data_34439 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34439 _Entry.Title ; NMR structure of repeat domain 13 of the fibrillar adhesin CshA from Streptococcus gordonii. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-02 _Entry.Accession_date 2019-10-02 _Entry.Last_release_date 2019-10-25 _Entry.Original_release_date 2019-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.6.0 _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' 34439 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 V. Higman V. A. . . 34439 2 C. Back C. . . . 34439 3 M. Crump M. P. . . 34439 4 P. Race P. . . . 34439 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Adhesin . 34439 Fibril . 34439 Novel . 34439 'Repeat domain' . 34439 Streptococcus . 34439 'cell adhesion' . 34439 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34439 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 34439 '15N chemical shifts' 61 34439 '1H chemical shifts' 483 34439 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-08-16 2019-10-02 update BMRB 'update entry citation' 34439 1 . . 2020-04-03 2019-10-02 original author 'original release' 34439 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SZC . 34439 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34439 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32229583 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The streptococcal multidomain fibrillar adhesin CshA has an elongated polymeric architecture ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 295 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 6689 _Citation.Page_last 6699 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Back C. R. . . 34439 1 2 V. Higman V. A. . . 34439 1 3 K. LeVay K. . . . 34439 1 4 V. Patel V. V. . . 34439 1 5 A. Parnell A. E. . . 34439 1 6 D. Frankel D. . . . 34439 1 7 H. Jenkinson H. F. . . 34439 1 8 S. Burston S. G. . . 34439 1 9 M. Crump M. P. . . 34439 1 10 A. Nobbs A. H. . . 34439 1 11 P. Race P. R. . . 34439 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34439 _Assembly.ID 1 _Assembly.Name 'Surface-associated protein CshA' _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 . . . . . . 34439 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34439 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Surface-associated protein CshA' _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 ; MAHHHHHHSSGLEVLFQGPT GTGATSTGPQGLPQTGTPTF QGGDPLVPIDETVEPTFEDG SKEKTIPGQGTYTIVPDGTV TFTPDKQFVGKPDPVTVKRV DKNGTPVTATYSPEFTKV ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12480.738 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Sample sequence includes N-terminal His-tag and disordered N-terminal of the polypeptide.' _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 2013 MET . 34439 1 2 2014 ALA . 34439 1 3 2015 HIS . 34439 1 4 2016 HIS . 34439 1 5 2017 HIS . 34439 1 6 2018 HIS . 34439 1 7 2019 HIS . 34439 1 8 2020 HIS . 34439 1 9 2021 SER . 34439 1 10 2022 SER . 34439 1 11 2023 GLY . 34439 1 12 2024 LEU . 34439 1 13 2025 GLU . 34439 1 14 2026 VAL . 34439 1 15 2027 LEU . 34439 1 16 2028 PHE . 34439 1 17 2029 GLN . 34439 1 18 2030 GLY . 34439 1 19 2031 PRO . 34439 1 20 2032 THR . 34439 1 21 2033 GLY . 34439 1 22 2034 THR . 34439 1 23 2035 GLY . 34439 1 24 2036 ALA . 34439 1 25 2037 THR . 34439 1 26 2038 SER . 34439 1 27 2039 THR . 34439 1 28 2040 GLY . 34439 1 29 2041 PRO . 34439 1 30 2042 GLN . 34439 1 31 2043 GLY . 34439 1 32 2044 LEU . 34439 1 33 2045 PRO . 34439 1 34 2046 GLN . 34439 1 35 2047 THR . 34439 1 36 2048 GLY . 34439 1 37 2049 THR . 34439 1 38 2050 PRO . 34439 1 39 2051 THR . 34439 1 40 2052 PHE . 34439 1 41 2053 GLN . 34439 1 42 2054 GLY . 34439 1 43 2055 GLY . 34439 1 44 2056 ASP . 34439 1 45 2057 PRO . 34439 1 46 2058 LEU . 34439 1 47 2059 VAL . 34439 1 48 2060 PRO . 34439 1 49 2061 ILE . 34439 1 50 2062 ASP . 34439 1 51 2063 GLU . 34439 1 52 2064 THR . 34439 1 53 2065 VAL . 34439 1 54 2066 GLU . 34439 1 55 2067 PRO . 34439 1 56 2068 THR . 34439 1 57 2069 PHE . 34439 1 58 2070 GLU . 34439 1 59 2071 ASP . 34439 1 60 2072 GLY . 34439 1 61 2073 SER . 34439 1 62 2074 LYS . 34439 1 63 2075 GLU . 34439 1 64 2076 LYS . 34439 1 65 2077 THR . 34439 1 66 2078 ILE . 34439 1 67 2079 PRO . 34439 1 68 2080 GLY . 34439 1 69 2081 GLN . 34439 1 70 2082 GLY . 34439 1 71 2083 THR . 34439 1 72 2084 TYR . 34439 1 73 2085 THR . 34439 1 74 2086 ILE . 34439 1 75 2087 VAL . 34439 1 76 2088 PRO . 34439 1 77 2089 ASP . 34439 1 78 2090 GLY . 34439 1 79 2091 THR . 34439 1 80 2092 VAL . 34439 1 81 2093 THR . 34439 1 82 2094 PHE . 34439 1 83 2095 THR . 34439 1 84 2096 PRO . 34439 1 85 2097 ASP . 34439 1 86 2098 LYS . 34439 1 87 2099 GLN . 34439 1 88 2100 PHE . 34439 1 89 2101 VAL . 34439 1 90 2102 GLY . 34439 1 91 2103 LYS . 34439 1 92 2104 PRO . 34439 1 93 2105 ASP . 34439 1 94 2106 PRO . 34439 1 95 2107 VAL . 34439 1 96 2108 THR . 34439 1 97 2109 VAL . 34439 1 98 2110 LYS . 34439 1 99 2111 ARG . 34439 1 100 2112 VAL . 34439 1 101 2113 ASP . 34439 1 102 2114 LYS . 34439 1 103 2115 ASN . 34439 1 104 2116 GLY . 34439 1 105 2117 THR . 34439 1 106 2118 PRO . 34439 1 107 2119 VAL . 34439 1 108 2120 THR . 34439 1 109 2121 ALA . 34439 1 110 2122 THR . 34439 1 111 2123 TYR . 34439 1 112 2124 SER . 34439 1 113 2125 PRO . 34439 1 114 2126 GLU . 34439 1 115 2127 PHE . 34439 1 116 2128 THR . 34439 1 117 2129 LYS . 34439 1 118 2130 VAL . 34439 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 . MET 1 1 34439 1 . ALA 2 2 34439 1 . HIS 3 3 34439 1 . HIS 4 4 34439 1 . HIS 5 5 34439 1 . HIS 6 6 34439 1 . HIS 7 7 34439 1 . HIS 8 8 34439 1 . SER 9 9 34439 1 . SER 10 10 34439 1 . GLY 11 11 34439 1 . LEU 12 12 34439 1 . GLU 13 13 34439 1 . VAL 14 14 34439 1 . LEU 15 15 34439 1 . PHE 16 16 34439 1 . GLN 17 17 34439 1 . GLY 18 18 34439 1 . PRO 19 19 34439 1 . THR 20 20 34439 1 . GLY 21 21 34439 1 . THR 22 22 34439 1 . GLY 23 23 34439 1 . ALA 24 24 34439 1 . THR 25 25 34439 1 . SER 26 26 34439 1 . THR 27 27 34439 1 . GLY 28 28 34439 1 . PRO 29 29 34439 1 . GLN 30 30 34439 1 . GLY 31 31 34439 1 . LEU 32 32 34439 1 . PRO 33 33 34439 1 . GLN 34 34 34439 1 . THR 35 35 34439 1 . GLY 36 36 34439 1 . THR 37 37 34439 1 . PRO 38 38 34439 1 . THR 39 39 34439 1 . PHE 40 40 34439 1 . GLN 41 41 34439 1 . GLY 42 42 34439 1 . GLY 43 43 34439 1 . ASP 44 44 34439 1 . PRO 45 45 34439 1 . LEU 46 46 34439 1 . VAL 47 47 34439 1 . PRO 48 48 34439 1 . ILE 49 49 34439 1 . ASP 50 50 34439 1 . GLU 51 51 34439 1 . THR 52 52 34439 1 . VAL 53 53 34439 1 . GLU 54 54 34439 1 . PRO 55 55 34439 1 . THR 56 56 34439 1 . PHE 57 57 34439 1 . GLU 58 58 34439 1 . ASP 59 59 34439 1 . GLY 60 60 34439 1 . SER 61 61 34439 1 . LYS 62 62 34439 1 . GLU 63 63 34439 1 . LYS 64 64 34439 1 . THR 65 65 34439 1 . ILE 66 66 34439 1 . PRO 67 67 34439 1 . GLY 68 68 34439 1 . GLN 69 69 34439 1 . GLY 70 70 34439 1 . THR 71 71 34439 1 . TYR 72 72 34439 1 . THR 73 73 34439 1 . ILE 74 74 34439 1 . VAL 75 75 34439 1 . PRO 76 76 34439 1 . ASP 77 77 34439 1 . GLY 78 78 34439 1 . THR 79 79 34439 1 . VAL 80 80 34439 1 . THR 81 81 34439 1 . PHE 82 82 34439 1 . THR 83 83 34439 1 . PRO 84 84 34439 1 . ASP 85 85 34439 1 . LYS 86 86 34439 1 . GLN 87 87 34439 1 . PHE 88 88 34439 1 . VAL 89 89 34439 1 . GLY 90 90 34439 1 . LYS 91 91 34439 1 . PRO 92 92 34439 1 . ASP 93 93 34439 1 . PRO 94 94 34439 1 . VAL 95 95 34439 1 . THR 96 96 34439 1 . VAL 97 97 34439 1 . LYS 98 98 34439 1 . ARG 99 99 34439 1 . VAL 100 100 34439 1 . ASP 101 101 34439 1 . LYS 102 102 34439 1 . ASN 103 103 34439 1 . GLY 104 104 34439 1 . THR 105 105 34439 1 . PRO 106 106 34439 1 . VAL 107 107 34439 1 . THR 108 108 34439 1 . ALA 109 109 34439 1 . THR 110 110 34439 1 . TYR 111 111 34439 1 . SER 112 112 34439 1 . PRO 113 113 34439 1 . GLU 114 114 34439 1 . PHE 115 115 34439 1 . THR 116 116 34439 1 . LYS 117 117 34439 1 . VAL 118 118 34439 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 34439 _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 . 467705 organism . 'Streptococcus gordonii' 'Streptococcus gordonii' . . Bacteria . Streptococcus gordonii 'Challis / ATCC 35105 / BCRC 15272 / CH1 / DL1 / V288' . . . . . . . . . . 'cshA, SGO_0854' . 34439 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 34439 _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 . . . . . . . . pOPINF . . . 34439 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34439 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mg/mL [U-15N] CshA_RD13, 50 mM sodium chloride, 20 mM potassium phosphate, 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 CshA_RD13 [U-15N] . . 1 $entity_1 . . 20 . . mg/mL . . . . 34439 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34439 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34439 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34439 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mg/mL [U-13C; U-15N] CshA_RD13, 50 mM sodium chloride, 20 mM potassium phosphate, 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 CshA_RD13 '[U-13C; U-15N]' . . 1 $entity_1 . . 20 . . mg/mL . . . . 34439 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34439 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34439 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34439 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mg/mL [U-15N] CshA_RD13, 50 mM sodium chloride, 20 mM potassium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CshA_RD13 [U-15N] . . 1 $entity_1 . . 20 . . mg/mL . . . . 34439 3 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34439 3 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34439 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34439 _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' 70 . mM 34439 1 pH 7.5 . pH 34439 1 pressure 1 . atm 34439 1 temperature 293 . K 34439 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34439 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34439 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34439 1 . 