 0.004 . 1 . . 819 . A 55 LEU HD23 . 30457 1 603 . 1 1 55 55 LEU C C 13 177.196 0.007 . 1 . . 184 . A 55 LEU C . 30457 1 604 . 1 1 55 55 LEU CA C 13 56.742 0.164 . 1 . . 182 . A 55 LEU CA . 30457 1 605 . 1 1 55 55 LEU CB C 13 42.411 0.139 . 1 . . 183 . A 55 LEU CB . 30457 1 606 . 1 1 55 55 LEU CG C 13 25.160 0.007 . 1 . . 651 . A 55 LEU CG . 30457 1 607 . 1 1 55 55 LEU CD1 C 13 23.941 1.242 . 1 . . 588 . A 55 LEU CD1 . 30457 1 608 . 1 1 55 55 LEU CD2 C 13 22.819 0.189 . 1 . . 650 . A 55 LEU CD2 . 30457 1 609 . 1 1 55 55 LEU N N 15 112.446 0.052 . 1 . . 28 . A 55 LEU N . 30457 1 610 . 1 1 56 56 ASN H H 1 8.117 0.008 . 1 . . 13 . A 56 ASN H . 30457 1 611 . 1 1 56 56 ASN HA H 1 4.198 0.004 . 1 . . 405 . A 56 ASN HA . 30457 1 612 . 1 1 56 56 ASN HB2 H 1 1.840 0.006 . 2 . . 406 . A 56 ASN HB2 . 30457 1 613 . 1 1 56 56 ASN HB3 H 1 1.251 0.005 . 2 . . 407 . A 56 ASN HB3 . 30457 1 614 . 1 1 56 56 ASN HD21 H 1 6.997 0.004 . 1 . . 35 . A 56 ASN HD21 . 30457 1 615 . 1 1 56 56 ASN HD22 H 1 6.357 0.004 . 1 . . 90 . A 56 ASN HD22 . 30457 1 616 . 1 1 56 56 ASN C C 13 173.982 0.013 . 1 . . 280 . A 56 ASN C . 30457 1 617 . 1 1 56 56 ASN CA C 13 53.253 0.147 . 1 . . 279 . A 56 ASN CA . 30457 1 618 . 1 1 56 56 ASN CB C 13 39.478 0.192 . 1 . . 287 . A 56 ASN CB . 30457 1 619 . 1 1 56 56 ASN N N 15 113.133 0.043 . 1 . . 14 . A 56 ASN N . 30457 1 620 . 1 1 56 56 ASN ND2 N 15 113.005 0.097 . 1 . . 36 . A 56 ASN ND2 . 30457 1 621 . 1 1 57 57 ASP H H 1 6.920 0.009 . 1 . . 113 . A 57 ASP H . 30457 1 622 . 1 1 57 57 ASP C C 13 173.755 . . 1 . . 286 . A 57 ASP C . 30457 1 623 . 1 1 57 57 ASP CA C 13 50.146 . . 1 . . 285 . A 57 ASP CA . 30457 1 624 . 1 1 57 57 ASP CB C 13 42.594 . . 1 . . 284 . A 57 ASP CB . 30457 1 625 . 1 1 57 57 ASP N N 15 120.550 0.089 . 1 . . 114 . A 57 ASP N . 30457 1 626 . 1 1 58 58 PRO HA H 1 4.139 0.013 . 1 . . 423 . A 58 PRO HA . 30457 1 627 . 1 1 58 58 PRO HB2 H 1 2.377 0.01 . 2 . . 424 . A 58 PRO HB2 . 30457 1 628 . 1 1 58 58 PRO HB3 H 1 1.958 0.015 . 2 . . 425 . A 58 PRO HB3 . 30457 1 629 . 1 1 58 58 PRO HG2 H 1 2.121 0.014 . 1 . . 545 . A 58 PRO HG2 . 30457 1 630 . 1 1 58 58 PRO HG3 H 1 2.124 0.014 . 1 . . 546 . A 58 PRO HG3 . 30457 1 631 . 1 1 58 58 PRO HD2 H 1 3.787 0.01 . 2 . . 549 . A 58 PRO HD2 . 30457 1 632 . 1 1 58 58 PRO HD3 H 1 4.019 0.013 . 2 . . 690 . A 58 PRO HD3 . 30457 1 633 . 1 1 58 58 PRO C C 13 179.563 . . 1 . . 759 . A 58 PRO C . 30457 1 634 . 1 1 58 58 PRO CA C 13 65.538 0.153 . 1 . . 543 . A 58 PRO CA . 30457 1 635 . 