data_50542 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50542 _Entry.Title ; Alpha-endosulfine (ENSA) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-30 _Entry.Accession_date 2020-10-30 _Entry.Last_release_date 2020-10-30 _Entry.Original_release_date 2020-10-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Chandan Thapa . . . . 50542 2 Ulla Pentikainen . . . . 50542 3 Perttu Permi . . . . 50542 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Jyvaskyla' . 50542 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50542 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 50542 '15N chemical shifts' 119 50542 '1H chemical shifts' 239 50542 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-01-20 2020-10-30 update BMRB 'update entry citation' 50542 1 . . 2021-08-10 2020-10-30 original author 'original release' 50542 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50542 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34346186 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interaction mechanism of endogenous PP2A inhibitor protein ENSA with PP2A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 289 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 519 _Citation.Page_last 534 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chandan Thapa . . . . 50542 1 2 Pekka Roivas . . . . 50542 1 3 Tatu Haataja . . . . 50542 1 4 Perttu Permi . . . . 50542 1 5 Ulla Pentikainen . . . . 50542 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein Phosphatse 2A inhibitor proteins' 50542 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50542 _Assembly.ID 1 _Assembly.Name 'ENSA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 ENSA 1 $entity_1 . . yes native no no . . . 50542 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50542 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSQKQEEENPAEETGEEKQD TQEKEGILPERAEEAKLKAK YPSLGQKPGGSDFLMKRLQK GQKYFDSGDYNMAKAKMKNK QLPSAGPDKNLVTGDHIPTP QDLPQRKSSLVTSKLAGGQV E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Specifically inhibits Protein phosphatase during mitosis' 50542 1 'also stimulates insulin secretion by interacting with sulphonylurea receptor.' 50542 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50542 1 2 . SER . 50542 1 3 . GLN . 50542 1 4 . LYS . 50542 1 5 . GLN . 50542 1 6 . GLU . 50542 1 7 . GLU . 50542 1 8 . GLU . 50542 1 9 . ASN . 50542 1 10 . PRO . 50542 1 11 . ALA . 50542 1 12 . GLU . 50542 1 13 . GLU . 50542 1 14 . THR . 50542 1 15 . GLY . 50542 1 16 . GLU . 50542 1 17 . GLU . 50542 1 18 . LYS . 50542 1 19 . GLN . 50542 1 20 . ASP . 50542 1 21 . THR . 50542 1 22 . GLN . 50542 1 23 . GLU . 50542 1 24 . LYS . 50542 1 25 . GLU . 50542 1 26 . GLY . 50542 1 27 . ILE . 50542 1 28 . LEU . 50542 1 29 . PRO . 50542 1 30 . GLU . 50542 1 31 . ARG . 50542 1 32 . ALA . 50542 1 33 . GLU . 50542 1 34 . GLU . 50542 1 35 . ALA . 50542 1 36 . LYS . 50542 1 37 . LEU . 50542 1 38 . LYS . 50542 1 39 . ALA . 50542 1 40 . LYS . 50542 1 41 . TYR . 50542 1 42 . PRO . 50542 1 43 . SER . 50542 1 44 . LEU . 50542 1 45 . GLY . 50542 1 46 . GLN . 50542 1 47 . LYS . 50542 1 48 . PRO . 50542 1 49 . GLY . 50542 1 50 . GLY . 50542 1 51 . SER . 50542 1 52 . ASP . 50542 1 53 . PHE . 50542 1 54 . LEU . 50542 1 55 . MET . 50542 1 56 . LYS . 50542 1 57 . ARG . 50542 1 58 . LEU . 