'peak picking' 34439 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34439 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34439 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34439 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34439 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with cryogenic cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 34439 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with cryogenic cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34439 _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 Varian VNMRS . 600 . . . 34439 1 2 NMR_spectrometer_2 Varian INOVA . 900 . . . 34439 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 34439 _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 . . . . . . . . . . . . . . . . 34439 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 8 HN(CA)CO no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 11 '15N TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 12 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 13 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 14 '13C NOESY-HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 15 '15N NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34439 1 16 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34439 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 18 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 1 19 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34439 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 34439 _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 . . . . . 34439 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34439 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34439 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 34439 _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' . . . 34439 1 2 '3D HNCACB' . . . 34439 1 3 '3D CBCA(CO)NH' . . . 34439 1 4 '3D HNCA' . . . 34439 1 5 '3D HNHA' . . . 34439 1 6 '3D HN(CO)CA' . . . 34439 1 7 '3D HNCO' . . . 34439 1 8 HN(CA)CO . . . 34439 1 9 '3D C(CO)NH' . . . 34439 1 10 '3D HCCH-TOCSY' . . . 34439 1 11 '15N TOCSY-HSQC' . . . 34439 1 12 '15N NOESY-HSQC' . . . 34439 1 13 '13C NOESY-HSQC' . . . 34439 1 14 '13C NOESY-HSQC aromatic' . . . 34439 1 15 '15N NOESY-HSQC' . . . 34439 1 16 '13C NOESY-HSQC' . . . 34439 1 17 '2D 1H-15N HSQC' . . . 34439 1 18 '2D 1H-1H TOCSY' . . . 34439 1 19 '2D 1H-1H NOESY' . . . 34439 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 43 43 GLY H H 1 8.460 0.008 . 1 . . . . A 2055 GLY H . 34439 1 2 . 1 . 1 43 43 GLY HA2 H 1 3.817 0.007 . 2 . . . . A 2055 GLY HA2 . 34439 1 3 . 1 . 1 43 43 GLY HA3 H 1 3.966 0.016 . 2 . . . . A 2055 GLY HA3 . 34439 1 4 . 1 . 1 43 43 GLY C C 13 173.570 0.000 . 1 . . . . A 2055 GLY C . 34439 1 5 . 1 . 1 43 43 GLY CA C 13 46.413 0.213 . 1 . . . . A 2055 GLY CA . 34439 1 6 . 1 . 1 43 43 GLY N N 15 108.467 0.030 . 1 . . . . A 2055 GLY N . 34439 1 7 . 1 . 1 44 44 ASP H H 1 8.612 0.006 . 1 . . . . A 2056 ASP H . 34439 1 8 . 1 . 1 44 44 ASP HA H 1 4.858 0.014 . 1 . . . . A 2056 ASP HA . 34439 1 9 . 1 . 1 44 44 ASP HB2 H 1 2.481 0.014 . 2 . . . . A 2056 ASP HB2 . 34439 1 10 . 1 . 1 44 44 ASP HB3 H 1 2.786 0.009 . 2 . . . . A 2056 ASP HB3 . 34439 1 11 . 1 . 1 44 44 ASP C C 13 175.870 0.000 . 1 . . . . A 2056 ASP C . 34439 1 12 . 1 . 1 44 44 ASP CA C 13 52.149 0.140 . 1 . . . . A 2056 ASP CA . 34439 1 13 . 1 . 1 44 44 ASP CB C 13 43.519 0.066 . 1 . . . . A 2056 ASP CB . 34439 1 14 . 1 . 1 44 44 ASP N N 15 122.069 0.028 . 1 . . . . A 2056 ASP N . 34439 1 15 . 1 . 1 45 45 PRO HA H 1 4.299 0.009 . 1 . . . . A 2057 PRO HA . 34439 1 16 . 1 . 1 45 45 PRO HB2 H 1 1.912 0.010 . 2 . . . . A 2057 PRO HB2 . 34439 1 17 . 1 . 1 45 45 PRO HB3 H 1 2.308 0.007 . 2 . . . . A 2057 PRO HB3 . 34439 1 18 . 1 . 1 45 45 PRO HG2 H 1 1.926 0.013 . 2 . . . . A 2057 PRO HG2 . 34439 1 19 . 1 . 1 45 45 PRO HG3 H 1 1.925 0.014 . 2 . . . . A 2057 PRO HG3 . 34439 1 20 . 1 . 1 45 45 PRO HD2 H 1 3.830 0.009 . 2 . . . . A 2057 PRO HD2 . 34439 1 21 . 1 . 1 45 45 PRO HD3 H 1 3.846 0.008 . 2 . . . . A 2057 PRO HD3 . 34439 1 22 . 1 . 1 45 45 PRO C C 13 177.606 0.000 . 1 . . . . A 2057 PRO C . 34439 1 23 . 1 . 1 45 45 PRO CA C 13 65.250 0.108 . 1 . . . . A 2057 PRO CA . 34439 1 24 . 1 . 1 45 45 PRO CB C 13 33.410 0.129 . 1 . . . . A 2057 PRO CB . 34439 1 25 . 1 . 1 45 45 PRO CG C 13 28.670 0.276 . 1 . . . . A 2057 PRO CG . 34439 1 26 . 1 . 1 45 45 PRO CD C 13 52.507 0.120 . 1 . . . . A 2057 PRO CD . 34439 1 27 . 1 . 1 46 46 LEU H H 1 8.575 0.004 . 1 . . . . A 2058 LEU H . 34439 1 28 . 1 . 1 46 46 LEU HA H 1 4.268 0.006 . 1 . . . . A 2058 LEU HA . 34439 1 29 . 1 . 1 46 46 LEU HB2 H 1 1.762 0.009 . 2 . . . . A 2058 LEU HB2 . 34439 1 30 . 1 . 1 46 46 LEU HB3 H 1 1.589 0.010 . 2 . . . . A 2058 LEU HB3 . 34439 1 31 . 1 . 1 46 46 LEU HG H 1 1.590 0.009 . 1 . . . . A 2058 LEU HG . 34439 1 32 . 1 . 1 46 46 LEU HD11 H 1 0.817 0.006 . 2 . . . . A 2058 LEU HD11 . 34439 1 33 . 1 . 1 46 46 LEU HD12 H 1 0.817 0.006 . 2 . . . . A 2058 LEU HD12 . 34439 1 34 . 1 . 1 46 46 LEU HD13 H 1 0.817 0.006 . 2 . . . . A 2058 LEU HD13 . 34439 1 35 . 1 . 1 46 46 LEU HD21 H 1 0.914 0.004 . 2 . . . . A 2058 LEU HD21 . 34439 1 36 . 1 . 1 46 46 LEU HD22 H 1 0.914 0.004 . 2 . . . . A 2058 LEU HD22 . 34439 1 37 . 1 . 1 46 46 LEU HD23 H 1 0.914 0.004 . 2 . . . . A 2058 LEU HD23 . 34439 1 38 . 1 . 1 46 46 LEU C C 13 177.417 0.018 . 1 . . . . A 2058 LEU C . 34439 1 39 . 1 . 1 46 46 LEU CA C 13 56.184 0.155 . 1 . . . . A 2058 LEU CA . 34439 1 40 . 1 . 1 46 46 LEU CB C 13 42.643 0.157 . 1 . . . . A 2058 LEU CB . 34439 1 41 . 1 . 1 46 46 LEU CG C 13 28.441 0.126 . 1 . . . . A 2058 LEU CG . 34439 1 42 . 1 . 1 46 46 LEU CD1 C 13 23.583 0.083 . 2 . . . . A 2058 LEU CD1 . 34439 1 43 . 1 . 1 46 46 LEU CD2 C 13 26.265 0.114 . 2 . . . . A 2058 LEU CD2 . 34439 1 44 . 1 . 1 46 46 LEU N N 15 117.159 0.040 . 1 . . . . A 2058 LEU N . 34439 1 45 . 1 . 1 47 47 VAL H H 1 7.945 0.007 . 1 . . . . A 2059 VAL H . 34439 1 46 . 1 . 1 47 47 VAL HA H 1 4.386 0.005 . 1 . . . . A 2059 VAL HA . 34439 1 47 . 1 . 1 47 47 VAL HB H 1 2.156 0.006 . 1 . . . . A 2059 VAL HB . 34439 1 48 . 1 . 1 47 47 VAL HG11 H 1 0.873 0.005 . 2 . . . . A 2059 VAL HG11 . 34439 1 49 . 1 . 1 47 47 VAL HG12 H 1 0.873 0.005 . 2 . . . . A 2059 VAL HG12 . 34439 1 50 . 1 . 1 47 47 VAL HG13 H 1 0.873 0.005 . 2 . . . . A 2059 VAL HG13 . 34439 1 51 . 1 . 1 47 47 VAL HG21 H 1 0.766 0.006 . 2 . . . . A 2059 VAL HG21 . 34439 1 52 . 1 . 1 47 47 VAL HG22 H 1 0.766 0.006 . 2 . . . . A 2059 VAL HG22 . 34439 1 53 . 1 . 1 47 47 VAL HG23 H 1 0.766 0.006 . 2 . . . . A 2059 VAL HG23 . 34439 1 54 . 1 . 1 47 47 VAL C C 13 172.273 0.000 . 1 . . . . A 2059 VAL C . 34439 1 55 . 1 . 1 47 47 VAL CA C 13 60.807 0.159 . 1 . . . . A 2059 VAL CA . 34439 1 56 . 1 . 1 47 47 VAL CB C 13 33.959 0.178 . 1 . . . . A 2059 VAL CB . 34439 1 57 . 1 . 1 47 47 VAL CG1 C 13 23.457 0.148 . 2 . . . . A 2059 VAL CG1 . 34439 1 58 . 1 . 1 47 47 VAL CG2 C 13 21.455 0.138 . 2 . . . . A 2059 VAL CG2 . 34439 1 59 . 1 . 1 47 47 VAL N N 15 121.446 0.024 . 1 . . . . A 2059 VAL N . 34439 1 60 . 1 . 1 48 48 PRO HA H 1 4.629 0.012 . 1 . . . . A 2060 PRO HA . 34439 1 61 . 1 . 1 48 48 PRO HB2 H 1 2.021 0.005 . 2 . . . . A 2060 PRO HB2 . 34439 1 62 . 1 . 1 48 48 PRO HB3 H 1 2.312 0.012 . 2 . . . . A 2060 PRO HB3 . 34439 1 63 . 1 . 1 48 48 PRO HG2 H 1 1.978 0.007 . 2 . . . . A 2060 PRO HG2 . 34439 1 64 . 1 . 1 48 48 PRO HG3 H 1 1.784 0.008 . 2 . . . . A 2060 PRO HG3 . 34439 1 65 . 1 . 1 48 48 PRO HD2 H 1 3.498 0.008 . 2 . . . . A 2060 PRO HD2 . 34439 1 66 . 1 . 1 48 48 PRO HD3 H 1 3.620 0.013 . 2 . . . . A 2060 PRO HD3 . 34439 1 67 . 1 . 1 48 48 PRO C C 13 176.108 0.000 . 1 . . . . A 2060 PRO C . 34439 1 68 . 1 . 1 48 48 PRO CA C 13 63.343 0.155 . 1 . . . . A 2060 PRO CA . 34439 1 69 . 1 . 1 48 48 PRO CB C 13 34.307 0.101 . 1 . . . . A 2060 PRO CB . 34439 1 70 . 1 . 1 48 48 PRO CG C 13 28.277 0.122 . 1 . . . . A 2060 PRO CG . 34439 1 71 . 1 . 1 48 48 PRO CD C 13 51.827 0.063 . 1 . . . . A 2060 PRO CD . 34439 1 72 . 1 . 1 49 49 ILE H H 1 8.271 0.004 . 1 . . . . A 2061 ILE H . 34439 1 73 . 1 . 1 49 49 ILE HA H 1 3.742 0.009 . 1 . . . . A 2061 ILE HA . 34439 1 74 . 1 . 1 49 49 ILE HB H 1 1.891 0.012 . 1 . . . . A 2061 ILE HB . 34439 1 75 . 1 . 1 49 49 ILE HG12 H 1 1.291 0.008 . 2 . . . . A 2061 ILE HG12 . 34439 1 76 . 1 . 1 49 49 ILE HG13 H 1 1.468 0.007 . 2 . . . . A 2061 ILE HG13 . 34439 1 77 . 1 . 1 49 49 ILE HG21 H 1 0.586 0.006 . 1 . . . . A 2061 ILE HG21 . 34439 1 78 . 1 . 1 49 49 ILE HG22 H 1 0.586 0.006 . 1 . . . . A 2061 ILE HG22 . 34439 1 79 . 1 . 1 49 49 ILE HG23 H 1 0.586 0.006 . 1 . . . . A 2061 ILE HG23 . 34439 1 80 . 1 . 1 49 49 ILE HD11 H 1 0.455 0.008 . 1 . . . . A 2061 ILE HD11 . 34439 1 81 . 1 . 1 49 49 ILE HD12 H 1 0.455 0.008 . 1 . . . . A 2061 ILE HD12 . 34439 1 82 . 1 . 1 49 49 ILE HD13 H 1 0.455 0.008 . 1 . . . . A 2061 ILE HD13 . 34439 1 83 . 1 . 1 49 49 ILE C C 13 175.819 0.039 . 1 . . . . A 2061 ILE C . 34439 1 84 . 1 . 1 49 49 ILE CA C 13 60.905 0.143 . 1 . . . . A 2061 ILE CA . 34439 1 85 . 1 . 1 49 49 ILE CB C 13 37.933 0.205 . 1 . . . . A 2061 ILE CB . 34439 1 86 . 1 . 1 49 49 ILE CG1 C 13 28.452 0.116 . 1 . . . . A 2061 ILE CG1 . 34439 1 87 . 1 . 1 49 49 ILE CG2 C 13 18.849 0.172 . 1 . . . . A 2061 ILE CG2 . 34439 1 88 . 1 . 1 49 49 ILE CD1 C 13 11.345 0.116 . 1 . . . . A 2061 ILE CD1 . 34439 1 89 . 1 . 1 49 49 ILE N N 15 118.350 0.037 . 1 . . . . A 2061 ILE N . 34439 1 90 . 1 . 1 50 50 ASP H H 1 9.008 0.006 . 1 . . . . A 2062 ASP H . 34439 1 91 . 1 . 1 50 50 ASP HA H 1 4.467 0.006 . 1 . . . . A 2062 ASP HA . 34439 1 92 . 1 . 1 50 50 ASP HB2 H 1 1.790 0.008 . 2 . . . . A 2062 ASP HB2 . 34439 1 93 . 1 . 1 50 50 ASP HB3 H 1 2.905 0.006 . 2 . . . . A 2062 ASP HB3 . 34439 1 94 . 1 . 1 50 50 ASP C C 13 176.524 0.004 . 1 . . . . A 2062 ASP C . 34439 1 95 . 1 . 1 50 50 ASP CA C 13 54.041 0.195 . 1 . . . . A 2062 ASP CA . 34439 1 96 . 1 . 1 50 50 ASP CB C 13 41.856 0.127 . 1 . . . . A 2062 ASP CB . 34439 1 97 . 1 . 1 50 50 ASP N N 15 124.086 0.032 . 1 . . . . A 2062 ASP N . 34439 1 98 . 1 . 