1 1 58 58 PRO CB C 13 32.378 0.12 . 1 . . 441 . A 58 PRO CB . 30457 1 636 . 1 1 58 58 PRO CG C 13 27.910 0.094 . 1 . . 544 . A 58 PRO CG . 30457 1 637 . 1 1 58 58 PRO CD C 13 50.552 0.129 . 1 . . 547 . A 58 PRO CD . 30457 1 638 . 1 1 59 59 GLN H H 1 7.838 0.006 . 1 . . 23 . A 59 GLN H . 30457 1 639 . 1 1 59 59 GLN HA H 1 4.225 0.011 . 1 . . 417 . A 59 GLN HA . 30457 1 640 . 1 1 59 59 GLN HB2 H 1 2.128 0.014 . 2 . . 566 . A 59 GLN HB2 . 30457 1 641 . 1 1 59 59 GLN HB3 H 1 2.161 0.01 . 2 . . 567 . A 59 GLN HB3 . 30457 1 642 . 1 1 59 59 GLN HG2 H 1 2.368 0.027 . 2 . . 568 . A 59 GLN HG2 . 30457 1 643 . 1 1 59 59 GLN HG3 H 1 2.443 0.007 . 2 . . 823 . A 59 GLN HG3 . 30457 1 644 . 1 1 59 59 GLN C C 13 179.020 0.019 . 1 . . 320 . A 59 GLN C . 30457 1 645 . 1 1 59 59 GLN CA C 13 59.019 0.116 . 1 . . 318 . A 59 GLN CA . 30457 1 646 . 1 1 59 59 GLN CB C 13 28.983 0.125 . 1 . . 319 . A 59 GLN CB . 30457 1 647 . 1 1 59 59 GLN CG C 13 34.848 0.125 . 1 . . 562 . A 59 GLN CG . 30457 1 648 . 1 1 59 59 GLN N N 15 115.792 0.05 . 1 . . 24 . A 59 GLN N . 30457 1 649 . 1 1 60 60 LYS H H 1 7.931 0.008 . 1 . . 71 . A 60 LYS H . 30457 1 650 . 1 1 60 60 LYS HA H 1 4.018 0.006 . 1 . . 363 . A 60 LYS HA . 30457 1 651 . 1 1 60 60 LYS HB2 H 1 2.387 0.007 . 2 . . 364 . A 60 LYS HB2 . 30457 1 652 . 1 1 60 60 LYS HB3 H 1 1.720 0.008 . 2 . . 365 . A 60 LYS HB3 . 30457 1 653 . 1 1 60 60 LYS HG2 H 1 1.398 0.006 . 1 . . 810 . A 60 LYS HG2 . 30457 1 654 . 1 1 60 60 LYS HG3 H 1 1.397 0.009 . 1 . . 809 . A 60 LYS HG3 . 30457 1 655 . 1 1 60 60 LYS HD2 H 1 1.565 . . 1 . . 808 . A 60 LYS HD2 . 30457 1 656 . 1 1 60 60 LYS HD3 H 1 1.565 . . 1 . . 807 . A 60 LYS HD3 . 30457 1 657 . 1 1 60 60 LYS C C 13 178.592 0.015 . 1 . . 297 . A 60 LYS C . 30457 1 658 . 1 1 60 60 LYS CA C 13 59.901 0.115 . 1 . . 295 . A 60 LYS CA . 30457 1 659 . 1 1 60 60 LYS CB C 13 33.085 0.138 . 1 . . 296 . A 60 LYS CB . 30457 1 660 . 1 1 60 60 LYS CG C 13 25.967 0.026 . 1 . . 805 . A 60 LYS CG . 30457 1 661 . 1 1 60 60 LYS CD C 13 29.841 . . 1 . . 806 . A 60 LYS CD . 30457 1 662 . 1 1 60 60 LYS CE C 13 42.377 . . 1 . . 625 . A 60 LYS CE . 30457 1 663 . 1 1 60 60 LYS N N 15 120.998 0.08 . 1 . . 72 . A 60 LYS N . 30457 1 664 . 1 1 61 61 ARG H H 1 9.243 0.01 . 1 . . 133 . A 61 ARG H . 30457 1 665 . 1 1 61 61 ARG HA H 1 3.642 0.012 . 1 . . 485 . A 61 ARG HA . 30457 1 666 . 1 1 61 61 ARG HB2 H 1 1.091 . . 2 . . 483 . A 61 ARG HB2 . 30457 1 667 . 1 1 61 61 ARG HB3 H 1 2.192 0.014 . 2 . . 484 . A 61 ARG HB3 . 