50542 1 59 . GLN . 50542 1 60 . LYS . 50542 1 61 . GLY . 50542 1 62 . GLN . 50542 1 63 . LYS . 50542 1 64 . TYR . 50542 1 65 . PHE . 50542 1 66 . ASP . 50542 1 67 . SER . 50542 1 68 . GLY . 50542 1 69 . ASP . 50542 1 70 . TYR . 50542 1 71 . ASN . 50542 1 72 . MET . 50542 1 73 . ALA . 50542 1 74 . LYS . 50542 1 75 . ALA . 50542 1 76 . LYS . 50542 1 77 . MET . 50542 1 78 . LYS . 50542 1 79 . ASN . 50542 1 80 . LYS . 50542 1 81 . GLN . 50542 1 82 . LEU . 50542 1 83 . PRO . 50542 1 84 . SER . 50542 1 85 . ALA . 50542 1 86 . GLY . 50542 1 87 . PRO . 50542 1 88 . ASP . 50542 1 89 . LYS . 50542 1 90 . ASN . 50542 1 91 . LEU . 50542 1 92 . VAL . 50542 1 93 . THR . 50542 1 94 . GLY . 50542 1 95 . ASP . 50542 1 96 . HIS . 50542 1 97 . ILE . 50542 1 98 . PRO . 50542 1 99 . THR . 50542 1 100 . PRO . 50542 1 101 . GLN . 50542 1 102 . ASP . 50542 1 103 . LEU . 50542 1 104 . PRO . 50542 1 105 . GLN . 50542 1 106 . ARG . 50542 1 107 . LYS . 50542 1 108 . SER . 50542 1 109 . SER . 50542 1 110 . LEU . 50542 1 111 . VAL . 50542 1 112 . THR . 50542 1 113 . SER . 50542 1 114 . LYS . 50542 1 115 . LEU . 50542 1 116 . ALA . 50542 1 117 . GLY . 50542 1 118 . GLY . 50542 1 119 . GLN . 50542 1 120 . VAL . 50542 1 121 . GLU . 50542 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 50542 1 . SER 2 2 50542 1 . GLN 3 3 50542 1 . LYS 4 4 50542 1 . GLN 5 5 50542 1 . GLU 6 6 50542 1 . GLU 7 7 50542 1 . GLU 8 8 50542 1 . ASN 9 9 50542 1 . PRO 10 10 50542 1 . ALA 11 11 50542 1 . GLU 12 12 50542 1 . GLU 13 13 50542 1 . THR 14 14 50542 1 . GLY 15 15 50542 1 . GLU 16 16 50542 1 . GLU 17 17 50542 1 . LYS 18 18 50542 1 . GLN 19 19 50542 1 . ASP 20 20 50542 1 . THR 21 21 50542 1 . GLN 22 22 50542 1 . GLU 23 23 50542 1 . LYS 24 24 50542 1 . GLU 25 25 50542 1 . GLY 26 26 50542 1 . ILE 27 27 50542 1 . LEU 28 28 50542 1 . PRO 29 29 50542 1 . GLU 30 30 50542 1 . ARG 31 31 50542 1 . ALA 32 32 50542 1 . GLU 33 33 50542 1 . GLU 34 34 50542 1 . ALA 35 35 50542 1 . LYS 36 36 50542 1 . LEU 37 37 50542 1 . LYS 38 38 50542 1 . ALA 39 39 50542 1 . LYS 40 40 50542 1 . TYR 41 41 50542 1 . PRO 42 42 50542 1 . SER 43 43 50542 1 . LEU 44 44 50542 1 . GLY 45 45 50542 1 . GLN 46 46 50542 1 . LYS 47 47 50542 1 . PRO 48 48 50542 1 . GLY 49 49 50542 1 . GLY 50 50 50542 1 . SER 51 51 50542 1 . ASP 52 52 50542 1 . PHE 53 53 50542 1 . LEU 54 54 50542 1 . MET 55 55 50542 1 . LYS 56 56 50542 1 . ARG 57 57 50542 1 . LEU 58 58 50542 1 . GLN 59 59 50542 1 . LYS 60 60 50542 1 . GLY 61 61 50542 1 . GLN 62 62 50542 1 . LYS 63 63 50542 1 . TYR 64 64 50542 1 . PHE 65 65 50542 1 . ASP 66 66 50542 1 . SER 67 67 50542 1 . GLY 68 68 50542 1 . ASP 69 69 50542 1 . TYR 70 70 50542 1 . ASN 71 71 50542 1 . MET 72 72 50542 1 . ALA 73 73 50542 1 . LYS 74 74 50542 1 . ALA 75 75 50542 1 . LYS 76 76 50542 1 . MET 77 77 50542 1 . LYS 78 78 50542 1 . ASN 79 79 50542 1 . LYS 80 80 50542 1 . GLN 81 81 50542 1 . LEU 82 82 50542 1 . PRO 83 83 50542 1 . SER 84 84 50542 1 . ALA 85 85 50542 1 . GLY 86 86 50542 1 . PRO 87 87 50542 1 . ASP 88 88 50542 1 . LYS 89 89 50542 1 . ASN 90 90 50542 1 . LEU 91 91 50542 1 . VAL 92 92 50542 1 . THR 93 93 50542 1 . GLY 94 94 50542 1 . ASP 95 95 50542 1 . HIS 96 96 50542 1 . ILE 97 97 50542 1 . PRO 98 98 50542 1 . THR 99 99 50542 1 . PRO 100 100 50542 1 . GLN 101 101 50542 1 . ASP 102 102 50542 1 . LEU 103 103 50542 