1 51 51 GLU H H 1 9.124 0.006 . 1 . . . . A 2063 GLU H . 34439 1 99 . 1 . 1 51 51 GLU HA H 1 4.072 0.010 . 1 . . . . A 2063 GLU HA . 34439 1 100 . 1 . 1 51 51 GLU HB2 H 1 1.927 0.009 . 2 . . . . A 2063 GLU HB2 . 34439 1 101 . 1 . 1 51 51 GLU HB3 H 1 2.202 0.006 . 2 . . . . A 2063 GLU HB3 . 34439 1 102 . 1 . 1 51 51 GLU HG2 H 1 2.089 0.009 . 2 . . . . A 2063 GLU HG2 . 34439 1 103 . 1 . 1 51 51 GLU HG3 H 1 2.323 0.010 . 2 . . . . A 2063 GLU HG3 . 34439 1 104 . 1 . 1 51 51 GLU C C 13 176.921 0.044 . 1 . . . . A 2063 GLU C . 34439 1 105 . 1 . 1 51 51 GLU CA C 13 58.773 0.213 . 1 . . . . A 2063 GLU CA . 34439 1 106 . 1 . 1 51 51 GLU CB C 13 29.944 0.176 . 1 . . . . A 2063 GLU CB . 34439 1 107 . 1 . 1 51 51 GLU CG C 13 37.615 0.108 . 1 . . . . A 2063 GLU CG . 34439 1 108 . 1 . 1 51 51 GLU N N 15 126.842 0.019 . 1 . . . . A 2063 GLU N . 34439 1 109 . 1 . 1 52 52 THR H H 1 8.510 0.005 . 1 . . . . A 2064 THR H . 34439 1 110 . 1 . 1 52 52 THR HA H 1 4.250 0.011 . 1 . . . . A 2064 THR HA . 34439 1 111 . 1 . 1 52 52 THR HB H 1 4.833 0.003 . 1 . . . . A 2064 THR HB . 34439 1 112 . 1 . 1 52 52 THR HG21 H 1 1.197 0.011 . 1 . . . . A 2064 THR HG21 . 34439 1 113 . 1 . 1 52 52 THR HG22 H 1 1.197 0.011 . 1 . . . . A 2064 THR HG22 . 34439 1 114 . 1 . 1 52 52 THR HG23 H 1 1.197 0.011 . 1 . . . . A 2064 THR HG23 . 34439 1 115 . 1 . 1 52 52 THR C C 13 174.083 0.005 . 1 . . . . A 2064 THR C . 34439 1 116 . 1 . 1 52 52 THR CA C 13 63.924 0.219 . 1 . . . . A 2064 THR CA . 34439 1 117 . 1 . 1 52 52 THR CB C 13 69.946 0.111 . 1 . . . . A 2064 THR CB . 34439 1 118 . 1 . 1 52 52 THR CG2 C 13 22.750 0.056 . 1 . . . . A 2064 THR CG2 . 34439 1 119 . 1 . 1 52 52 THR N N 15 110.284 0.033 . 1 . . . . A 2064 THR N . 34439 1 120 . 1 . 1 53 53 VAL H H 1 6.880 0.006 . 1 . . . . A 2065 VAL H . 34439 1 121 . 1 . 1 53 53 VAL HA H 1 4.105 0.005 . 1 . . . . A 2065 VAL HA . 34439 1 122 . 1 . 1 53 53 VAL HB H 1 1.794 0.009 . 1 . . . . A 2065 VAL HB . 34439 1 123 . 1 . 1 53 53 VAL HG11 H 1 0.691 0.006 . 2 . . . . A 2065 VAL HG11 . 34439 1 124 . 1 . 1 53 53 VAL HG12 H 1 0.691 0.006 . 2 . . . . A 2065 VAL HG12 . 34439 1 125 . 1 . 1 53 53 VAL HG13 H 1 0.691 0.006 . 2 . . . . A 2065 VAL HG13 . 34439 1 126 . 1 . 1 53 53 VAL HG21 H 1 0.840 0.010 . 2 . . . . A 2065 VAL HG21 . 34439 1 127 . 1 . 1 53 53 VAL HG22 H 1 0.840 0.010 . 2 . . . . A 2065 VAL HG22 . 34439 1 128 . 1 . 1 53 53 VAL HG23 H 1 0.840 0.010 . 2 . . . . A 2065 VAL HG23 . 34439 1 129 . 1 . 1 53 53 VAL C C 13 175.915 0.004 . 1 . . . . A 2065 VAL C . 34439 1 130 . 1 . 1 53 53 VAL CA C 13 62.552 0.160 . 1 . . . . A 2065 VAL CA . 34439 1 131 . 1 . 1 53 53 VAL CB C 13 33.304 0.185 . 1 . . . . A 2065 VAL CB . 34439 1 132 . 1 . 1 53 53 VAL CG1 C 13 21.778 0.110 . 2 . . . . A 2065 VAL CG1 . 34439 1 133 . 1 . 1 53 53 VAL CG2 C 13 21.780 0.087 . 2 . . . . A 2065 VAL CG2 . 34439 1 134 . 1 . 1 53 53 VAL N N 15 123.117 0.032 . 1 . . . . A 2065 VAL N . 34439 1 135 . 1 . 1 54 54 GLU H H 1 8.707 0.003 . 1 . . . . A 2066 GLU H . 34439 1 136 . 1 . 1 54 54 GLU HA H 1 4.293 0.006 . 1 . . . . A 2066 GLU HA . 34439 1 137 . 1 . 1 54 54 GLU HB2 H 1 1.862 0.012 . 2 . . . . A 2066 GLU HB2 . 34439 1 138 . 1 . 1 54 54 GLU HB3 H 1 1.941 0.005 . 2 . . . . A 2066 GLU HB3 . 34439 1 139 . 1 . 1 54 54 GLU HG2 H 1 2.261 0.012 . 2 . . . . A 2066 GLU HG2 . 34439 1 140 . 1 . 1 54 54 GLU HG3 H 1 2.276 0.012 . 2 . . . . A 2066 GLU HG3 . 34439 1 141 . 1 . 1 54 54 GLU C C 13 174.200 0.000 . 1 . . . . A 2066 GLU C . 34439 1 142 . 1 . 1 54 54 GLU CA C 13 56.547 0.198 . 1 . . . . A 2066 GLU CA . 34439 1 143 . 1 . 1 54 54 GLU CB C 13 29.212 0.111 . 1 . . . . A 2066 GLU CB . 34439 1 144 . 1 . 1 54 54 GLU CG C 13 37.299 0.099 . 1 . . . . A 2066 GLU CG . 34439 1 145 . 1 . 1 54 54 GLU N N 15 128.692 0.022 . 1 . . . . A 2066 GLU N . 34439 1 146 . 1 . 1 55 55 PRO HA H 1 4.540 0.006 . 1 . . . . A 2067 PRO HA . 34439 1 147 . 1 . 1 55 55 PRO HB2 H 1 1.655 0.009 . 2 . . . . A 2067 PRO HB2 . 34439 1 148 . 1 . 1 55 55 PRO HB3 H 1 1.654 0.009 . 2 . . . . A 2067 PRO HB3 . 34439 1 149 . 1 . 1 55 55 PRO HG2 H 1 1.660 0.007 . 2 . . . . A 2067 PRO HG2 . 34439 1 150 . 1 . 1 55 55 PRO HG3 H 1 1.895 0.011 . 2 . . . . A 2067 PRO HG3 . 34439 1 151 . 1 . 1 55 55 PRO HD2 H 1 3.782 0.014 . 2 . . . . A 2067 PRO HD2 . 34439 1 152 . 1 . 1 55 55 PRO HD3 H 1 3.543 0.012 . 2 . . . . A 2067 PRO HD3 . 34439 1 153 . 1 . 1 55 55 PRO C C 13 174.679 0.000 . 1 . . . . A 2067 PRO C . 34439 1 154 . 1 . 1 55 55 PRO CA C 13 63.375 0.151 . 1 . . . . A 2067 PRO CA . 34439 1 155 . 1 . 1 55 55 PRO CB C 13 32.704 0.148 . 1 . . . . A 2067 PRO CB . 34439 1 156 . 1 . 1 55 55 PRO CG C 13 28.402 0.103 . 1 . . . . A 2067 PRO CG . 34439 1 157 . 1 . 1 55 55 PRO CD C 13 51.678 0.147 . 1 . . . . A 2067 PRO CD . 34439 1 158 . 1 . 1 56 56 THR H H 1 7.778 0.007 . 1 . . . . A 2068 THR H . 34439 1 159 . 1 . 1 56 56 THR HA H 1 4.297 0.004 . 1 . . . . A 2068 THR HA . 34439 1 160 . 1 . 1 56 56 THR HB H 1 4.205 0.015 . 1 . . . . A 2068 THR HB . 34439 1 161 . 1 . 1 56 56 THR HG1 H 1 5.019 0.006 . 1 . . . . A 2068 THR HG1 . 34439 1 162 . 1 . 1 56 56 THR HG21 H 1 0.899 0.007 . 1 . . . . A 2068 THR HG21 . 34439 1 163 . 1 . 1 56 56 THR HG22 H 1 0.899 0.007 . 1 . . . . A 2068 THR HG22 . 34439 1 164 . 1 . 1 56 56 THR HG23 H 1 0.899 0.007 . 1 . . . . A 2068 THR HG23 . 34439 1 165 . 1 . 1 56 56 THR C C 13 173.834 0.003 . 1 . . . . A 2068 THR C . 34439 1 166 . 1 . 1 56 56 THR CA C 13 60.886 0.197 . 1 . . . . A 2068 THR CA . 34439 1 167 . 1 . 1 56 56 THR CB C 13 74.279 0.187 . 1 . . . . A 2068 THR CB . 34439 1 168 . 1 . 1 56 56 THR CG2 C 13 21.320 0.118 . 1 . . . . A 2068 THR CG2 . 34439 1 169 . 1 . 1 56 56 THR N N 15 107.836 0.045 . 1 . . . . A 2068 THR N . 34439 1 170 . 1 . 1 57 57 PHE H H 1 8.838 0.004 . 1 . . . . A 2069 PHE H . 34439 1 171 . 1 . 1 57 57 PHE HA H 1 5.911 0.015 . 1 . . . . A 2069 PHE HA . 34439 1 172 . 1 . 1 57 57 PHE HB2 H 1 3.013 0.009 . 2 . . . . A 2069 PHE HB2 . 34439 1 173 . 1 . 1 57 57 PHE HB3 H 1 3.478 0.011 . 2 . . . . A 2069 PHE HB3 . 34439 1 174 . 1 . 1 57 57 PHE HD1 H 1 7.167 0.011 . 1 . . . . A 2069 PHE HD1 . 34439 1 175 . 1 . 1 57 57 PHE HD2 H 1 7.167 0.011 . 1 . . . . A 2069 PHE HD2 . 34439 1 176 . 1 . 1 57 57 PHE HE1 H 1 6.895 0.014 . 1 . . . . A 2069 PHE HE1 . 34439 1 177 . 1 . 1 57 57 PHE HE2 H 1 6.895 0.014 . 1 . . . . A 2069 PHE HE2 . 34439 1 178 . 1 . 1 57 57 PHE HZ H 1 6.813 0.007 . 1 . . . . A 2069 PHE HZ . 34439 1 179 . 1 . 1 57 57 PHE C C 13 179.925 0.014 . 1 . . . . A 2069 PHE C . 34439 1 180 . 1 . 1 57 57 PHE CA C 13 57.971 0.176 . 1 . . . . A 2069 PHE CA . 34439 1 181 . 1 . 1 57 57 PHE CB C 13 37.692 0.091 . 1 . . . . A 2069 PHE CB . 34439 1 182 . 1 . 1 57 57 PHE CD1 C 13 127.180 0.133 . 1 . . . . A 2069 PHE CD1 . 34439 1 183 . 1 . 1 57 57 PHE CD2 C 13 127.180 0.133 . 1 . . . . A 2069 PHE CD2 . 34439 1 184 . 1 . 1 57 57 PHE CE1 C 13 129.590 0.131 . 1 . . . . A 2069 PHE CE1 . 34439 1 185 . 1 . 1 57 57 PHE CE2 C 13 129.590 0.131 . 1 . . . . A 2069 PHE CE2 . 34439 1 186 . 1 . 1 57 57 PHE CZ C 13 126.181 0.000 . 1 . . . . A 2069 PHE CZ . 34439 1 187 . 1 . 1 57 57 PHE N N 15 116.188 0.016 . 1 . . . . A 2069 PHE N . 34439 1 188 . 1 . 1 58 58 GLU H H 1 8.751 0.004 . 1 . . . . A 2070 GLU H . 34439 1 189 . 1 . 1 58 58 GLU HA H 1 3.782 0.007 . 1 . . . . A 2070 GLU HA . 34439 1 190 . 1 . 1 58 58 GLU HB2 H 1 2.009 0.017 . 2 . . . . A 2070 GLU HB2 . 34439 1 191 . 1 . 1 58 58 GLU HB3 H 1 2.028 0.016 . 2 . . . . A 2070 GLU HB3 . 34439 1 192 . 1 . 1 58 58 GLU HG2 H 1 2.272 0.008 . 2 . . . . A 2070 GLU HG2 . 34439 1 193 . 1 . 1 58 58 GLU HG3 H 1 2.272 0.008 . 2 . . . . A 2070 GLU HG3 . 34439 1 194 . 1 . 1 58 58 GLU C C 13 175.193 0.012 . 1 . . . . A 2070 GLU C . 34439 1 195 . 1 . 1 58 58 GLU CA C 13 61.686 0.194 . 1 . . . . A 2070 GLU CA . 34439 1 196 . 1 . 1 58 58 GLU CB C 13 30.262 0.110 . 1 . . . . A 2070 GLU CB . 34439 1 197 . 1 . 1 58 58 GLU CG C 13 37.519 0.108 . 1 . . . . A 2070 GLU CG . 34439 1 198 . 1 . 1 58 58 GLU N N 15 123.419 0.076 . 1 . . . . A 2070 GLU N . 34439 1 199 . 1 . 1 59 59 ASP H H 1 8.020 0.003 . 1 . . . . A 2071 ASP H . 34439 1 200 . 1 . 1 59 59 ASP HA H 1 4.557 0.009 . 1 . . . . A 2071 ASP HA . 34439 1 201 . 1 . 1 59 59 ASP HB2 H 1 2.672 0.006 . 2 . . . . A 2071 ASP HB2 . 34439 1 202 . 1 . 1 59 59 ASP HB3 H 1 3.153 0.008 . 2 . . . . A 2071 ASP HB3 . 34439 1 203 . 1 . 1 59 59 ASP C C 13 177.186 0.032 . 1 . . . . A 2071 ASP C . 34439 1 204 . 1 . 1 59 59 ASP CA C 13 54.194 0.173 . 1 . . . . A 2071 ASP CA . 34439 1 205 . 1 . 1 59 59 ASP CB C 13 40.967 0.125 . 1 . . . . A 2071 ASP CB . 34439 1 206 . 1 . 1 59 59 ASP N N 15 115.757 0.034 . 1 . . . . A 2071 ASP N . 34439 1 207 . 1 . 1 60 60 GLY H H 1 8.183 0.007 . 1 . . . . A 2072 GLY H . 34439 1 208 . 1 . 1 60 60 GLY HA2 H 1 3.682 0.008 . 2 . . . . A 2072 GLY HA2 . 34439 1 209 . 1 . 1 60 60 GLY HA3 H 1 4.365 0.009 . 2 . . . . A 2072 GLY HA3 . 34439 1 210 . 1 . 1 60 60 GLY C C 13 173.572 0.000 . 1 . . . . A 2072 GLY C . 34439 1 211 . 1 . 1 60 60 GLY CA C 13 45.936 0.118 . 1 . . . . A 2072 GLY CA . 34439 1 212 . 1 . 1 60 60 GLY N N 15 107.700 0.026 . 1 . . . . A 2072 GLY N . 34439 1 213 . 1 . 1 61 61 SER H H 1 8.160 0.006 . 1 . . . . A 2073 SER H . 34439 1 214 . 1 . 1 61 61 SER HA H 1 4.529 0.011 . 1 . . . . A 2073 SER HA . 34439 1 215 . 1 . 1 61 61 SER HB2 H 1 4.021 0.007 . 2 . . . . A 2073 SER HB2 . 34439 1 216 . 1 . 1 61 61 SER HB3 H 1 4.300 0.008 . 2 . . . . A 2073 SER HB3 . 34439 1 217 . 1 . 1 61 61 SER C C 13 173.323 0.003 . 1 . . . . A 2073 SER C . 34439 1 218 . 1 . 1 61 61 SER CA C 13 59.795 0.185 . 1 . . . . A 2073 SER CA . 34439 1 219 . 1 . 1 61 61 SER CB C 13 66.875 0.128 . 1 . . . . A 2073 SER CB . 34439 1 220 . 1 . 1 61 61 SER N N 15 116.648 0.087 . 1 . . . . A 2073 SER N . 34439 1 221 . 1 . 1 62 62 LYS H H 1 8.846 0.006 . 1 . . . . A 2074 LYS H . 34439 1 222 . 1 . 1 62 62 LYS HA H 1 4.225 0.009 . 1 . . . . A 2074 LYS HA . 34439 1 223 . 1 . 1 62 62 LYS HB2 H 1 1.529 0.009 . 2 . . . . A 2074 LYS HB2 . 34439 1 224 . 1 . 1 62 62 LYS HB3 H 1 2.220 0.007 . 2 . . . . A 2074 LYS HB3 . 34439 1 225 . 1 . 1 62 62 LYS HG2 H 1 1.319 0.014 . 