30457 1 668 . 1 1 61 61 ARG HG2 H 1 1.744 0.017 . 1 . . 685 . A 61 ARG HG2 . 30457 1 669 . 1 1 61 61 ARG HG3 H 1 1.754 0.016 . 1 . . 684 . A 61 ARG HG3 . 30457 1 670 . 1 1 61 61 ARG C C 13 177.545 . . 1 . . 531 . A 61 ARG C . 30457 1 671 . 1 1 61 61 ARG CA C 13 60.441 0.144 . 1 . . 321 . A 61 ARG CA . 30457 1 672 . 1 1 61 61 ARG CB C 13 29.902 0.075 . 1 . . 322 . A 61 ARG CB . 30457 1 673 . 1 1 61 61 ARG CG C 13 26.606 0.174 . 1 . . 603 . A 61 ARG CG . 30457 1 674 . 1 1 61 61 ARG CD C 13 44.082 . . 1 . . 604 . A 61 ARG CD . 30457 1 675 . 1 1 61 61 ARG N N 15 121.995 0.073 . 1 . . 134 . A 61 ARG N . 30457 1 676 . 1 1 62 62 GLU H H 1 7.381 0.008 . 1 . . 101 . A 62 GLU H . 30457 1 677 . 1 1 62 62 GLU HA H 1 4.162 0.01 . 1 . . 402 . A 62 GLU HA . 30457 1 678 . 1 1 62 62 GLU HB2 H 1 2.130 0.021 . 1 . . 404 . A 62 GLU HB2 . 30457 1 679 . 1 1 62 62 GLU HB3 H 1 2.131 0.019 . 1 . . 403 . A 62 GLU HB3 . 30457 1 680 . 1 1 62 62 GLU HG2 H 1 2.142 0.012 . 1 . . 597 . A 62 GLU HG2 . 30457 1 681 . 1 1 62 62 GLU HG3 H 1 2.146 0.011 . 1 . . 598 . A 62 GLU HG3 . 30457 1 682 . 1 1 62 62 GLU C C 13 179.609 0.017 . 1 . . 301 . A 62 GLU C . 30457 1 683 . 1 1 62 62 GLU CA C 13 59.701 0.147 . 1 . . 302 . A 62 GLU CA . 30457 1 684 . 1 1 62 62 GLU CB C 13 29.769 0.128 . 1 . . 303 . A 62 GLU CB . 30457 1 685 . 1 1 62 62 GLU CG C 13 36.275 0.002 . 1 . . 595 . A 62 GLU CG . 30457 1 686 . 1 1 62 62 GLU N N 15 116.984 0.031 . 1 . . 102 . A 62 GLU N . 30457 1 687 . 1 1 63 63 ILE H H 1 7.379 0.013 . 1 . . 93 . A 63 ILE H . 30457 1 688 . 1 1 63 63 ILE HA H 1 3.903 0.012 . 1 . . 448 . A 63 ILE HA . 30457 1 689 . 1 1 63 63 ILE HB H 1 1.994 0.016 . 1 . . 447 . A 63 ILE HB . 30457 1 690 . 1 1 63 63 ILE HG12 H 1 1.455 . . 1 . . 828 . A 63 ILE HG12 . 30457 1 691 . 1 1 63 63 ILE HG13 H 1 1.455 . . 1 . . 827 . A 63 ILE HG13 . 30457 1 692 . 1 1 63 63 ILE HG21 H 1 0.834 0.01 . 1 . . 826 . A 63 ILE HG21 . 30457 1 693 . 1 1 63 63 ILE HG22 H 1 0.834 0.01 . 1 . . 826 . A 63 ILE HG22 . 30457 1 694 . 1 1 63 63 ILE HG23 H 1 0.834 0.01 . 1 . . 826 . A 63 ILE HG23 . 30457 1 695 . 1 1 63 63 ILE HD11 H 1 0.818 0.004 . 1 . . 825 . A 63 ILE HD11 . 30457 1 696 . 1 1 63 63 ILE HD12 H 1 0.818 0.004 . 1 . . 825 . A 63 ILE HD12 . 30457 1 697 . 1 1 63 63 ILE HD13 H 1 0.818 0.004 . 1 . . 825 . A 63 ILE HD13 . 30457 1 698 . 1 1 63 63 ILE C C 13 178.114 0.029 . 1 . . 185 . A 63 ILE C . 30457 1 699 . 1 1 63 63 ILE CA C 13 64.634 0.117 . 1 . . 323 . A 63 ILE CA . 30457 1 700 . 1 1 63 63 ILE CB C 13 38.076 0.153 . 