1 . PRO 104 104 50542 1 . GLN 105 105 50542 1 . ARG 106 106 50542 1 . LYS 107 107 50542 1 . SER 108 108 50542 1 . SER 109 109 50542 1 . LEU 110 110 50542 1 . VAL 111 111 50542 1 . THR 112 112 50542 1 . SER 113 113 50542 1 . LYS 114 114 50542 1 . LEU 115 115 50542 1 . ALA 116 116 50542 1 . GLY 117 117 50542 1 . GLY 118 118 50542 1 . GLN 119 119 50542 1 . VAL 120 120 50542 1 . GLU 121 121 50542 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50542 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ENSA . 50542 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50542 _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' . . . Escherichia coli BL21(GOLD) . . plasmid . . pGTvL1-SGC . . . 50542 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50542 _Sample.ID 1 _Sample.Name '13C 15N ENSA' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Alpha-endosulfine (ENSA)' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.65 0.5 0.8 mM . . . . 50542 1 2 'Ammonium Chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 50542 1 3 D-glucose '[U-100% 13C]' . . . . . . 2 . . g/L . . . . 50542 1 4 'ammonium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50542 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50542 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50542 1 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 50542 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50542 _Sample.ID 2 _Sample.Name '15N ENSA' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Alpha-endosulfine (ENSA)' '[U-99% 15N]' . . 1 $entity_1 . . 0.65 0.5 0.8 mM . . . . 50542 2 2 'Ammonium Chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 50542 2 3 D-glucose '[U-100% 13C]' . . . . . . 2 . . g/L . . . . 50542 2 4 'ammonium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50542 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50542 2 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50542 2 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 50542 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50542 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample condition_ENSA' _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 pH 6.5 . pH 50542 1 temperature 298 . K 50542 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50542 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.8 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50542 1 processing . 50542 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50542 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50542 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 50542 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AvanceIII HD 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50542 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 5 '3D i(HCA)CO(CA)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 6 '3D iHA(CA)NCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 7 '3D HA(CA)CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 1 8 '3D HA(CA)CON(CA)HA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50542 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 50542 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Referenced chemical shifts' _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 0.00 external indirect 0.251449530 . . . . . 