2 . . . . A 2074 LYS HG2 . 34439 1 226 . 1 . 1 62 62 LYS HG3 H 1 1.160 0.004 . 2 . . . . A 2074 LYS HG3 . 34439 1 227 . 1 . 1 62 62 LYS HD2 H 1 1.564 0.013 . 2 . . . . A 2074 LYS HD2 . 34439 1 228 . 1 . 1 62 62 LYS HD3 H 1 1.672 0.014 . 2 . . . . A 2074 LYS HD3 . 34439 1 229 . 1 . 1 62 62 LYS HE2 H 1 2.877 0.015 . 2 . . . . A 2074 LYS HE2 . 34439 1 230 . 1 . 1 62 62 LYS HE3 H 1 2.836 0.009 . 2 . . . . A 2074 LYS HE3 . 34439 1 231 . 1 . 1 62 62 LYS C C 13 175.360 0.004 . 1 . . . . A 2074 LYS C . 34439 1 232 . 1 . 1 62 62 LYS CA C 13 56.491 0.211 . 1 . . . . A 2074 LYS CA . 34439 1 233 . 1 . 1 62 62 LYS CB C 13 34.218 0.150 . 1 . . . . A 2074 LYS CB . 34439 1 234 . 1 . 1 62 62 LYS CG C 13 26.419 0.221 . 1 . . . . A 2074 LYS CG . 34439 1 235 . 1 . 1 62 62 LYS CD C 13 30.778 0.134 . 1 . . . . A 2074 LYS CD . 34439 1 236 . 1 . 1 62 62 LYS CE C 13 43.352 0.100 . 1 . . . . A 2074 LYS CE . 34439 1 237 . 1 . 1 62 62 LYS N N 15 114.944 0.034 . 1 . . . . A 2074 LYS N . 34439 1 238 . 1 . 1 63 63 GLU H H 1 7.659 0.006 . 1 . . . . A 2075 GLU H . 34439 1 239 . 1 . 1 63 63 GLU HA H 1 5.527 0.007 . 1 . . . . A 2075 GLU HA . 34439 1 240 . 1 . 1 63 63 GLU HB2 H 1 2.002 0.002 . 2 . . . . A 2075 GLU HB2 . 34439 1 241 . 1 . 1 63 63 GLU HB3 H 1 2.069 0.014 . 2 . . . . A 2075 GLU HB3 . 34439 1 242 . 1 . 1 63 63 GLU HG2 H 1 2.068 0.005 . 2 . . . . A 2075 GLU HG2 . 34439 1 243 . 1 . 1 63 63 GLU HG3 H 1 2.152 0.006 . 2 . . . . A 2075 GLU HG3 . 34439 1 244 . 1 . 1 63 63 GLU C C 13 174.223 0.003 . 1 . . . . A 2075 GLU C . 34439 1 245 . 1 . 1 63 63 GLU CA C 13 56.807 0.113 . 1 . . . . A 2075 GLU CA . 34439 1 246 . 1 . 1 63 63 GLU CB C 13 34.330 0.116 . 1 . . . . A 2075 GLU CB . 34439 1 247 . 1 . 1 63 63 GLU CG C 13 37.689 0.083 . 1 . . . . A 2075 GLU CG . 34439 1 248 . 1 . 1 63 63 GLU N N 15 120.359 0.048 . 1 . . . . A 2075 GLU N . 34439 1 249 . 1 . 1 64 64 LYS H H 1 9.449 0.008 . 1 . . . . A 2076 LYS H . 34439 1 250 . 1 . 1 64 64 LYS HA H 1 4.764 0.009 . 1 . . . . A 2076 LYS HA . 34439 1 251 . 1 . 1 64 64 LYS HB2 H 1 1.528 0.011 . 2 . . . . A 2076 LYS HB2 . 34439 1 252 . 1 . 1 64 64 LYS HB3 H 1 1.528 0.010 . 2 . . . . A 2076 LYS HB3 . 34439 1 253 . 1 . 1 64 64 LYS HG2 H 1 1.159 0.011 . 2 . . . . A 2076 LYS HG2 . 34439 1 254 . 1 . 1 64 64 LYS HG3 H 1 1.443 0.008 . 2 . . . . A 2076 LYS HG3 . 34439 1 255 . 1 . 1 64 64 LYS HD2 H 1 1.492 0.005 . 2 . . . . A 2076 LYS HD2 . 34439 1 256 . 1 . 1 64 64 LYS HD3 H 1 1.492 0.005 . 2 . . . . A 2076 LYS HD3 . 34439 1 257 . 1 . 1 64 64 LYS HE2 H 1 2.861 0.008 . 2 . . . . A 2076 LYS HE2 . 34439 1 258 . 1 . 1 64 64 LYS HE3 H 1 2.894 0.005 . 2 . . . . A 2076 LYS HE3 . 34439 1 259 . 1 . 1 64 64 LYS C C 13 174.322 0.000 . 1 . . . . A 2076 LYS C . 34439 1 260 . 1 . 1 64 64 LYS CA C 13 56.721 0.060 . 1 . . . . A 2076 LYS CA . 34439 1 261 . 1 . 1 64 64 LYS CB C 13 36.921 0.139 . 1 . . . . A 2076 LYS CB . 34439 1 262 . 1 . 1 64 64 LYS CG C 13 25.633 0.284 . 1 . . . . A 2076 LYS CG . 34439 1 263 . 1 . 1 64 64 LYS CD C 13 30.701 0.150 . 1 . . . . A 2076 LYS CD . 34439 1 264 . 1 . 1 64 64 LYS CE C 13 42.643 0.111 . 1 . . . . A 2076 LYS CE . 34439 1 265 . 1 . 1 64 64 LYS N N 15 126.919 0.029 . 1 . . . . A 2076 LYS N . 34439 1 266 . 1 . 1 65 65 THR H H 1 9.352 0.013 . 1 . . . . A 2077 THR H . 34439 1 267 . 1 . 1 65 65 THR HA H 1 4.773 0.014 . 1 . . . . A 2077 THR HA . 34439 1 268 . 1 . 1 65 65 THR HB H 1 3.903 0.012 . 1 . . . . A 2077 THR HB . 34439 1 269 . 1 . 1 65 65 THR HG21 H 1 0.996 0.013 . 1 . . . . A 2077 THR HG21 . 34439 1 270 . 1 . 1 65 65 THR HG22 H 1 0.996 0.013 . 1 . . . . A 2077 THR HG22 . 34439 1 271 . 1 . 1 65 65 THR HG23 H 1 0.996 0.013 . 1 . . . . A 2077 THR HG23 . 34439 1 272 . 1 . 1 65 65 THR C C 13 173.846 0.003 . 1 . . . . A 2077 THR C . 34439 1 273 . 1 . 1 65 65 THR CA C 13 63.576 0.098 . 1 . . . . A 2077 THR CA . 34439 1 274 . 1 . 1 65 65 THR CB C 13 71.031 0.211 . 1 . . . . A 2077 THR CB . 34439 1 275 . 1 . 1 65 65 THR CG2 C 13 22.694 0.078 . 1 . . . . A 2077 THR CG2 . 34439 1 276 . 1 . 1 65 65 THR N N 15 126.096 0.039 . 1 . . . . A 2077 THR N . 34439 1 277 . 1 . 1 66 66 ILE H H 1 9.304 0.006 . 1 . . . . A 2078 ILE H . 34439 1 278 . 1 . 1 66 66 ILE HA H 1 4.652 0.007 . 1 . . . . A 2078 ILE HA . 34439 1 279 . 1 . 1 66 66 ILE HB H 1 1.957 0.009 . 1 . . . . A 2078 ILE HB . 34439 1 280 . 1 . 1 66 66 ILE HG12 H 1 1.555 0.006 . 2 . . . . A 2078 ILE HG12 . 34439 1 281 . 1 . 1 66 66 ILE HG13 H 1 1.300 0.005 . 2 . . . . A 2078 ILE HG13 . 34439 1 282 . 1 . 1 66 66 ILE HG21 H 1 0.814 0.006 . 1 . . . . A 2078 ILE HG21 . 34439 1 283 . 1 . 1 66 66 ILE HG22 H 1 0.814 0.006 . 1 . . . . A 2078 ILE HG22 . 34439 1 284 . 1 . 1 66 66 ILE HG23 H 1 0.814 0.006 . 1 . . . . A 2078 ILE HG23 . 34439 1 285 . 1 . 1 66 66 ILE HD11 H 1 1.048 0.013 . 1 . . . . A 2078 ILE HD11 . 34439 1 286 . 1 . 1 66 66 ILE HD12 H 1 1.048 0.013 . 1 . . . . A 2078 ILE HD12 . 34439 1 287 . 1 . 1 66 66 ILE HD13 H 1 1.048 0.013 . 1 . . . . A 2078 ILE HD13 . 34439 1 288 . 1 . 1 66 66 ILE C C 13 174.203 0.000 . 1 . . . . A 2078 ILE C . 34439 1 289 . 1 . 1 66 66 ILE CA C 13 59.109 0.108 . 1 . . . . A 2078 ILE CA . 34439 1 290 . 1 . 1 66 66 ILE CB C 13 40.624 0.125 . 1 . . . . A 2078 ILE CB . 34439 1 291 . 1 . 1 66 66 ILE CG1 C 13 28.559 0.129 . 1 . . . . A 2078 ILE CG1 . 34439 1 292 . 1 . 1 66 66 ILE CG2 C 13 18.870 0.178 . 1 . . . . A 2078 ILE CG2 . 34439 1 293 . 1 . 1 66 66 ILE CD1 C 13 15.673 0.234 . 1 . . . . A 2078 ILE CD1 . 34439 1 294 . 1 . 1 66 66 ILE N N 15 129.645 0.021 . 1 . . . . A 2078 ILE N . 34439 1 295 . 1 . 1 67 67 PRO HA H 1 4.189 0.011 . 1 . . . . A 2079 PRO HA . 34439 1 296 . 1 . 1 67 67 PRO HB2 H 1 2.299 0.009 . 2 . . . . A 2079 PRO HB2 . 34439 1 297 . 1 . 1 67 67 PRO HB3 H 1 1.928 0.015 . 2 . . . . A 2079 PRO HB3 . 34439 1 298 . 1 . 1 67 67 PRO HG2 H 1 1.930 0.010 . 2 . . . . A 2079 PRO HG2 . 34439 1 299 . 1 . 1 67 67 PRO HG3 H 1 2.145 0.007 . 2 . . . . A 2079 PRO HG3 . 34439 1 300 . 1 . 1 67 67 PRO HD2 H 1 3.770 0.008 . 2 . . . . A 2079 PRO HD2 . 34439 1 301 . 1 . 1 67 67 PRO HD3 H 1 3.965 0.005 . 2 . . . . A 2079 PRO HD3 . 34439 1 302 . 1 . 1 67 67 PRO C C 13 177.203 0.000 . 1 . . . . A 2079 PRO C . 34439 1 303 . 1 . 1 67 67 PRO CA C 13 65.395 0.179 . 1 . . . . A 2079 PRO CA . 34439 1 304 . 1 . 1 67 67 PRO CB C 13 32.949 0.179 . 1 . . . . A 2079 PRO CB . 34439 1 305 . 1 . 1 67 67 PRO CG C 13 28.602 0.095 . 1 . . . . A 2079 PRO CG . 34439 1 306 . 1 . 1 67 67 PRO CD C 13 53.260 0.111 . 1 . . . . A 2079 PRO CD . 34439 1 307 . 1 . 1 68 68 GLY H H 1 8.794 0.004 . 1 . . . . A 2080 GLY H . 34439 1 308 . 1 . 1 68 68 GLY HA2 H 1 3.624 0.003 . 2 . . . . A 2080 GLY HA2 . 34439 1 309 . 1 . 1 68 68 GLY HA3 H 1 4.168 0.011 . 2 . . . . A 2080 GLY HA3 . 34439 1 310 . 1 . 1 68 68 GLY C C 13 173.469 0.000 . 1 . . . . A 2080 GLY C . 34439 1 311 . 1 . 1 68 68 GLY CA C 13 46.652 0.173 . 1 . . . . A 2080 GLY CA . 34439 1 312 . 1 . 1 68 68 GLY N N 15 112.992 0.047 . 1 . . . . A 2080 GLY N . 34439 1 313 . 1 . 1 69 69 GLN H H 1 7.899 0.007 . 1 . . . . A 2081 GLN H . 34439 1 314 . 1 . 1 69 69 GLN HA H 1 4.027 0.010 . 1 . . . . A 2081 GLN HA . 34439 1 315 . 1 . 1 69 69 GLN HB2 H 1 1.568 0.008 . 2 . . . . A 2081 GLN HB2 . 34439 1 316 . 1 . 1 69 69 GLN HB3 H 1 1.128 0.005 . 2 . . . . A 2081 GLN HB3 . 34439 1 317 . 1 . 1 69 69 GLN HG2 H 1 2.039 0.008 . 2 . . . . A 2081 GLN HG2 . 34439 1 318 . 1 . 1 69 69 GLN HG3 H 1 1.684 0.007 . 2 . . . . A 2081 GLN HG3 . 34439 1 319 . 1 . 1 69 69 GLN HE21 H 1 7.068 0.004 . 1 . . . . A 2081 GLN HE21 . 34439 1 320 . 1 . 1 69 69 GLN HE22 H 1 6.481 0.003 . 1 . . . . A 2081 GLN HE22 . 34439 1 321 . 1 . 1 69 69 GLN C C 13 174.387 0.011 . 1 . . . . A 2081 GLN C . 34439 1 322 . 1 . 1 69 69 GLN CA C 13 57.712 0.154 . 1 . . . . A 2081 GLN CA . 34439 1 323 . 1 . 1 69 69 GLN CB C 13 31.036 0.148 . 1 . . . . A 2081 GLN CB . 34439 1 324 . 1 . 1 69 69 GLN CG C 13 34.148 0.197 . 1 . . . . A 2081 GLN CG . 34439 1 325 . 1 . 1 69 69 GLN N N 15 117.114 0.017 . 1 . . . . A 2081 GLN N . 34439 1 326 . 1 . 1 69 69 GLN NE2 N 15 105.832 0.075 . 1 . . . . A 2081 GLN NE2 . 34439 1 327 . 1 . 1 70 70 GLY H H 1 7.872 0.004 . 1 . . . . A 2082 GLY H . 34439 1 328 . 1 . 1 70 70 GLY HA2 H 1 3.504 0.011 . 2 . . . . A 2082 GLY HA2 . 34439 1 329 . 1 . 1 70 70 GLY HA3 H 1 3.888 0.014 . 2 . . . . A 2082 GLY HA3 . 34439 1 330 . 1 . 1 70 70 GLY C C 13 171.246 0.000 . 1 . . . . A 2082 GLY C . 34439 1 331 . 1 . 1 70 70 GLY CA C 13 46.766 0.110 . 1 . . . . A 2082 GLY CA . 34439 1 332 . 1 . 1 70 70 GLY N N 15 104.262 0.061 . 1 . . . . A 2082 GLY N . 34439 1 333 . 1 . 1 71 71 THR H H 1 7.130 0.016 . 1 . . . . A 2083 THR H . 34439 1 334 . 1 . 1 71 71 THR HA H 1 5.094 0.008 . 1 . . . . A 2083 THR HA . 34439 1 335 . 1 . 1 71 71 THR HB H 1 3.503 0.011 . 1 . . . . A 2083 THR HB . 34439 1 336 . 1 . 1 71 71 THR HG21 H 1 1.056 0.011 . 1 . . . . A 2083 THR HG21 . 34439 1 337 . 1 . 1 71 71 THR HG22 H 1 1.056 0.011 . 1 . . . . A 2083 THR HG22 . 34439 1 338 . 1 . 1 71 71 THR HG23 H 1 1.056 0.011 . 1 . . . . A 2083 THR HG23 . 34439 1 339 . 1 . 1 71 71 THR C C 13 174.480 0.003 . 1 . . . . A 2083 THR C . 34439 1 340 . 1 . 1 71 71 THR CA C 13 62.586 0.171 . 1 . . . . A 2083 THR CA . 34439 1 341 . 1 . 1 71 71 THR CB C 13 74.044 0.227 . 1 . . . . A 2083 THR CB . 34439 1 342 . 1 . 1 71 71 THR CG2 C 13 23.194 0.229 . 1 . . . . A 2083 THR CG2 . 34439 1 343 . 1 . 1 71 71 THR N N 15 113.699 0.070 . 1 . . . . A 2083 THR N . 34439 1 344 . 1 . 1 72 72 TYR H H 1 9.696 0.006 . 1 . . . . A 2084 TYR H . 34439 1 345 . 1 . 1 72 72 TYR HA H 1 5.963 0.015 . 1 . . . . A 2084 TYR HA . 34439 1 346 . 1 . 1 72 72 TYR HB2 H 1 2.977 0.007 . 2 . . . . A 2084 TYR HB2 . 34439 1 347 . 1 . 1 72 72 TYR HB3 H 1 2.677 0.015 . 2 . . . . A 2084 TYR HB3 . 34439 1 348 . 1 . 1 72 72 TYR HD1 H 1 7.005 0.014 . 1 . . . . A 2084 TYR HD1 . 34439 1 349 . 1 . 1 72 72 TYR HD2 H 1 7.005 0.014 . 1 . . . . A 2084 TYR HD2 . 34439 1 350 . 1 . 1 72 72 TYR HE1 H 1 6.532 0.005 . 1 . . . . A 2084 TYR HE1 . 34439 1 351 . 1 . 1 72 72 TYR HE2 H 1 6.532 0.005 . 1 . . . . A 2084 TYR HE2 . 34439 1 352 . 1 . 