1 . . 330 . A 63 ILE CB . 30457 1 701 . 1 1 63 63 ILE CG1 C 13 28.336 0.121 . 1 . . 610 . A 63 ILE CG1 . 30457 1 702 . 1 1 63 63 ILE CG2 C 13 17.811 0.222 . 1 . . 611 . A 63 ILE CG2 . 30457 1 703 . 1 1 63 63 ILE CD1 C 13 12.741 0.135 . 1 . . 612 . A 63 ILE CD1 . 30457 1 704 . 1 1 63 63 ILE N N 15 118.763 0.052 . 1 . . 94 . A 63 ILE N . 30457 1 705 . 1 1 64 64 TYR H H 1 9.102 0.007 . 1 . . 19 . A 64 TYR H . 30457 1 706 . 1 1 64 64 TYR HA H 1 4.100 0.016 . 1 . . 500 . A 64 TYR HA . 30457 1 707 . 1 1 64 64 TYR HB2 H 1 3.098 0.01 . 2 . . 501 . A 64 TYR HB2 . 30457 1 708 . 1 1 64 64 TYR HB3 H 1 2.743 0.009 . 2 . . 502 . A 64 TYR HB3 . 30457 1 709 . 1 1 64 64 TYR HD1 H 1 6.941 0.016 . 1 . . 718 . A 64 TYR HD1 . 30457 1 710 . 1 1 64 64 TYR HD2 H 1 6.941 0.016 . 1 . . 718 . A 64 TYR HD2 . 30457 1 711 . 1 1 64 64 TYR HE1 H 1 6.817 0.006 . 1 . . 719 . A 64 TYR HE1 . 30457 1 712 . 1 1 64 64 TYR HE2 H 1 6.817 0.006 . 1 . . 719 . A 64 TYR HE2 . 30457 1 713 . 1 1 64 64 TYR C C 13 179.340 0.045 . 1 . . 325 . A 64 TYR C . 30457 1 714 . 1 1 64 64 TYR CA C 13 61.662 0.217 . 1 . . 324 . A 64 TYR CA . 30457 1 715 . 1 1 64 64 TYR CB C 13 38.338 0.185 . 1 . . 331 . A 64 TYR CB . 30457 1 716 . 1 1 64 64 TYR N N 15 121.657 0.048 . 1 . . 20 . A 64 TYR N . 30457 1 717 . 1 1 65 65 ASP H H 1 9.253 0.008 . 1 . . 186 . A 65 ASP H . 30457 1 718 . 1 1 65 65 ASP HA H 1 4.596 0.014 . 1 . . 466 . A 65 ASP HA . 30457 1 719 . 1 1 65 65 ASP HB2 H 1 2.630 0.026 . 2 . . 464 . A 65 ASP HB2 . 30457 1 720 . 1 1 65 65 ASP HB3 H 1 2.741 0.034 . 2 . . 465 . A 65 ASP HB3 . 30457 1 721 . 1 1 65 65 ASP C C 13 177.554 0.002 . 1 . . 327 . A 65 ASP C . 30457 1 722 . 1 1 65 65 ASP CA C 13 56.931 0.127 . 1 . . 326 . A 65 ASP CA . 30457 1 723 . 1 1 65 65 ASP CB C 13 40.598 0.227 . 1 . . 243 . A 65 ASP CB . 30457 1 724 . 1 1 65 65 ASP N N 15 122.088 0.078 . 1 . . 187 . A 65 ASP N . 30457 1 725 . 1 1 66 66 GLN H H 1 7.353 0.012 . 1 . . 51 . A 66 GLN H . 30457 1 726 . 1 1 66 66 GLN HA H 1 4.046 0.02 . 1 . . 360 . A 66 GLN HA . 30457 1 727 . 1 1 66 66 GLN HB2 H 1 1.650 0.005 . 2 . . 361 . A 66 GLN HB2 . 30457 1 728 . 1 1 66 66 GLN HB3 H 1 1.204 0.007 . 2 . . 362 . A 66 GLN HB3 . 30457 1 729 . 1 1 66 66 GLN HG2 H 1 2.082 0.007 . 2 . . 572 . A 66 GLN HG2 . 30457 1 730 . 1 1 66 66 GLN HG3 H 1 2.079 0.008 . 1 . . 571 . A 66 GLN HG3 . 30457 1 731 . 1 1 66 66 GLN C C 13 177.326 . . 1 . . 159 . A 66 GLN C . 30457 1 732 . 1 1 66 66 GLN CA C 13 57.713 0.201 . 1 . . 158 . A 66 GLN CA . 