1 72 72 TYR C C 13 176.032 0.006 . 1 . . . . A 2084 TYR C . 34439 1 353 . 1 . 1 72 72 TYR CA C 13 59.108 0.219 . 1 . . . . A 2084 TYR CA . 34439 1 354 . 1 . 1 72 72 TYR CB C 13 43.465 0.128 . 1 . . . . A 2084 TYR CB . 34439 1 355 . 1 . 1 72 72 TYR CD1 C 13 130.686 0.192 . 1 . . . . A 2084 TYR CD1 . 34439 1 356 . 1 . 1 72 72 TYR CD2 C 13 130.686 0.192 . 1 . . . . A 2084 TYR CD2 . 34439 1 357 . 1 . 1 72 72 TYR CE1 C 13 116.910 0.068 . 1 . . . . A 2084 TYR CE1 . 34439 1 358 . 1 . 1 72 72 TYR CE2 C 13 116.910 0.068 . 1 . . . . A 2084 TYR CE2 . 34439 1 359 . 1 . 1 72 72 TYR N N 15 128.777 0.026 . 1 . . . . A 2084 TYR N . 34439 1 360 . 1 . 1 73 73 THR H H 1 9.672 0.010 . 1 . . . . A 2085 THR H . 34439 1 361 . 1 . 1 73 73 THR HA H 1 5.384 0.009 . 1 . . . . A 2085 THR HA . 34439 1 362 . 1 . 1 73 73 THR HB H 1 4.327 0.010 . 1 . . . . A 2085 THR HB . 34439 1 363 . 1 . 1 73 73 THR HG21 H 1 1.301 0.008 . 1 . . . . A 2085 THR HG21 . 34439 1 364 . 1 . 1 73 73 THR HG22 H 1 1.301 0.008 . 1 . . . . A 2085 THR HG22 . 34439 1 365 . 1 . 1 73 73 THR HG23 H 1 1.301 0.008 . 1 . . . . A 2085 THR HG23 . 34439 1 366 . 1 . 1 73 73 THR C C 13 172.676 0.012 . 1 . . . . A 2085 THR C . 34439 1 367 . 1 . 1 73 73 THR CA C 13 61.812 0.134 . 1 . . . . A 2085 THR CA . 34439 1 368 . 1 . 1 73 73 THR CB C 13 73.076 0.148 . 1 . . . . A 2085 THR CB . 34439 1 369 . 1 . 1 73 73 THR CG2 C 13 24.904 0.099 . 1 . . . . A 2085 THR CG2 . 34439 1 370 . 1 . 1 73 73 THR N N 15 113.067 0.116 . 1 . . . . A 2085 THR N . 34439 1 371 . 1 . 1 74 74 ILE H H 1 7.827 0.009 . 1 . . . . A 2086 ILE H . 34439 1 372 . 1 . 1 74 74 ILE HA H 1 5.301 0.011 . 1 . . . . A 2086 ILE HA . 34439 1 373 . 1 . 1 74 74 ILE HB H 1 1.415 0.013 . 1 . . . . A 2086 ILE HB . 34439 1 374 . 1 . 1 74 74 ILE HG12 H 1 1.323 0.015 . 2 . . . . A 2086 ILE HG12 . 34439 1 375 . 1 . 1 74 74 ILE HG13 H 1 1.145 0.012 . 2 . . . . A 2086 ILE HG13 . 34439 1 376 . 1 . 1 74 74 ILE HG21 H 1 0.186 0.010 . 1 . . . . A 2086 ILE HG21 . 34439 1 377 . 1 . 1 74 74 ILE HG22 H 1 0.186 0.010 . 1 . . . . A 2086 ILE HG22 . 34439 1 378 . 1 . 1 74 74 ILE HG23 H 1 0.186 0.010 . 1 . . . . A 2086 ILE HG23 . 34439 1 379 . 1 . 1 74 74 ILE HD11 H 1 0.386 0.013 . 1 . . . . A 2086 ILE HD11 . 34439 1 380 . 1 . 1 74 74 ILE HD12 H 1 0.386 0.013 . 1 . . . . A 2086 ILE HD12 . 34439 1 381 . 1 . 1 74 74 ILE HD13 H 1 0.386 0.013 . 1 . . . . A 2086 ILE HD13 . 34439 1 382 . 1 . 1 74 74 ILE C C 13 173.303 0.000 . 1 . . . . A 2086 ILE C . 34439 1 383 . 1 . 1 74 74 ILE CA C 13 60.200 0.105 . 1 . . . . A 2086 ILE CA . 34439 1 384 . 1 . 1 74 74 ILE CB C 13 42.794 0.056 . 1 . . . . A 2086 ILE CB . 34439 1 385 . 1 . 1 74 74 ILE CG1 C 13 29.249 0.165 . 1 . . . . A 2086 ILE CG1 . 34439 1 386 . 1 . 1 74 74 ILE CG2 C 13 15.063 0.092 . 1 . . . . A 2086 ILE CG2 . 34439 1 387 . 1 . 1 74 74 ILE CD1 C 13 17.126 0.213 . 1 . . . . A 2086 ILE CD1 . 34439 1 388 . 1 . 1 74 74 ILE N N 15 119.437 0.084 . 1 . . . . A 2086 ILE N . 34439 1 389 . 1 . 1 75 75 VAL HA H 1 4.882 0.008 . 1 . . . . A 2087 VAL HA . 34439 1 390 . 1 . 1 75 75 VAL HB H 1 2.501 0.005 . 1 . . . . A 2087 VAL HB . 34439 1 391 . 1 . 1 75 75 VAL HG11 H 1 0.960 0.014 . 2 . . . . A 2087 VAL HG11 . 34439 1 392 . 1 . 1 75 75 VAL HG12 H 1 0.960 0.014 . 2 . . . . A 2087 VAL HG12 . 34439 1 393 . 1 . 1 75 75 VAL HG13 H 1 0.960 0.014 . 2 . . . . A 2087 VAL HG13 . 34439 1 394 . 1 . 1 75 75 VAL HG21 H 1 0.961 0.015 . 2 . . . . A 2087 VAL HG21 . 34439 1 395 . 1 . 1 75 75 VAL HG22 H 1 0.961 0.015 . 2 . . . . A 2087 VAL HG22 . 34439 1 396 . 1 . 1 75 75 VAL HG23 H 1 0.961 0.015 . 2 . . . . A 2087 VAL HG23 . 34439 1 397 . 1 . 1 75 75 VAL CB C 13 32.400 0.074 . 1 . . . . A 2087 VAL CB . 34439 1 398 . 1 . 1 75 75 VAL CG1 C 13 22.767 0.018 . 2 . . . . A 2087 VAL CG1 . 34439 1 399 . 1 . 1 75 75 VAL CG2 C 13 22.767 0.017 . 2 . . . . A 2087 VAL CG2 . 34439 1 400 . 1 . 1 76 76 PRO HA H 1 4.270 0.009 . 1 . . . . A 2088 PRO HA . 34439 1 401 . 1 . 1 76 76 PRO HB2 H 1 2.309 0.009 . 2 . . . . A 2088 PRO HB2 . 34439 1 402 . 1 . 1 76 76 PRO HB3 H 1 1.897 0.005 . 2 . . . . A 2088 PRO HB3 . 34439 1 403 . 1 . 1 76 76 PRO HG2 H 1 2.072 0.010 . 1 . . . . A 2088 PRO HG2 . 34439 1 404 . 1 . 1 76 76 PRO HG3 H 1 2.072 0.010 . 1 . . . . A 2088 PRO HG3 . 34439 1 405 . 1 . 1 76 76 PRO HD2 H 1 3.756 0.009 . 2 . . . . A 2088 PRO HD2 . 34439 1 406 . 1 . 1 76 76 PRO HD3 H 1 3.850 0.007 . 2 . . . . A 2088 PRO HD3 . 34439 1 407 . 1 . 1 76 76 PRO C C 13 176.511 0.011 . 1 . . . . A 2088 PRO C . 34439 1 408 . 1 . 1 76 76 PRO CA C 13 67.513 0.148 . 1 . . . . A 2088 PRO CA . 34439 1 409 . 1 . 1 76 76 PRO CB C 13 33.379 0.289 . 1 . . . . A 2088 PRO CB . 34439 1 410 . 1 . 1 76 76 PRO CG C 13 29.096 0.112 . 1 . . . . A 2088 PRO CG . 34439 1 411 . 1 . 1 76 76 PRO CD C 13 52.675 0.077 . 1 . . . . A 2088 PRO CD . 34439 1 412 . 1 . 1 77 77 ASP H H 1 7.729 0.005 . 1 . . . . A 2089 ASP H . 34439 1 413 . 1 . 1 77 77 ASP HA H 1 4.442 0.012 . 1 . . . . A 2089 ASP HA . 34439 1 414 . 1 . 1 77 77 ASP HB2 H 1 2.521 0.012 . 2 . . . . A 2089 ASP HB2 . 34439 1 415 . 1 . 1 77 77 ASP HB3 H 1 3.038 0.009 . 2 . . . . A 2089 ASP HB3 . 34439 1 416 . 1 . 1 77 77 ASP C C 13 177.569 0.037 . 1 . . . . A 2089 ASP C . 34439 1 417 . 1 . 1 77 77 ASP CA C 13 55.236 0.157 . 1 . . . . A 2089 ASP CA . 34439 1 418 . 1 . 1 77 77 ASP CB C 13 40.740 0.194 . 1 . . . . A 2089 ASP CB . 34439 1 419 . 1 . 1 77 77 ASP N N 15 112.890 0.029 . 1 . . . . A 2089 ASP N . 34439 1 420 . 1 . 1 78 78 GLY H H 1 8.686 0.004 . 1 . . . . A 2090 GLY H . 34439 1 421 . 1 . 1 78 78 GLY HA2 H 1 4.464 0.010 . 2 . . . . A 2090 GLY HA2 . 34439 1 422 . 1 . 1 78 78 GLY HA3 H 1 3.233 0.005 . 2 . . . . A 2090 GLY HA3 . 34439 1 423 . 1 . 1 78 78 GLY C C 13 173.319 0.012 . 1 . . . . A 2090 GLY C . 34439 1 424 . 1 . 1 78 78 GLY CA C 13 46.027 0.108 . 1 . . . . A 2090 GLY CA . 34439 1 425 . 1 . 1 78 78 GLY N N 15 107.627 0.027 . 1 . . . . A 2090 GLY N . 34439 1 426 . 1 . 1 79 79 THR H H 1 8.028 0.006 . 1 . . . . A 2091 THR H . 34439 1 427 . 1 . 1 79 79 THR HA H 1 4.150 0.002 . 1 . . . . A 2091 THR HA . 34439 1 428 . 1 . 1 79 79 THR HB H 1 3.945 0.014 . 1 . . . . A 2091 THR HB . 34439 1 429 . 1 . 1 79 79 THR HG21 H 1 0.994 0.004 . 1 . . . . A 2091 THR HG21 . 34439 1 430 . 1 . 1 79 79 THR HG22 H 1 0.994 0.004 . 1 . . . . A 2091 THR HG22 . 34439 1 431 . 1 . 1 79 79 THR HG23 H 1 0.994 0.004 . 1 . . . . A 2091 THR HG23 . 34439 1 432 . 1 . 1 79 79 THR C C 13 174.443 0.000 . 1 . . . . A 2091 THR C . 34439 1 433 . 1 . 1 79 79 THR CA C 13 65.791 0.205 . 1 . . . . A 2091 THR CA . 34439 1 434 . 1 . 1 79 79 THR CB C 13 69.138 0.000 . 1 . . . . A 2091 THR CB . 34439 1 435 . 1 . 1 79 79 THR CG2 C 13 20.267 0.049 . 1 . . . . A 2091 THR CG2 . 34439 1 436 . 1 . 1 79 79 THR N N 15 116.415 0.044 . 1 . . . . A 2091 THR N . 34439 1 437 . 1 . 1 80 80 VAL HA H 1 5.026 0.009 . 1 . . . . A 2092 VAL HA . 34439 1 438 . 1 . 1 80 80 VAL HB H 1 1.802 0.010 . 1 . . . . A 2092 VAL HB . 34439 1 439 . 1 . 1 80 80 VAL HG11 H 1 1.447 0.012 . 2 . . . . A 2092 VAL HG11 . 34439 1 440 . 1 . 1 80 80 VAL HG12 H 1 1.447 0.012 . 2 . . . . A 2092 VAL HG12 . 34439 1 441 . 1 . 1 80 80 VAL HG13 H 1 1.447 0.012 . 2 . . . . A 2092 VAL HG13 . 34439 1 442 . 1 . 1 80 80 VAL HG21 H 1 0.987 0.012 . 2 . . . . A 2092 VAL HG21 . 34439 1 443 . 1 . 1 80 80 VAL HG22 H 1 0.987 0.012 . 2 . . . . A 2092 VAL HG22 . 34439 1 444 . 1 . 1 80 80 VAL HG23 H 1 0.987 0.012 . 2 . . . . A 2092 VAL HG23 . 34439 1 445 . 1 . 1 80 80 VAL C C 13 174.766 0.000 . 1 . . . . A 2092 VAL C . 34439 1 446 . 1 . 1 80 80 VAL CA C 13 61.645 0.149 . 1 . . . . A 2092 VAL CA . 34439 1 447 . 1 . 1 80 80 VAL CB C 13 34.163 0.234 . 1 . . . . A 2092 VAL CB . 34439 1 448 . 1 . 1 80 80 VAL CG1 C 13 25.971 0.155 . 2 . . . . A 2092 VAL CG1 . 34439 1 449 . 1 . 1 80 80 VAL CG2 C 13 23.478 0.101 . 2 . . . . A 2092 VAL CG2 . 34439 1 450 . 1 . 1 81 81 THR H H 1 9.337 0.003 . 1 . . . . A 2093 THR H . 34439 1 451 . 1 . 1 81 81 THR HA H 1 5.416 0.010 . 1 . . . . A 2093 THR HA . 34439 1 452 . 1 . 1 81 81 THR HB H 1 3.931 0.004 . 1 . . . . A 2093 THR HB . 34439 1 453 . 1 . 1 81 81 THR HG21 H 1 1.127 0.004 . 1 . . . . A 2093 THR HG21 . 34439 1 454 . 1 . 1 81 81 THR HG22 H 1 1.127 0.004 . 1 . . . . A 2093 THR HG22 . 34439 1 455 . 1 . 1 81 81 THR HG23 H 1 1.127 0.004 . 1 . . . . A 2093 THR HG23 . 34439 1 456 . 1 . 1 81 81 THR C C 13 174.432 0.024 . 1 . . . . A 2093 THR C . 34439 1 457 . 1 . 1 81 81 THR CA C 13 62.105 0.100 . 1 . . . . A 2093 THR CA . 34439 1 458 . 1 . 1 81 81 THR CB C 13 72.108 0.196 . 1 . . . . A 2093 THR CB . 34439 1 459 . 1 . 1 81 81 THR CG2 C 13 21.816 0.040 . 1 . . . . A 2093 THR CG2 . 34439 1 460 . 1 . 1 81 81 THR N N 15 121.565 0.020 . 1 . . . . A 2093 THR N . 34439 1 461 . 1 . 1 82 82 PHE H H 1 9.641 0.023 . 1 . . . . A 2094 PHE H . 34439 1 462 . 1 . 1 82 82 PHE HA H 1 5.219 0.010 . 1 . . . . A 2094 PHE HA . 34439 1 463 . 1 . 1 82 82 PHE HB2 H 1 2.760 0.007 . 1 . . . . A 2094 PHE HB2 . 34439 1 464 . 1 . 1 82 82 PHE HB3 H 1 2.760 0.007 . 1 . . . . A 2094 PHE HB3 . 34439 1 465 . 1 . 1 82 82 PHE HD1 H 1 7.009 0.012 . 1 . . . . A 2094 PHE HD1 . 34439 1 466 . 1 . 1 82 82 PHE HD2 H 1 7.009 0.012 . 1 . . . . A 2094 PHE HD2 . 34439 1 467 . 1 . 1 82 82 PHE HE1 H 1 7.096 0.010 . 1 . . . . A 2094 PHE HE1 . 34439 1 468 . 1 . 1 82 82 PHE HE2 H 1 7.096 0.010 . 1 . . . . A 2094 PHE HE2 . 34439 1 469 . 1 . 1 82 82 PHE HZ H 1 6.892 0.010 . 1 . . . . A 2094 PHE HZ . 34439 1 470 . 1 . 1 82 82 PHE C C 13 174.426 0.006 . 1 . . . . A 2094 PHE C . 34439 1 471 . 1 . 1 82 82 PHE CA C 13 57.786 0.123 . 1 . . . . A 2094 PHE CA . 34439 1 472 . 1 . 1 82 82 PHE CB C 13 42.589 0.135 . 1 . . . . A 2094 PHE CB . 34439 1 473 . 1 . 1 82 82 PHE CD1 C 13 128.153 0.100 . 1 . . . . A 2094 PHE CD1 . 34439 1 474 . 1 . 1 82 82 PHE CD2 C 13 128.153 0.100 . 1 . . . . A 2094 PHE CD2 . 34439 1 475 . 1 . 1 82 82 PHE CE1 C 13 130.168 0.113 . 1 . . . . A 2094 PHE CE1 . 34439 1 476 . 1 . 1 82 82 PHE CE2 C 13 130.168 0.113 . 1 . . . . A 2094 PHE CE2 . 34439 1 477 . 1 . 1 82 82 PHE CZ C 13 126.402 0.104 . 1 . . . . A 2094 PHE CZ . 34439 1 478 . 1 . 1 82 82 PHE N N 15 125.698 0.075 . 1 . . . . A 2094 PHE N . 34439 1 479 . 1 . 1 83 83 THR H H 1 8.186 0.004 . 1 . . . . A 2095 THR H . 34439 1 480 . 1 . 1 83 83 THR HA H 1 4.375 0.006 . 1 . . . . A 2095 THR HA . 34439 1 481 . 1 . 1 83 83 THR HB H 1 3.698 0.007 . 1 . . . . A 2095 THR HB . 34439 1 482 . 1 . 1 83 83 THR HG21 H 1 1.045 0.011 . 1 . . . . A 2095 THR HG21 . 34439 1 483 . 1 . 1 83 83 THR HG22 H 1 1.045 0.011 . 1 . . . . A 2095 THR HG22 . 34439 1 484 . 1 . 1 83 83 THR HG23 H 1 1.045 0.011 . 1 . . . . A 2095 THR HG23 . 34439 1 485 . 1 . 1 83 83 THR C C 13 173.122 0.000 . 1 . . . . A 2095 THR C . 34439 1 486 . 1 . 1 83 83 THR CA C 13 60.342 0.184 . 1 . . . . A 2095 THR CA . 34439 1 487 . 1 . 1 83 83 THR CB C 13 70.369 0.211 . 1 . . . . A 2095 THR CB . 34439 1 488 . 1 . 1 83 83 THR CG2 C 13 22.056 0.194 . 1 . . . . A 2095 THR CG2 . 34439 1 489 . 1 . 1 83 83 THR N N 15 126.123 0.075 . 1 . . . . A 2095 THR N . 34439 1 490 . 1 . 1 84 84 PRO C C 13 176.497 0.000 . 1 . . . . A 2096 PRO C . 34439 1 491 . 1 . 1 84 84 PRO CA C 13 62.756 0.000 . 1 . . . . A 2096 PRO CA . 34439 1 492 . 1 . 1 84 84 PRO CB C 13 32.405 0.000 . 1 . . . . A 2096 PRO CB . 34439 1 493 . 1 . 1 85 85 ASP H H 1 8.270 0.014 . 1 . . . . A 2097 ASP H . 34439 1 494 . 1 . 1 85 85 ASP HA H 1 4.351 0.009 . 1 . . . . A 2097 ASP HA . 34439 1 495 . 1 . 1 85 85 ASP HB2 H 1 2.462 0.004 . 2 . . . . A 2097 ASP HB2 . 34439 1 496 . 1 . 1 85 85 ASP HB3 H 1 2.146 0.007 . 2 . . . . A 2097 ASP HB3 . 34439 1 497 . 1 . 1 85 85 ASP C C 13 178.426 0.006 . 1 . . . . A 2097 ASP C . 34439 1 498 . 1 . 1 85 85 ASP CA C 13 55.900 0.012 . 1 . . . . A 2097 ASP CA . 34439 1 499 . 1 . 1 85 85 ASP CB C 13 42.641 0.106 . 1 . . . . A 2097 ASP CB . 34439 1 500 . 1 . 1 85 85 ASP N N 15 122.542 0.073 . 1 . . . . A 2097 ASP N . 34439 1 501 . 1 . 1 86 86 LYS H H 1 8.848 0.005 . 1 . . . . A 2098 LYS H . 34439 1 502 . 1 . 1 86 86 LYS HA H 1 3.810 0.009 . 1 . . . . A 2098 LYS HA . 34439 1 503 . 1 . 1 86 86 LYS HB2 H 1 1.834 0.012 . 2 . . . . A 2098 LYS HB2 . 34439 1 504 . 1 . 1 86 86 LYS HB3 H 1 1.846 0.014 . 2 . . . . A 2098 LYS HB3 . 34439 1 505 . 1 . 1 86 86 LYS HG2 H 1 1.487 0.013 . 1 . . . . A 2098 LYS HG2 . 34439 1 506 . 1 . 1 86 86 LYS HG3 H 1 1.487 0.013 . 1 . . . . A 2098 LYS HG3 . 34439 1 507 . 1 . 1 86 86 LYS HD2 H 1 1.687 0.008 . 2 . . . . A 2098 LYS HD2 . 34439 1 508 . 1 . 1 86 86 LYS HD3 H 1 1.686 0.008 . 2 . . . . A 2098 LYS HD3 . 34439 1 509 . 1 . 1 86 86 LYS HE2 H 1 2.994 0.009 . 2 . . . . A 2098 LYS HE2 . 34439 1 510 . 1 . 1 86 86 LYS HE3 H 1 2.994 0.009 . 2 . . . . A 2098 LYS HE3 . 34439 1 511 . 1 . 1 86 86 LYS C C 13 177.001 0.006 . 1 . . . . A 2098 LYS C . 34439 1 512 . 1 . 1 86 86 LYS CA C 13 60.947 0.207 . 1 . . . . A 2098 LYS CA . 34439 1 513 . 1 . 1 86 86 LYS CB C 13 33.534 0.188 . 1 . . . . A 2098 LYS CB . 34439 1 514 . 1 . 1 86 86 LYS CG C 13 26.011 0.123 . 1 . . . . A 2098 LYS CG . 34439 1 515 . 1 . 1 86 86 LYS CD C 13 30.177 0.139 . 1 . . . . A 2098 LYS CD . 34439 1 516 . 1 . 1 86 86 LYS CE C 13 43.285 0.145 . 1 . . . . A 2098 LYS CE . 34439 1 517 . 1 . 1 86 86 LYS N N 15 125.120 0.026 . 1 . . . . A 2098 LYS N . 34439 1 518 . 1 . 1 87 87 GLN H H 1 8.602 0.003 . 1 . . . . A 2099 GLN H . 34439 1 519 . 1 . 1 87 87 GLN HA H 1 4.243 0.008 . 1 . . . . A 2099 GLN HA . 34439 1 520 . 1 . 1 87 87 GLN HB2 H 1 1.963 0.010 . 2 . . . . A 2099 GLN HB2 . 34439 1 521 . 1 . 1 87 87 GLN HB3 H 1 2.225 0.006 . 2 . . . . A 2099 GLN HB3 . 34439 1 522 . 1 . 1 87 87 GLN HG2 H 1 2.287 0.002 . 2 . . . . A 2099 GLN HG2 . 34439 1 523 . 1 . 1 87 87 GLN HG3 H 1 2.363 0.008 . 2 . . . . A 2099 GLN HG3 . 34439 1 524 . 1 . 1 87 87 GLN C C 13 175.691 0.007 . 1 . . . . A 2099 GLN C . 34439 1 525 . 1 . 1 87 87 GLN CA C 13 56.623 0.222 . 1 . . . . A 2099 GLN CA . 34439 1 526 . 1 . 1 87 87 GLN CB C 13 29.886 0.134 . 1 . . . . A 2099 GLN CB . 34439 1 527 . 1 . 1 87 87 GLN CG C 13 35.199 0.062 . 1 . . . . A 2099 GLN CG . 34439 1 528 . 1 . 1 87 87 GLN N N 15 114.166 0.023 . 1 . . . . A 2099 GLN N . 34439 1 529 . 1 . 1 88 88 PHE H H 1 7.561 0.006 . 1 . . . . A 2100 PHE H . 34439 1 530 . 1 . 1 88 88 PHE HA H 1 4.248 0.015 . 1 . . . . A 2100 PHE HA . 34439 1 531 . 1 . 1 88 88 PHE HB2 H 1 3.176 0.007 . 2 . . . . A 2100 PHE HB2 . 34439 1 532 . 1 . 1 88 88 PHE HB3 H 1 2.834 0.012 . 2 . . . . A 2100 PHE HB3 . 34439 1 533 . 1 . 1 88 88 PHE HD1 H 1 7.043 0.008 . 1 . . . . A 2100 PHE HD1 . 34439 1 534 . 1 . 1 88 88 PHE HD2 H 1 7.043 0.008 . 1 . . . . A 2100 PHE HD2 . 34439 1 535 . 1 . 1 88 88 PHE HE1 H 1 7.003 0.004 . 1 . . . . A 2100 PHE HE1 . 34439 1 536 . 1 . 1 88 88 PHE HE2 H 1 7.003 0.004 . 1 . . . . A 2100 PHE HE2 . 34439 1 537 . 1 . 1 88 88 PHE HZ H 1 6.624 0.006 . 1 . . . . A 2100 PHE HZ . 34439 1 538 . 1 . 1 88 88 PHE C C 13 173.866 0.021 . 1 . . . . A 2100 PHE C . 34439 1 539 . 1 . 1 88 88 PHE CA C 13 61.366 0.322 . 1 . . . . A 2100 PHE CA . 34439 1 540 . 1 . 1 88 88 PHE CB C 13 41.529 0.159 . 1 . . . . A 2100 PHE CB . 34439 1 541 . 1 . 1 88 88 PHE CD1 C 13 129.037 0.126 . 1 . . . . A 2100 PHE CD1 . 34439 1 542 . 1 . 1 88 88 PHE CD2 C 13 129.037 0.126 . 1 . . . . A 2100 PHE CD2 . 34439 1 543 . 1 . 1 88 88 PHE CZ C 13 126.005 0.097 . 1 . . . . A 2100 PHE CZ . 34439 1 544 . 1 . 1 88 88 PHE N N 15 121.009 0.038 . 1 . . . . A 2100 PHE N . 34439 1 545 . 1 . 1 89 89 VAL H H 1 7.128 0.006 . 1 . . . . A 2101 VAL H . 34439 1 546 . 1 . 1 89 89 VAL HA H 1 3.701 0.019 . 1 . . . . A 2101 VAL HA . 34439 1 547 . 1 . 1 89 89 VAL HB H 1 1.686 0.012 . 1 . . . . A 2101 VAL HB . 34439 1 548 . 1 . 1 89 89 VAL HG11 H 1 0.742 0.007 . 2 . . . . A 2101 VAL HG11 . 34439 1 549 . 1 . 1 89 89 VAL HG12 H 1 0.742 0.007 . 2 . . . . A 2101 VAL HG12 . 34439 1 550 . 1 . 1 89 89 VAL HG13 H 1 0.742 0.007 . 2 . . . . A 2101 VAL HG13 . 34439 1 551 . 1 . 1 89 89 VAL HG21 H 1 0.686 0.010 . 2 . . . . A 2101 VAL HG21 . 34439 1 552 . 1 . 1 89 89 VAL HG22 H 1 0.686 0.010 . 2 . . . . A 2101 VAL HG22 . 34439 1 553 . 1 . 1 89 89 VAL HG23 H 1 0.686 0.010 . 2 . . . . A 2101 VAL HG23 . 34439 1 554 . 1 . 1 89 89 VAL C C 13 173.215 0.000 . 1 . . . . A 2101 VAL C . 34439 1 555 . 1 . 1 89 89 VAL CA C 13 62.281 0.265 . 1 . . . . A 2101 VAL CA . 34439 1 556 . 1 . 1 89 89 VAL CB C 13 35.903 0.069 . 1 . . . . A 2101 VAL CB . 34439 1 557 . 1 . 1 89 89 VAL CG1 C 13 22.670 0.086 . 2 . . . . A 2101 VAL CG1 . 34439 1 558 . 1 . 1 89 89 VAL CG2 C 13 22.427 0.153 . 2 . . . . A 2101 VAL CG2 . 34439 1 559 . 1 . 1 89 89 VAL N N 15 125.039 0.046 . 1 . . . . A 2101 VAL N . 34439 1 560 . 1 . 1 92 92 PRO HA H 1 4.260 0.009 . 1 . . . . A 2104 PRO HA . 34439 1 561 . 1 . 1 92 92 PRO HB2 H 1 1.296 0.008 . 2 . . . . A 2104 PRO HB2 . 34439 1 562 . 1 . 1 92 92 PRO HB3 H 1 1.384 0.008 . 2 . . . . A 2104 PRO HB3 . 34439 1 563 . 1 . 1 92 92 PRO HG2 H 1 0.726 0.009 . 2 . . . . A 2104 PRO HG2 . 34439 1 564 . 1 . 1 92 92 PRO HG3 H 1 0.914 0.005 . 2 . . . . A 2104 PRO HG3 . 34439 1 565 . 1 . 1 92 92 PRO HD2 H 1 3.839 0.002 . 2 . . . . A 2104 PRO HD2 . 34439 1 566 . 1 . 1 92 92 PRO HD3 H 1 3.626 0.005 . 2 . . . . A 2104 PRO HD3 . 34439 1 567 . 1 . 1 92 92 PRO C C 13 175.279 0.000 . 1 . . . . A 2104 PRO C . 34439 1 568 . 1 . 1 92 92 PRO CA C 13 62.689 0.103 . 1 . . . . A 2104 PRO CA . 34439 1 569 . 1 . 1 92 92 PRO CB C 13 33.497 0.097 . 1 . . . . A 2104 PRO CB . 34439 1 570 . 1 . 1 92 92 PRO CG C 13 27.942 0.177 . 1 . . . . A 2104 PRO CG . 34439 1 571 . 1 . 1 92 92 PRO CD C 13 51.705 0.172 . 1 . . . . A 2104 PRO CD . 34439 1 572 . 1 . 1 93 93 ASP H H 1 9.135 0.004 . 1 . . . . A 2105 ASP H . 34439 1 573 . 1 . 1 93 93 ASP HA H 1 4.520 0.004 . 1 . . . . A 2105 ASP HA . 34439 1 574 . 1 . 1 93 93 ASP HB2 H 1 2.649 0.007 . 2 . . . . A 2105 ASP HB2 . 34439 1 575 . 1 . 1 93 93 ASP HB3 H 1 2.511 0.004 . 2 . . . . A 2105 ASP HB3 . 34439 1 576 . 1 . 1 93 93 ASP C C 13 175.027 0.000 . 1 . . . . A 2105 ASP C . 34439 1 577 . 1 . 1 93 93 ASP CA C 13 54.449 0.125 . 1 . . . . A 2105 ASP CA . 34439 1 578 . 1 . 1 93 93 ASP CB C 13 40.526 0.141 . 1 . . . . A 2105 ASP CB . 34439 1 579 . 1 . 1 93 93 ASP N N 15 124.207 0.027 . 1 . . . . A 2105 ASP N . 34439 1 580 . 1 . 1 94 94 PRO HA H 1 4.486 0.007 . 1 . . . . A 2106 PRO HA . 34439 1 581 . 1 . 1 94 94 PRO HB2 H 1 1.557 0.005 . 2 . . . . A 2106 PRO HB2 . 34439 1 582 . 1 . 1 94 94 PRO HB3 H 1 2.164 0.004 . 2 . . . . A 2106 PRO HB3 . 34439 1 583 . 1 . 1 94 94 PRO HG2 H 1 1.899 0.005 . 2 . . . . A 2106 PRO HG2 . 34439 1 584 . 1 . 1 94 94 PRO HG3 H 1 1.900 0.005 . 2 . . . . A 2106 PRO HG3 . 34439 1 585 . 1 . 1 94 94 PRO HD2 H 1 3.569 0.007 . 2 . . . . A 2106 PRO HD2 . 34439 1 586 . 1 . 1 94 94 PRO HD3 H 1 3.965 0.008 . 2 . . . . A 2106 PRO HD3 . 34439 1 587 . 1 . 1 94 94 PRO CA C 13 64.236 0.126 . 1 . . . . A 2106 PRO CA . 34439 1 588 . 1 . 1 94 94 PRO CB C 13 34.071 0.166 . 1 . . . . A 2106 PRO CB . 34439 1 589 . 1 . 1 94 94 PRO CG C 13 28.657 0.163 . 1 . . . . A 2106 PRO CG . 34439 1 590 . 1 . 1 94 94 PRO CD C 13 52.370 0.132 . 1 . . . . A 2106 PRO CD . 34439 1 591 . 1 . 1 95 95 VAL H H 1 7.185 0.005 . 1 . . . . A 2107 VAL H . 34439 1 592 . 1 . 1 95 95 VAL HA H 1 4.295 0.003 . 1 . . . . A 2107 VAL HA . 34439 1 593 . 1 . 1 95 95 VAL HB H 1 2.028 0.004 . 1 . . . . A 2107 VAL HB . 34439 1 594 . 1 . 1 95 95 VAL HG11 H 1 0.354 0.008 . 2 . . . . A 2107 VAL HG11 . 34439 1 595 . 1 . 1 95 95 VAL HG12 H 1 0.354 0.008 . 2 . . . . A 2107 VAL HG12 . 34439 1 596 . 1 . 1 95 95 VAL HG13 H 1 0.354 0.008 . 2 . . . . A 2107 VAL HG13 . 34439 1 597 . 1 . 1 95 95 VAL HG21 H 1 0.016 0.018 . 2 . . . . A 2107 VAL HG21 . 34439 1 598 . 1 . 1 95 95 VAL HG22 H 1 0.016 0.018 . 2 . . . . A 2107 VAL HG22 . 34439 1 599 . 1 . 1 95 95 VAL HG23 H 1 0.016 0.018 . 2 . . . . A 2107 VAL HG23 . 34439 1 600 . 1 . 1 95 95 VAL C C 13 172.764 0.013 . 1 . . . . A 2107 VAL C . 34439 1 601 . 1 . 1 95 95 VAL CA C 13 59.972 0.229 . 1 . . . . A 2107 VAL CA . 34439 1 602 . 1 . 1 95 95 VAL CB C 13 35.038 0.081 . 1 . . . . A 2107 VAL CB . 34439 1 603 . 1 . 1 95 95 VAL CG1 C 13 22.715 0.037 . 2 . . . . A 2107 VAL CG1 . 34439 1 604 . 1 . 1 95 95 VAL CG2 C 13 23.460 0.111 . 2 . . . . A 2107 VAL CG2 . 34439 1 605 . 1 . 1 95 95 VAL N N 15 119.165 0.035 . 