30457 1 733 . 1 1 66 66 GLN CB C 13 30.592 0.181 . 1 . . 332 . A 66 GLN CB . 30457 1 734 . 1 1 66 66 GLN CG C 13 33.892 0.143 . 1 . . 560 . A 66 GLN CG . 30457 1 735 . 1 1 66 66 GLN N N 15 114.743 0.062 . 1 . . 52 . A 66 GLN N . 30457 1 736 . 1 1 67 67 TYR H H 1 8.825 0.006 . 1 . . 73 . A 67 TYR H . 30457 1 737 . 1 1 67 67 TYR HA H 1 4.755 0.004 . 1 . . 357 . A 67 TYR HA . 30457 1 738 . 1 1 67 67 TYR HB2 H 1 3.119 0.005 . 2 . . 358 . A 67 TYR HB2 . 30457 1 739 . 1 1 67 67 TYR HB3 H 1 2.647 0.013 . 2 . . 359 . A 67 TYR HB3 . 30457 1 740 . 1 1 67 67 TYR HD1 H 1 7.225 0.01 . 1 . . 717 . A 67 TYR HD1 . 30457 1 741 . 1 1 67 67 TYR HD2 H 1 7.225 0.01 . 1 . . 717 . A 67 TYR HD2 . 30457 1 742 . 1 1 67 67 TYR HE1 H 1 6.807 . . 1 . . 716 . A 67 TYR HE1 . 30457 1 743 . 1 1 67 67 TYR HE2 H 1 6.807 . . 1 . . 716 . A 67 TYR HE2 . 30457 1 744 . 1 1 67 67 TYR C C 13 177.322 . . 1 . . 532 . A 67 TYR C . 30457 1 745 . 1 1 67 67 TYR CA C 13 58.182 0.161 . 1 . . 157 . A 67 TYR CA . 30457 1 746 . 1 1 67 67 TYR CB C 13 41.465 0.207 . 1 . . 333 . A 67 TYR CB . 30457 1 747 . 1 1 67 67 TYR N N 15 113.706 0.043 . 1 . . 74 . A 67 TYR N . 30457 1 748 . 1 1 68 68 GLY H H 1 8.728 0.008 . 1 . . 43 . A 68 GLY H . 30457 1 749 . 1 1 68 68 GLY HA2 H 1 4.466 0.009 . 2 . . 449 . A 68 GLY HA2 . 30457 1 750 . 1 1 68 68 GLY HA3 H 1 3.356 0.005 . 2 . . 450 . A 68 GLY HA3 . 30457 1 751 . 1 1 68 68 GLY C C 13 174.086 . . 1 . . 155 . A 68 GLY C . 30457 1 752 . 1 1 68 68 GLY CA C 13 44.559 0.198 . 1 . . 156 . A 68 GLY CA . 30457 1 753 . 1 1 68 68 GLY N N 15 112.257 0.043 . 1 . . 44 . A 68 GLY N . 30457 1 754 . 1 1 69 69 LEU H H 1 8.655 0.011 . 1 . . 21 . A 69 LEU H . 30457 1 755 . 1 1 69 69 LEU HA H 1 4.098 0.01 . 1 . . 455 . A 69 LEU HA . 30457 1 756 . 1 1 69 69 LEU HB2 H 1 1.876 0.009 . 2 . . 453 . A 69 LEU HB2 . 30457 1 757 . 1 1 69 69 LEU HB3 H 1 2.076 0.002 . 2 . . 454 . A 69 LEU HB3 . 30457 1 758 . 1 1 69 69 LEU HG H 1 0.900 0.004 . 1 . . 832 . A 69 LEU HG . 30457 1 759 . 1 1 69 69 LEU HD11 H 1 0.964 . . 1 . . 829 . A 69 LEU HD11 . 30457 1 760 . 1 1 69 69 LEU HD12 H 1 0.964 . . 1 . . 829 . A 69 LEU HD12 . 30457 1 761 . 1 1 69 69 LEU HD13 H 1 0.964 . . 1 . . 829 . A 69 LEU HD13 . 30457 1 762 . 1 1 69 69 LEU HD21 H 1 0.963 0.001 . 1 . . 831 . A 69 LEU HD21 . 30457 1 763 . 1 1 69 69 LEU HD22 H 1 0.963 0.001 . 1 . . 831 . A 69 LEU HD22 . 30457 1 764 . 1 1 69 69 LEU HD23 H 1 0.963 0.001 . 1 . . 831 . A 69 LEU HD23 . 30457 1 765 . 1 1 69 69 LEU C C 13 174.093 . . 1 . . 261 . A 69 LEU C . 