1 . . . . A 2107 VAL N . 34439 1 606 . 1 . 1 96 96 THR H H 1 8.273 0.004 . 1 . . . . A 2108 THR H . 34439 1 607 . 1 . 1 96 96 THR HA H 1 4.663 0.013 . 1 . . . . A 2108 THR HA . 34439 1 608 . 1 . 1 96 96 THR HB H 1 3.974 0.007 . 1 . . . . A 2108 THR HB . 34439 1 609 . 1 . 1 96 96 THR HG21 H 1 1.103 0.012 . 1 . . . . A 2108 THR HG21 . 34439 1 610 . 1 . 1 96 96 THR HG22 H 1 1.103 0.012 . 1 . . . . A 2108 THR HG22 . 34439 1 611 . 1 . 1 96 96 THR HG23 H 1 1.103 0.012 . 1 . . . . A 2108 THR HG23 . 34439 1 612 . 1 . 1 96 96 THR C C 13 173.355 0.008 . 1 . . . . A 2108 THR C . 34439 1 613 . 1 . 1 96 96 THR CA C 13 63.525 0.068 . 1 . . . . A 2108 THR CA . 34439 1 614 . 1 . 1 96 96 THR CB C 13 70.711 0.249 . 1 . . . . A 2108 THR CB . 34439 1 615 . 1 . 1 96 96 THR CG2 C 13 23.126 0.311 . 1 . . . . A 2108 THR CG2 . 34439 1 616 . 1 . 1 96 96 THR N N 15 121.847 0.041 . 1 . . . . A 2108 THR N . 34439 1 617 . 1 . 1 97 97 VAL H H 1 9.428 0.009 . 1 . . . . A 2109 VAL H . 34439 1 618 . 1 . 1 97 97 VAL HA H 1 4.550 0.013 . 1 . . . . A 2109 VAL HA . 34439 1 619 . 1 . 1 97 97 VAL HB H 1 2.041 0.011 . 1 . . . . A 2109 VAL HB . 34439 1 620 . 1 . 1 97 97 VAL HG11 H 1 0.992 0.013 . 2 . . . . A 2109 VAL HG11 . 34439 1 621 . 1 . 1 97 97 VAL HG12 H 1 0.992 0.013 . 2 . . . . A 2109 VAL HG12 . 34439 1 622 . 1 . 1 97 97 VAL HG13 H 1 0.992 0.013 . 2 . . . . A 2109 VAL HG13 . 34439 1 623 . 1 . 1 97 97 VAL HG21 H 1 0.992 0.013 . 2 . . . . A 2109 VAL HG21 . 34439 1 624 . 1 . 1 97 97 VAL HG22 H 1 0.992 0.013 . 2 . . . . A 2109 VAL HG22 . 34439 1 625 . 1 . 1 97 97 VAL HG23 H 1 0.992 0.013 . 2 . . . . A 2109 VAL HG23 . 34439 1 626 . 1 . 1 97 97 VAL C C 13 173.312 0.000 . 1 . . . . A 2109 VAL C . 34439 1 627 . 1 . 1 97 97 VAL CA C 13 62.517 0.216 . 1 . . . . A 2109 VAL CA . 34439 1 628 . 1 . 1 97 97 VAL CB C 13 34.754 0.043 . 1 . . . . A 2109 VAL CB . 34439 1 629 . 1 . 1 97 97 VAL CG1 C 13 23.507 0.098 . 2 . . . . A 2109 VAL CG1 . 34439 1 630 . 1 . 1 97 97 VAL CG2 C 13 23.503 0.097 . 2 . . . . A 2109 VAL CG2 . 34439 1 631 . 1 . 1 97 97 VAL N N 15 127.506 0.035 . 1 . . . . A 2109 VAL N . 34439 1 632 . 1 . 1 98 98 LYS H H 1 9.369 0.005 . 1 . . . . A 2110 LYS H . 34439 1 633 . 1 . 1 98 98 LYS HA H 1 5.222 0.008 . 1 . . . . A 2110 LYS HA . 34439 1 634 . 1 . 1 98 98 LYS HB2 H 1 1.508 0.010 . 2 . . . . A 2110 LYS HB2 . 34439 1 635 . 1 . 1 98 98 LYS HB3 H 1 1.299 0.007 . 2 . . . . A 2110 LYS HB3 . 34439 1 636 . 1 . 1 98 98 LYS HG2 H 1 1.084 0.014 . 2 . . . . A 2110 LYS HG2 . 34439 1 637 . 1 . 1 98 98 LYS HG3 H 1 1.296 0.007 . 2 . . . . A 2110 LYS HG3 . 34439 1 638 . 1 . 1 98 98 LYS HD2 H 1 1.489 0.007 . 2 . . . . A 2110 LYS HD2 . 34439 1 639 . 1 . 1 98 98 LYS HD3 H 1 1.584 0.010 . 2 . . . . A 2110 LYS HD3 . 34439 1 640 . 1 . 1 98 98 LYS HE2 H 1 2.754 0.012 . 2 . . . . A 2110 LYS HE2 . 34439 1 641 . 1 . 1 98 98 LYS HE3 H 1 2.754 0.012 . 2 . . . . A 2110 LYS HE3 . 34439 1 642 . 1 . 1 98 98 LYS C C 13 175.074 0.004 . 1 . . . . A 2110 LYS C . 34439 1 643 . 1 . 1 98 98 LYS CA C 13 55.872 0.150 . 1 . . . . A 2110 LYS CA . 34439 1 644 . 1 . 1 98 98 LYS CB C 13 38.438 0.114 . 1 . . . . A 2110 LYS CB . 34439 1 645 . 1 . 1 98 98 LYS CG C 13 25.587 0.367 . 1 . . . . A 2110 LYS CG . 34439 1 646 . 1 . 1 98 98 LYS CD C 13 31.377 0.187 . 1 . . . . A 2110 LYS CD . 34439 1 647 . 1 . 1 98 98 LYS CE C 13 42.763 0.088 . 1 . . . . A 2110 LYS CE . 34439 1 648 . 1 . 1 98 98 LYS N N 15 126.064 0.035 . 1 . . . . A 2110 LYS N . 34439 1 649 . 1 . 1 99 99 ARG H H 1 8.730 0.005 . 1 . . . . A 2111 ARG H . 34439 1 650 . 1 . 1 99 99 ARG HA H 1 4.462 0.012 . 1 . . . . A 2111 ARG HA . 34439 1 651 . 1 . 1 99 99 ARG HB2 H 1 1.665 0.010 . 2 . . . . A 2111 ARG HB2 . 34439 1 652 . 1 . 1 99 99 ARG HB3 H 1 1.667 0.010 . 2 . . . . A 2111 ARG HB3 . 34439 1 653 . 1 . 1 99 99 ARG HG2 H 1 0.742 0.008 . 2 . . . . A 2111 ARG HG2 . 34439 1 654 . 1 . 1 99 99 ARG HG3 H 1 0.826 0.020 . 2 . . . . A 2111 ARG HG3 . 34439 1 655 . 1 . 1 99 99 ARG HD2 H 1 2.326 0.009 . 2 . . . . A 2111 ARG HD2 . 34439 1 656 . 1 . 1 99 99 ARG HD3 H 1 2.709 0.005 . 2 . . . . A 2111 ARG HD3 . 34439 1 657 . 1 . 1 99 99 ARG C C 13 173.723 0.000 . 1 . . . . A 2111 ARG C . 34439 1 658 . 1 . 1 99 99 ARG CA C 13 56.590 0.121 . 1 . . . . A 2111 ARG CA . 34439 1 659 . 1 . 1 99 99 ARG CB C 13 35.092 0.109 . 1 . . . . A 2111 ARG CB . 34439 1 660 . 1 . 1 99 99 ARG CD C 13 44.976 0.054 . 1 . . . . A 2111 ARG CD . 34439 1 661 . 1 . 1 99 99 ARG N N 15 124.368 0.033 . 1 . . . . A 2111 ARG N . 34439 1 662 . 1 . 1 100 100 VAL H H 1 8.132 0.009 . 1 . . . . A 2112 VAL H . 34439 1 663 . 1 . 1 100 100 VAL HA H 1 5.050 0.015 . 1 . . . . A 2112 VAL HA . 34439 1 664 . 1 . 1 100 100 VAL HB H 1 1.776 0.004 . 1 . . . . A 2112 VAL HB . 34439 1 665 . 1 . 1 100 100 VAL HG11 H 1 0.772 0.010 . 2 . . . . A 2112 VAL HG11 . 34439 1 666 . 1 . 1 100 100 VAL HG12 H 1 0.772 0.010 . 2 . . . . A 2112 VAL HG12 . 34439 1 667 . 1 . 1 100 100 VAL HG13 H 1 0.772 0.010 . 2 . . . . A 2112 VAL HG13 . 34439 1 668 . 1 . 1 100 100 VAL HG21 H 1 0.824 0.015 . 2 . . . . A 2112 VAL HG21 . 34439 1 669 . 1 . 1 100 100 VAL HG22 H 1 0.824 0.015 . 2 . . . . A 2112 VAL HG22 . 34439 1 670 . 1 . 1 100 100 VAL HG23 H 1 0.824 0.015 . 2 . . . . A 2112 VAL HG23 . 34439 1 671 . 1 . 1 100 100 VAL C C 13 175.636 0.012 . 1 . . . . A 2112 VAL C . 34439 1 672 . 1 . 1 100 100 VAL CA C 13 60.632 0.279 . 1 . . . . A 2112 VAL CA . 34439 1 673 . 1 . 1 100 100 VAL CB C 13 37.226 0.189 . 1 . . . . A 2112 VAL CB . 34439 1 674 . 1 . 1 100 100 VAL CG1 C 13 22.577 0.035 . 2 . . . . A 2112 VAL CG1 . 34439 1 675 . 1 . 1 100 100 VAL CG2 C 13 21.036 0.087 . 2 . . . . A 2112 VAL CG2 . 34439 1 676 . 1 . 1 100 100 VAL N N 15 112.191 0.109 . 1 . . . . A 2112 VAL N . 34439 1 677 . 1 . 1 101 101 ASP H H 1 8.362 0.004 . 1 . . . . A 2113 ASP H . 34439 1 678 . 1 . 1 101 101 ASP HA H 1 4.862 0.022 . 1 . . . . A 2113 ASP HA . 34439 1 679 . 1 . 1 101 101 ASP HB2 H 1 3.068 0.006 . 2 . . . . A 2113 ASP HB2 . 34439 1 680 . 1 . 1 101 101 ASP HB3 H 1 2.425 0.008 . 2 . . . . A 2113 ASP HB3 . 34439 1 681 . 1 . 1 101 101 ASP C C 13 179.508 0.001 . 1 . . . . A 2113 ASP C . 34439 1 682 . 1 . 1 101 101 ASP CA C 13 53.569 0.087 . 1 . . . . A 2113 ASP CA . 34439 1 683 . 1 . 1 101 101 ASP CB C 13 42.771 0.088 . 1 . . . . A 2113 ASP CB . 34439 1 684 . 1 . 1 101 101 ASP N N 15 121.179 0.043 . 1 . . . . A 2113 ASP N . 34439 1 685 . 1 . 1 102 102 LYS H H 1 8.191 0.006 . 1 . . . . A 2114 LYS H . 34439 1 686 . 1 . 1 102 102 LYS HA H 1 3.970 0.007 . 1 . . . . A 2114 LYS HA . 34439 1 687 . 1 . 1 102 102 LYS HB2 H 1 1.647 0.006 . 2 . . . . A 2114 LYS HB2 . 34439 1 688 . 1 . 1 102 102 LYS HB3 H 1 1.964 0.008 . 2 . . . . A 2114 LYS HB3 . 34439 1 689 . 1 . 1 102 102 LYS HG2 H 1 1.296 0.007 . 2 . . . . A 2114 LYS HG2 . 34439 1 690 . 1 . 1 102 102 LYS HG3 H 1 1.521 0.004 . 2 . . . . A 2114 LYS HG3 . 34439 1 691 . 1 . 1 102 102 LYS HD2 H 1 1.642 0.009 . 2 . . . . A 2114 LYS HD2 . 34439 1 692 . 1 . 1 102 102 LYS HD3 H 1 1.642 0.009 . 2 . . . . A 2114 LYS HD3 . 34439 1 693 . 1 . 1 102 102 LYS HE2 H 1 3.034 0.007 . 2 . . . . A 2114 LYS HE2 . 34439 1 694 . 1 . 1 102 102 LYS HE3 H 1 3.034 0.007 . 2 . . . . A 2114 LYS HE3 . 34439 1 695 . 1 . 1 102 102 LYS C C 13 176.247 0.006 . 1 . . . . A 2114 LYS C . 34439 1 696 . 1 . 1 102 102 LYS CA C 13 60.067 0.141 . 1 . . . . A 2114 LYS CA . 34439 1 697 . 1 . 1 102 102 LYS CB C 13 33.502 0.110 . 1 . . . . A 2114 LYS CB . 34439 1 698 . 1 . 1 102 102 LYS CG C 13 26.922 0.099 . 1 . . . . A 2114 LYS CG . 34439 1 699 . 1 . 1 102 102 LYS CD C 13 29.875 0.176 . 1 . . . . A 2114 LYS CD . 34439 1 700 . 1 . 1 102 102 LYS CE C 13 42.904 0.134 . 1 . . . . A 2114 LYS CE . 34439 1 701 . 1 . 1 102 102 LYS N N 15 116.475 0.042 . 1 . . . . A 2114 LYS N . 34439 1 702 . 1 . 1 103 103 ASN H H 1 8.293 0.006 . 1 . . . . A 2115 ASN H . 34439 1 703 . 1 . 1 103 103 ASN HA H 1 4.960 0.009 . 1 . . . . A 2115 ASN HA . 34439 1 704 . 1 . 1 103 103 ASN HB2 H 1 2.991 0.006 . 2 . . . . A 2115 ASN HB2 . 34439 1 705 . 1 . 1 103 103 ASN HB3 H 1 2.991 0.006 . 2 . . . . A 2115 ASN HB3 . 34439 1 706 . 1 . 1 103 103 ASN HD21 H 1 7.883 0.008 . 1 . . . . A 2115 ASN HD21 . 34439 1 707 . 1 . 1 103 103 ASN HD22 H 1 6.965 0.007 . 1 . . . . A 2115 ASN HD22 . 34439 1 708 . 1 . 1 103 103 ASN C C 13 176.062 0.003 . 1 . . . . A 2115 ASN C . 34439 1 709 . 1 . 1 103 103 ASN CA C 13 53.612 0.094 . 1 . . . . A 2115 ASN CA . 34439 1 710 . 1 . 1 103 103 ASN CB C 13 39.964 0.236 . 1 . . . . A 2115 ASN CB . 34439 1 711 . 1 . 1 103 103 ASN N N 15 116.525 0.035 . 1 . . . . A 2115 ASN N . 34439 1 712 . 1 . 1 103 103 ASN ND2 N 15 112.807 0.046 . 1 . . . . A 2115 ASN ND2 . 34439 1 713 . 1 . 1 104 104 GLY H H 1 8.346 0.006 . 1 . . . . A 2116 GLY H . 34439 1 714 . 1 . 1 104 104 GLY HA2 H 1 3.427 0.004 . 2 . . . . A 2116 GLY HA2 . 34439 1 715 . 1 . 1 104 104 GLY HA3 H 1 4.273 0.007 . 2 . . . . A 2116 GLY HA3 . 34439 1 716 . 1 . 1 104 104 GLY C C 13 173.811 0.037 . 1 . . . . A 2116 GLY C . 34439 1 717 . 1 . 1 104 104 GLY CA C 13 46.052 0.107 . 1 . . . . A 2116 GLY CA . 34439 1 718 . 1 . 1 104 104 GLY N N 15 108.840 0.039 . 1 . . . . A 2116 GLY N . 34439 1 719 . 1 . 1 105 105 THR H H 1 8.411 0.004 . 1 . . . . A 2117 THR H . 34439 1 720 . 1 . 1 105 105 THR HA H 1 4.412 0.004 . 1 . . . . A 2117 THR HA . 34439 1 721 . 1 . 1 105 105 THR HB H 1 4.258 0.013 . 1 . . . . A 2117 THR HB . 34439 1 722 . 1 . 1 105 105 THR HG21 H 1 1.285 0.006 . 1 . . . . A 2117 THR HG21 . 34439 1 723 . 1 . 1 105 105 THR HG22 H 1 1.285 0.006 . 1 . . . . A 2117 THR HG22 . 34439 1 724 . 1 . 1 105 105 THR HG23 H 1 1.285 0.006 . 1 . . . . A 2117 THR HG23 . 34439 1 725 . 1 . 1 105 105 THR C C 13 172.732 0.000 . 1 . . . . A 2117 THR C . 34439 1 726 . 1 . 1 105 105 THR CA C 13 61.849 0.115 . 1 . . . . A 2117 THR CA . 34439 1 727 . 1 . 1 105 105 THR CB C 13 70.065 0.217 . 1 . . . . A 2117 THR CB . 34439 1 728 . 1 . 1 105 105 THR CG2 C 13 23.417 0.025 . 1 . . . . A 2117 THR CG2 . 34439 1 729 . 1 . 1 105 105 THR N N 15 123.395 0.058 . 1 . . . . A 2117 THR N . 34439 1 730 . 1 . 1 106 106 PRO HA H 1 5.013 0.012 . 