30457 1 766 . 1 1 69 69 LEU CA C 13 59.378 0.028 . 1 . . 154 . A 69 LEU CA . 30457 1 767 . 1 1 69 69 LEU CB C 13 43.460 0.162 . 1 . . 262 . A 69 LEU CB . 30457 1 768 . 1 1 69 69 LEU CG C 13 26.820 0.061 . 1 . . 833 . A 69 LEU CG . 30457 1 769 . 1 1 69 69 LEU CD1 C 13 23.366 0.161 . 1 . . 830 . A 69 LEU CD1 . 30457 1 770 . 1 1 69 69 LEU CD2 C 13 23.356 0.197 . 1 . . 834 . A 69 LEU CD2 . 30457 1 771 . 1 1 69 69 LEU N N 15 119.641 0.054 . 1 . . 22 . A 69 LEU N . 30457 1 772 . 1 1 70 70 GLU H H 1 8.592 0.01 . 1 . . 29 . A 70 GLU H . 30457 1 773 . 1 1 70 70 GLU HA H 1 3.954 0.014 . 1 . . 489 . A 70 GLU HA . 30457 1 774 . 1 1 70 70 GLU HB2 H 1 1.973 0.005 . 1 . . 528 . A 70 GLU HB2 . 30457 1 775 . 1 1 70 70 GLU HB3 H 1 1.970 0.009 . 1 . . 488 . A 70 GLU HB3 . 30457 1 776 . 1 1 70 70 GLU HG2 H 1 1.978 0.003 . 1 . . 559 . A 70 GLU HG2 . 30457 1 777 . 1 1 70 70 GLU HG3 H 1 1.978 0.003 . 1 . . 558 . A 70 GLU HG3 . 30457 1 778 . 1 1 70 70 GLU C C 13 179.828 . . 1 . . 152 . A 70 GLU C . 30457 1 779 . 1 1 70 70 GLU CA C 13 60.077 0.144 . 1 . . 151 . A 70 GLU CA . 30457 1 780 . 1 1 70 70 GLU CB C 13 28.369 0.169 . 1 . . 153 . A 70 GLU CB . 30457 1 781 . 1 1 70 70 GLU CG C 13 36.384 0.02 . 1 . . 599 . A 70 GLU CG . 30457 1 782 . 1 1 70 70 GLU N N 15 117.874 0.045 . 1 . . 30 . A 70 GLU N . 30457 1 783 . 1 1 71 71 ALA H H 1 8.279 0.01 . 1 . . 115 . A 71 ALA H . 30457 1 784 . 1 1 71 71 ALA HA H 1 3.981 0.014 . 1 . . 487 . A 71 ALA HA . 30457 1 785 . 1 1 71 71 ALA HB1 H 1 1.103 0.011 . 1 . . 486 . A 71 ALA HB1 . 30457 1 786 . 1 1 71 71 ALA HB2 H 1 1.103 0.011 . 1 . . 486 . A 71 ALA HB2 . 30457 1 787 . 1 1 71 71 ALA HB3 H 1 1.103 0.011 . 1 . . 486 . A 71 ALA HB3 . 30457 1 788 . 1 1 71 71 ALA C C 13 179.586 . . 1 . . 168 . A 71 ALA C . 30457 1 789 . 1 1 71 71 ALA CA C 13 54.510 0.274 . 1 . . 169 . A 71 ALA CA . 30457 1 790 . 1 1 71 71 ALA CB C 13 19.481 0.191 . 1 . . 167 . A 71 ALA CB . 30457 1 791 . 1 1 71 71 ALA N N 15 121.542 0.18 . 1 . . 116 . A 71 ALA N . 30457 1 792 . 1 1 72 72 ALA H H 1 7.943 0.007 . 1 . . 103 . A 72 ALA H . 30457 1 793 . 1 1 72 72 ALA HA H 1 3.954 0.016 . 1 . . 495 . A 72 ALA HA . 30457 1 794 . 1 1 72 72 ALA HB1 H 1 1.512 0.012 . 1 . . 496 . A 72 ALA HB1 . 30457 1 795 . 1 1 72 72 ALA HB2 H 1 1.512 0.012 . 1 . . 496 . A 72 ALA HB2 . 30457 1 796 . 1 1 72 72 ALA HB3 H 1 1.512 0.012 . 1 . . 496 . A 72 ALA HB3 . 30457 1 797 . 1 1 72 72 ALA C C 13 179.182 . . 1 . . 166 . A 72 ALA C . 30457 1 798 . 1 1 72 72 ALA CA C 13 55.304 0.166 . 1 . . 164 . A 72 ALA CA . 30457 1 799 . 1 1 72 72 ALA CB C 13 18.701 0.136 . 1 . . 165 . A 72 ALA CB . 30457 1 800 . 1 1 72 72 ALA N N 15 120.409 0.065 . 1 . . 104 . A 72 ALA N . 30457 1 801 . 1 1 73 73 ARG H H 1 8.210 0.008 . 1 . . 131 . A 73 ARG H . 30457 1 802 . 1 1 73 73 ARG HA H 1 3.994 0.015 . 1 . . 446 . A 73 ARG HA . 30457 1 803 . 1 1 73 73 ARG HB2 H 1 1.837 0.015 . 2 . . 445 . A 73 ARG HB2 . 30457 1 804 . 1 1 73 73 ARG HB3 H 1 1.839 0.014 . 1 . . 529 . A 73 ARG HB3 . 30457 1 805 . 1 1 73 73 ARG HG2 H 1 1.551 0.012 . 1 . . 803 . A 73 ARG HG2 . 30457 1 806 . 1 1 73 73 ARG HG3 H 1 1.550 0.01 . 1 . . 800 . A 73 ARG HG3 . 30457 1 807 . 1 1 73 73 ARG HD2 H 1 2.975 0.007 . 1 . . 516 . A 73 ARG HD2 . 30457 1 808 . 1 1 73 73 ARG HD3 H 1 2.974 0.008 . 1 . . 798 . A 73 ARG HD3 . 30457 1 809 . 1 1 73 73 ARG HE H 1 10.041 0.004 . 1 . . 835 . A 73 ARG HE . 30457 1 810 . 1 1 73 73 ARG C C 13 178.015 0.014 . 1 . . 176 . A 73 ARG C . 30457 1 811 . 1 1 73 73 ARG CA C 13 58.771 0.219 . 1 . . 175 . A 73 ARG CA . 30457 1 812 . 1 1 73 73 ARG CB C 13 31.579 0.168 . 1 . . 174 . A 73 ARG CB . 30457 1 813 . 1 1 73 73 ARG CG C 13 27.296 0.054 . 1 . . 802 . A 73 ARG CG . 30457 1 814 . 1 1 73 73 ARG CD C 13 44.164 0.302 . 1 . . 683 . A 73 ARG CD . 30457 1 815 . 1 1 73 73 ARG N N 15 116.206 0.054 . 1 . . 132 . A 73 ARG N . 30457 1 816 . 1 1 73 73 ARG NE N 15 120.177 . . 1 . . 836 . A 73 ARG NE . 30457 1 817 . 1 1 74 74 SER H H 1 7.724 0.007 . 1 . . 3 . A 74 SER H . 30457 1 818 . 1 1 74 74 SER HA H 1 4.403 0.006 . 1 . . 497 . A 74 SER HA . 30457 1 819 . 1 1 74 74 SER HB2 H 1 3.922 0.023 . 1 . . 507 . A 74 SER HB2 . 30457 1 820 . 1 1 74 74 SER HB3 H 1 3.928 0.027 . 1 . . 508 . A 74 SER HB3 . 30457 1 821 . 1 1 74 74 SER C C 13 174.912 . . 1 . . 195 . A 74 SER C . 30457 1 822 . 1 1 74 74 SER CA C 13 59.311 0.148 . 1 . . 162 . A 74 SER CA . 30457 1 823 . 1 1 74 74 SER CB C 13 64.204 0.148 . 1 . . 163 . A 74 SER CB . 30457 1 824 . 1 1 74 74 SER N N 15 112.794 0.05 . 1 . . 4 . A 74 SER N . 30457 1 825 . 1 1 75 75 GLY H H 1 7.974 0.005 . 1 . . 137 . A 75 GLY H . 30457 1 826 . 1 1 75 75 GLY HA2 H 1 3.739 0.011 . 2 . . 459 . A 75 GLY HA2 . 30457 1 827 . 1 1 75 75 GLY HA3 H 1 4.136 0.012 . 2 . . 460 . A 75 GLY HA3 . 30457 1 828 . 1 1 75 75 GLY C C 13 173.920 . . 1 . . 160 . A 75 GLY C . 30457 1 829 . 1 1 75 75 GLY CA C 13 45.533 0.136 . 1 . . 161 . A 75 GLY CA . 30457 1 830 . 1 1 75 75 GLY N N 15 109.677 0.044 . 1 . . 138 . A 75 GLY N . 30457 1 831 . 