1 . . . . A 2118 PRO HA . 34439 1 731 . 1 . 1 106 106 PRO HB2 H 1 2.122 0.012 . 2 . . . . A 2118 PRO HB2 . 34439 1 732 . 1 . 1 106 106 PRO HB3 H 1 1.881 0.007 . 2 . . . . A 2118 PRO HB3 . 34439 1 733 . 1 . 1 106 106 PRO HG2 H 1 1.935 0.014 . 2 . . . . A 2118 PRO HG2 . 34439 1 734 . 1 . 1 106 106 PRO HG3 H 1 2.140 0.006 . 2 . . . . A 2118 PRO HG3 . 34439 1 735 . 1 . 1 106 106 PRO HD2 H 1 4.142 0.010 . 2 . . . . A 2118 PRO HD2 . 34439 1 736 . 1 . 1 106 106 PRO HD3 H 1 3.772 0.011 . 2 . . . . A 2118 PRO HD3 . 34439 1 737 . 1 . 1 106 106 PRO C C 13 175.885 0.002 . 1 . . . . A 2118 PRO C . 34439 1 738 . 1 . 1 106 106 PRO CA C 13 63.719 0.188 . 1 . . . . A 2118 PRO CA . 34439 1 739 . 1 . 1 106 106 PRO CB C 13 33.811 0.179 . 1 . . . . A 2118 PRO CB . 34439 1 740 . 1 . 1 106 106 PRO CG C 13 28.749 0.143 . 1 . . . . A 2118 PRO CG . 34439 1 741 . 1 . 1 106 106 PRO CD C 13 52.611 0.097 . 1 . . . . A 2118 PRO CD . 34439 1 742 . 1 . 1 107 107 VAL H H 1 8.825 0.004 . 1 . . . . A 2119 VAL H . 34439 1 743 . 1 . 1 107 107 VAL HA H 1 4.507 0.012 . 1 . . . . A 2119 VAL HA . 34439 1 744 . 1 . 1 107 107 VAL HB H 1 1.815 0.007 . 1 . . . . A 2119 VAL HB . 34439 1 745 . 1 . 1 107 107 VAL HG11 H 1 0.792 0.010 . 2 . . . . A 2119 VAL HG11 . 34439 1 746 . 1 . 1 107 107 VAL HG12 H 1 0.792 0.010 . 2 . . . . A 2119 VAL HG12 . 34439 1 747 . 1 . 1 107 107 VAL HG13 H 1 0.792 0.010 . 2 . . . . A 2119 VAL HG13 . 34439 1 748 . 1 . 1 107 107 VAL HG21 H 1 0.875 0.009 . 2 . . . . A 2119 VAL HG21 . 34439 1 749 . 1 . 1 107 107 VAL HG22 H 1 0.875 0.009 . 2 . . . . A 2119 VAL HG22 . 34439 1 750 . 1 . 1 107 107 VAL HG23 H 1 0.875 0.009 . 2 . . . . A 2119 VAL HG23 . 34439 1 751 . 1 . 1 107 107 VAL C C 13 174.775 0.012 . 1 . . . . A 2119 VAL C . 34439 1 752 . 1 . 1 107 107 VAL CA C 13 61.831 0.197 . 1 . . . . A 2119 VAL CA . 34439 1 753 . 1 . 1 107 107 VAL CB C 13 35.866 0.174 . 1 . . . . A 2119 VAL CB . 34439 1 754 . 1 . 1 107 107 VAL CG1 C 13 21.687 0.065 . 2 . . . . A 2119 VAL CG1 . 34439 1 755 . 1 . 1 107 107 VAL CG2 C 13 22.661 0.085 . 2 . . . . A 2119 VAL CG2 . 34439 1 756 . 1 . 1 107 107 VAL N N 15 122.113 0.025 . 1 . . . . A 2119 VAL N . 34439 1 757 . 1 . 1 108 108 THR H H 1 8.372 0.007 . 1 . . . . A 2120 THR H . 34439 1 758 . 1 . 1 108 108 THR HA H 1 5.984 0.018 . 1 . . . . A 2120 THR HA . 34439 1 759 . 1 . 1 108 108 THR HB H 1 4.134 0.007 . 1 . . . . A 2120 THR HB . 34439 1 760 . 1 . 1 108 108 THR HG21 H 1 1.078 0.010 . 1 . . . . A 2120 THR HG21 . 34439 1 761 . 1 . 1 108 108 THR HG22 H 1 1.078 0.010 . 1 . . . . A 2120 THR HG22 . 34439 1 762 . 1 . 1 108 108 THR HG23 H 1 1.078 0.010 . 1 . . . . A 2120 THR HG23 . 34439 1 763 . 1 . 1 108 108 THR C C 13 174.228 0.009 . 1 . . . . A 2120 THR C . 34439 1 764 . 1 . 1 108 108 THR CA C 13 60.085 0.057 . 1 . . . . A 2120 THR CA . 34439 1 765 . 1 . 1 108 108 THR CB C 13 73.557 0.233 . 1 . . . . A 2120 THR CB . 34439 1 766 . 1 . 1 108 108 THR CG2 C 13 22.300 0.157 . 1 . . . . A 2120 THR CG2 . 34439 1 767 . 1 . 1 108 108 THR N N 15 113.252 0.048 . 1 . . . . A 2120 THR N . 34439 1 768 . 1 . 1 109 109 ALA H H 1 8.904 0.007 . 1 . . . . A 2121 ALA H . 34439 1 769 . 1 . 1 109 109 ALA HA H 1 4.661 0.009 . 1 . . . . A 2121 ALA HA . 34439 1 770 . 1 . 1 109 109 ALA HB1 H 1 0.836 0.009 . 1 . . . . A 2121 ALA HB1 . 34439 1 771 . 1 . 1 109 109 ALA HB2 H 1 0.836 0.009 . 1 . . . . A 2121 ALA HB2 . 34439 1 772 . 1 . 1 109 109 ALA HB3 H 1 0.836 0.009 . 1 . . . . A 2121 ALA HB3 . 34439 1 773 . 1 . 1 109 109 ALA C C 13 176.191 0.000 . 1 . . . . A 2121 ALA C . 34439 1 774 . 1 . 1 109 109 ALA CA C 13 52.603 0.097 . 1 . . . . A 2121 ALA CA . 34439 1 775 . 1 . 1 109 109 ALA CB C 13 24.782 0.162 . 1 . . . . A 2121 ALA CB . 34439 1 776 . 1 . 1 109 109 ALA N N 15 121.153 0.078 . 1 . . . . A 2121 ALA N . 34439 1 777 . 1 . 1 110 110 THR H H 1 8.265 0.005 . 1 . . . . A 2122 THR H . 34439 1 778 . 1 . 1 110 110 THR HA H 1 5.507 0.011 . 1 . . . . A 2122 THR HA . 34439 1 779 . 1 . 1 110 110 THR HB H 1 4.670 0.000 . 1 . . . . A 2122 THR HB . 34439 1 780 . 1 . 1 110 110 THR HG21 H 1 1.092 0.000 . 1 . . . . A 2122 THR HG21 . 34439 1 781 . 1 . 1 110 110 THR HG22 H 1 1.092 0.000 . 1 . . . . A 2122 THR HG22 . 34439 1 782 . 1 . 1 110 110 THR HG23 H 1 1.092 0.000 . 1 . . . . A 2122 THR HG23 . 34439 1 783 . 1 . 1 110 110 THR N N 15 109.478 0.112 . 1 . . . . A 2122 THR N . 34439 1 784 . 1 . 1 111 111 TYR HA H 1 5.440 0.013 . 1 . . . . A 2123 TYR HA . 34439 1 785 . 1 . 1 111 111 TYR HB2 H 1 2.753 0.011 . 2 . . . . A 2123 TYR HB2 . 34439 1 786 . 1 . 1 111 111 TYR HB3 H 1 2.591 0.006 . 2 . . . . A 2123 TYR HB3 . 34439 1 787 . 1 . 1 111 111 TYR HD1 H 1 6.872 0.010 . 1 . . . . A 2123 TYR HD1 . 34439 1 788 . 1 . 1 111 111 TYR HD2 H 1 6.872 0.010 . 1 . . . . A 2123 TYR HD2 . 34439 1 789 . 1 . 1 111 111 TYR HE1 H 1 6.412 0.011 . 1 . . . . A 2123 TYR HE1 . 34439 1 790 . 1 . 1 111 111 TYR HE2 H 1 6.412 0.011 . 1 . . . . A 2123 TYR HE2 . 34439 1 791 . 1 . 1 111 111 TYR C C 13 172.982 0.000 . 1 . . . . A 2123 TYR C . 34439 1 792 . 1 . 1 111 111 TYR CA C 13 56.737 0.031 . 1 . . . . A 2123 TYR CA . 34439 1 793 . 1 . 1 111 111 TYR CB C 13 41.768 0.085 . 1 . . . . A 2123 TYR CB . 34439 1 794 . 1 . 1 111 111 TYR CD1 C 13 129.586 0.117 . 1 . . . . A 2123 TYR CD1 . 34439 1 795 . 1 . 1 111 111 TYR CD2 C 13 129.586 0.117 . 1 . . . . A 2123 TYR CD2 . 34439 1 796 . 1 . 1 111 111 TYR CE1 C 13 114.858 0.158 . 1 . . . . A 2123 TYR CE1 . 34439 1 797 . 1 . 1 111 111 TYR CE2 C 13 114.858 0.158 . 1 . . . . A 2123 TYR CE2 . 34439 1 798 . 1 . 1 112 112 SER H H 1 7.631 0.006 . 1 . . . . A 2124 SER H . 34439 1 799 . 1 . 1 112 112 SER HA H 1 4.833 0.004 . 1 . . . . A 2124 SER HA . 34439 1 800 . 1 . 1 112 112 SER HB2 H 1 3.675 0.003 . 2 . . . . A 2124 SER HB2 . 34439 1 801 . 1 . 1 112 112 SER HB3 H 1 3.608 0.009 . 2 . . . . A 2124 SER HB3 . 34439 1 802 . 1 . 1 112 112 SER C C 13 171.522 0.000 . 1 . . . . A 2124 SER C . 34439 1 803 . 1 . 1 112 112 SER CA C 13 54.948 0.005 . 1 . . . . A 2124 SER CA . 34439 1 804 . 1 . 1 112 112 SER CB C 13 65.504 0.186 . 1 . . . . A 2124 SER CB . 34439 1 805 . 1 . 1 112 112 SER N N 15 120.774 0.069 . 1 . . . . A 2124 SER N . 34439 1 806 . 1 . 1 115 115 PHE HA H 1 5.213 0.006 . 1 . . . . A 2127 PHE HA . 34439 1 807 . 1 . 1 115 115 PHE HB2 H 1 2.819 0.003 . 2 . . . . A 2127 PHE HB2 . 34439 1 808 . 1 . 1 115 115 PHE HB3 H 1 2.697 0.002 . 2 . . . . A 2127 PHE HB3 . 34439 1 809 . 1 . 1 115 115 PHE C C 13 176.778 0.000 . 1 . . . . A 2127 PHE C . 34439 1 810 . 1 . 1 115 115 PHE CA C 13 57.802 0.031 . 1 . . . . A 2127 PHE CA . 34439 1 811 . 1 . 1 115 115 PHE CB C 13 43.381 0.060 . 1 . . . . A 2127 PHE CB . 34439 1 812 . 1 . 1 116 116 THR H H 1 9.052 0.013 . 1 . . . . A 2128 THR H . 34439 1 813 . 1 . 1 116 116 THR HA H 1 4.217 0.000 . 1 . . . . A 2128 THR HA . 34439 1 814 . 1 . 1 116 116 THR HB H 1 4.475 0.008 . 1 . . . . A 2128 THR HB . 34439 1 815 . 1 . 1 116 116 THR HG21 H 1 1.055 0.008 . 1 . . . . A 2128 THR HG21 . 34439 1 816 . 1 . 1 116 116 THR HG22 H 1 1.055 0.008 . 1 . . . . A 2128 THR HG22 . 34439 1 817 . 1 . 1 116 116 THR HG23 H 1 1.055 0.008 . 1 . . . . A 2128 THR HG23 . 34439 1 818 . 1 . 1 116 116 THR CA C 13 61.382 0.036 . 1 . . . . A 2128 THR CA . 34439 1 819 . 1 . 1 116 116 THR CB C 13 71.132 0.121 . 1 . . . . A 2128 THR CB . 34439 1 820 . 1 . 1 116 116 THR CG2 C 13 22.592 0.043 . 1 . . . . A 2128 THR CG2 . 34439 1 821 . 1 . 1 116 116 THR N N 15 117.537 0.074 . 1 . . . . A 2128 THR N . 34439 1 822 . 1 . 1 117 117 LYS H H 1 8.583 0.008 . 1 . . . . A 2129 LYS H . 34439 1 823 . 1 . 1 117 117 LYS HA H 1 4.301 0.007 . 1 . . . . A 2129 LYS HA . 34439 1 824 . 1 . 1 117 117 LYS HB2 H 1 1.767 0.016 . 2 . . . . A 2129 LYS HB2 . 34439 1 825 . 1 . 1 117 117 LYS HB3 H 1 1.780 0.023 . 2 . . . . A 2129 LYS HB3 . 34439 1 826 . 1 . 1 117 117 LYS HG2 H 1 1.455 0.005 . 2 . . . . A 2129 LYS HG2 . 34439 1 827 . 1 . 1 117 117 LYS HG3 H 1 1.455 0.005 . 2 . . . . A 2129 LYS HG3 . 34439 1 828 . 1 . 1 117 117 LYS HD2 H 1 1.686 0.015 . 2 . . . . A 2129 LYS HD2 . 34439 1 829 . 1 . 1 117 117 LYS HD3 H 1 1.685 0.015 . 2 . . . . A 2129 LYS HD3 . 34439 1 830 . 1 . 1 117 117 LYS HE2 H 1 2.982 0.006 . 2 . . . . A 2129 LYS HE2 . 34439 1 831 . 1 . 1 117 117 LYS HE3 H 1 2.982 0.006 . 2 . . . . A 2129 LYS HE3 . 34439 1 832 . 1 . 1 117 117 LYS C C 13 176.376 0.005 . 1 . . . . A 2129 LYS C . 34439 1 833 . 1 . 1 117 117 LYS CA C 13 58.302 0.211 . 1 . . . . A 2129 LYS CA . 34439 1 834 . 1 . 1 117 117 LYS CB C 13 34.538 0.169 . 1 . . . . A 2129 LYS CB . 34439 1 835 . 1 . 1 117 117 LYS CG C 13 25.953 0.119 . 1 . . . . A 2129 LYS CG . 34439 1 836 . 1 . 1 117 117 LYS CD C 13 30.291 0.080 . 1 . . . . A 2129 LYS CD . 34439 1 837 . 1 . 1 117 117 LYS CE C 13 43.382 0.083 . 1 . . . . A 2129 LYS CE . 34439 1 838 . 1 . 1 117 117 LYS N N 15 122.662 0.049 . 1 . . . . A 2129 LYS N . 34439 1 839 . 1 . 1 118 118 VAL H H 1 8.085 0.008 . 1 . . . . A 2130 VAL H . 34439 1 840 . 1 . 1 118 118 VAL HA H 1 4.062 0.006 . 1 . . . . A 2130 VAL HA . 34439 1 841 . 1 . 1 118 118 VAL HB H 1 2.039 0.005 . 1 . . . . A 2130 VAL HB . 34439 1 842 . 1 . 1 118 118 VAL HG11 H 1 0.960 0.012 . 2 . . . . A 2130 VAL HG11 . 34439 1 843 . 1 . 1 118 118 VAL HG12 H 1 0.960 0.012 . 2 . . . . A 2130 VAL HG12 . 34439 1 844 . 1 . 1 118 118 VAL HG13 H 1 0.960 0.012 . 2 . . . . A 2130 VAL HG13 . 34439 1 845 . 1 . 1 118 118 VAL HG21 H 1 0.957 0.012 . 2 . . . . A 2130 VAL HG21 . 34439 1 846 . 1 . 1 118 118 VAL HG22 H 1 0.957 0.012 . 2 . . . . A 2130 VAL HG22 . 34439 1 847 . 1 . 1 118 118 VAL HG23 H 1 0.957 0.012 . 2 . . . . A 2130 VAL HG23 . 34439 1 848 . 1 . 1 118 118 VAL C C 13 180.942 0.000 . 1 . . . . A 2130 VAL C . 34439 1 849 . 1 . 1 118 118 VAL CA C 13 65.116 0.157 . 1 . . . . A 2130 VAL CA . 34439 1 850 . 1 . 1 118 118 VAL CB C 13 34.189 0.066 . 1 . . . . A 2130 VAL CB . 34439 1 851 . 1 . 1 118 118 VAL CG1 C 13 22.613 0.117 . 1 . . . . A 2130 VAL CG1 . 34439 1 852 . 1 . 1 118 118 VAL CG2 C 13 22.613 0.117 . 1 . . . . A 2130 VAL CG2 . 34439 1 853 . 1 . 1 118 118 VAL N N 15 127.867 0.063 . 1 . . . . A 2130 VAL N . 34439 1 stop_ save_