1 1 76 76 GLY H H 1 8.121 0.005 . 1 . . 39 . A 76 GLY H . 30457 1 832 . 1 1 76 76 GLY C C 13 173.922 . . 1 . . 263 . A 76 GLY C . 30457 1 833 . 1 1 76 76 GLY CA C 13 44.545 . . 1 . . 264 . A 76 GLY CA . 30457 1 834 . 1 1 76 76 GLY N N 15 108.581 0.083 . 1 . . 40 . A 76 GLY N . 30457 1 835 . 1 1 77 77 PRO HA H 1 4.153 0.006 . 1 . . 504 . A 77 PRO HA . 30457 1 836 . 1 1 77 77 PRO HB2 H 1 1.619 0.011 . 2 . . 550 . A 77 PRO HB2 . 30457 1 837 . 1 1 77 77 PRO HB3 H 1 1.525 0.001 . 2 . . 551 . A 77 PRO HB3 . 30457 1 838 . 1 1 77 77 PRO CA C 13 62.963 0.186 . 1 . . 443 . A 77 PRO CA . 30457 1 839 . 1 1 77 77 PRO CB C 13 31.996 0.215 . 1 . . 442 . A 77 PRO CB . 30457 1 840 . 1 1 78 78 SER H H 1 8.060 0.008 . 1 . . 763 . A 78 SER H . 30457 1 841 . 1 1 78 78 SER HA H 1 4.306 0.008 . 1 . . 539 . A 78 SER HA . 30457 1 842 . 1 1 78 78 SER HB2 H 1 3.687 0.015 . 1 . . 538 . A 78 SER HB2 . 30457 1 843 . 1 1 78 78 SER HB3 H 1 3.681 0.004 . 1 . . 536 . A 78 SER HB3 . 30457 1 844 . 1 1 78 78 SER C C 13 173.983 . . 1 . . 760 . A 78 SER C . 30457 1 845 . 1 1 78 78 SER CA C 13 57.972 0.156 . 1 . . 540 . A 78 SER CA . 30457 1 846 . 1 1 78 78 SER CB C 13 63.537 0.152 . 1 . . 537 . A 78 SER CB . 30457 1 847 . 1 1 78 78 SER N N 15 115.238 0.051 . 1 . . 764 . A 78 SER N . 30457 1 848 . 1 1 79 79 PHE H H 1 8.069 0.006 . 1 . . 188 . A 79 PHE H . 30457 1 849 . 1 1 79 79 PHE HA H 1 4.642 0.012 . 1 . . 431 . A 79 PHE HA . 30457 1 850 . 1 1 79 79 PHE HB2 H 1 2.921 0.003 . 2 . . 433 . A 79 PHE HB2 . 30457 1 851 . 1 1 79 79 PHE HB3 H 1 3.145 0.005 . 2 . . 432 . A 79 PHE HB3 . 30457 1 852 . 1 1 79 79 PHE HD1 H 1 7.183 0.002 . 1 . . 775 . A 79 PHE HD1 . 30457 1 853 . 1 1 79 79 PHE HD2 H 1 7.183 0.002 . 1 . . 775 . A 79 PHE HD2 . 30457 1 854 . 1 1 79 79 PHE C C 13 175.623 0.007 . 1 . . 248 . A 79 PHE C . 30457 1 855 . 1 1 79 79 PHE CA C 13 57.455 0.086 . 1 . . 246 . A 79 PHE CA . 30457 1 856 . 1 1 79 79 PHE CB C 13 39.887 0.131 . 1 . . 247 . A 79 PHE CB . 30457 1 857 . 1 1 79 79 PHE CD1 C 13 131.516 . . 1 . . 776 . A 79 PHE CD1 . 30457 1 858 . 1 1 79 79 PHE CD2 C 13 131.516 . . 1 . . 776 . A 79 PHE CD2 . 30457 1 859 . 1 1 79 79 PHE N N 15 121.651 0.194 . 1 . . 189 . A 79 PHE N . 30457 1 860 . 1 1 80 80 GLY H H 1 8.061 0.006 . 1 . . 55 . A 80 GLY H . 30457 1 861 . 1 1 80 80 GLY C C 13 182.695 . . 1 . . 761 . A 80 GLY C . 30457 1 862 . 1 1 80 80 GLY CA C 13 44.434 . . 1 . . 245 . A 80 GLY CA . 30457 1 863 . 1 1 80 80 GLY N N 15 110.669 0.051 . 1 . . 56 . A 80 GLY N . 30457 1 stop_ save_