50542 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50542 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 50542 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 50542 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone chemical shifts' _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' . . . 50542 1 2 '3D CBCA(CO)NH' . . . 50542 1 3 '3D HNCACB' . . . 50542 1 4 '3D HNCO' . . . 50542 1 5 '3D i(HCA)CO(CA)NH' . . . 50542 1 6 '3D iHA(CA)NCO' . . . 50542 1 7 '3D HA(CA)CON' . . . 50542 1 8 '3D HA(CA)CON(CA)HA' . . . 50542 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50542 1 2 $software_2 . . 50542 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.415 0.000 . . . . . . . 1 MET HA . 50542 1 2 . 1 . 1 1 1 MET C C 13 176.063 0.008 . . . . . . . 1 MET C . 50542 1 3 . 1 . 1 1 1 MET CA C 13 55.715 0.036 . . . . . . . 1 MET CA . 50542 1 4 . 1 . 1 1 1 MET CB C 13 32.872 0.015 . . . . . . . 1 MET CB . 50542 1 5 . 1 . 1 1 1 MET N N 15 121.333 0.000 . . . . . . . 1 MET N . 50542 1 6 . 1 . 1 2 2 SER H H 1 8.295 0.001 . . . . . . . 2 SER H . 50542 1 7 . 1 . 1 2 2 SER HA H 1 4.301 0.000 . . . . . . . 2 SER HA . 50542 1 8 . 1 . 1 2 2 SER C C 13 174.264 0.007 . . . . . . . 2 SER C . 50542 1 9 . 1 . 1 2 2 SER CA C 13 58.390 0.000 . . . . . . . 2 SER CA . 50542 1 10 . 1 . 1 2 2 SER CB C 13 63.664 0.000 . . . . . . . 2 SER CB . 50542 1 11 . 1 . 1 2 2 SER N N 15 117.109 0.009 . . . . . . . 2 SER N . 50542 1 12 . 1 . 1 3 3 GLN H H 1 8.256 0.003 . . . . . . . 3 GLN H . 50542 1 13 . 1 . 1 3 3 GLN HA H 1 4.204 0.000 . . . . . . . 3 GLN HA . 50542 1 14 . 1 . 1 3 3 GLN C C 13 175.689 0.008 . . . . . . . 3 GLN C . 50542 1 15 . 1 . 1 3 3 GLN CA C 13 55.872 0.049 . . . . . . . 3 GLN CA . 50542 1 16 . 1 . 1 3 3 GLN CB C 13 29.397 0.032 . . . . . . . 3 GLN CB . 50542 1 17 . 1 . 1 3 3 GLN N N 15 122.131 0.031 . . . . . . . 3 GLN N . 50542 1 18 . 1 . 1 4 4 LYS H H 1 8.210 0.001 . . . . . . . 4 LYS H . 50542 1 19 . 1 . 1 4 4 LYS HA H 1 4.152 0.000 . . . . . . . 4 LYS HA . 50542 1 20 . 1 . 1 4 4 LYS C C 13 176.370 0.004 . . . . . . . 4 LYS C . 50542 1 21 . 1 . 1 4 4 LYS CA C 13 56.462 0.090 . . . . . . . 4 LYS CA . 50542 1 22 . 1 . 1 4 4 LYS CB C 13 33.000 0.048 . . . . . . . 4 LYS CB . 50542 1 23 . 1 . 1 4 4 LYS N N 15 122.596 0.004 . . . . . . . 4 LYS N . 50542 1 24 . 1 . 1 5 5 GLN H H 1 8.355 0.001 . . . . . . . 5 GLN H . 50542 1 25 . 1 . 1 5 5 GLN HA H 1 4.165 0.001 . . . . . . . 5 GLN HA . 50542 1 26 . 1 . 1 5 5 GLN C C 13 175.915 0.005 . . . . . . . 5 GLN C . 50542 1 27 . 1 . 1 5 5 GLN CA C 13 55.884 0.142 . . . . . . . 5 GLN CA . 50542 1 28 . 1 . 1 5 5 GLN CB C 13 29.526 0.164 . . . . . . . 5 GLN CB . 50542 1 29 . 1 . 1 5 5 GLN N N 15 122.213 0.011 . . . . . . . 5 GLN N . 50542 1 30 . 1 . 1 6 6 GLU H H 1 8.363 0.001 . . . . . . . 6 GLU H . 50542 1 31 . 1 . 1 6 6 GLU HA H 1 4.125 0.002 . . . . . . . 6 GLU HA . 50542 1 32 . 1 . 1 6 6 GLU C C 13 176.324 0.020 . . . . . . . 6 GLU C . 50542 1 33 . 1 . 1 6 6 GLU CA C 13 56.791 0.063 . . . . . . . 6 GLU CA . 50542 1 34 . 1 . 1 6 6 GLU CB C 13 30.146 0.026 . . . . . . . 6 GLU CB . 50542 1 35 . 1 . 1 6 6 GLU N N 15 121.858 0.011 . . . . . . . 6 GLU N . 50542 1 36 . 1 . 1 7 7 GLU H H 1 8.227 0.001 . . . . . . . 7 GLU H . 50542 1 37 . 1 . 1 7 7 GLU HA H 1 4.135 0.001 . . . . . . . 7 GLU HA . 50542 1 38 . 1 . 1 7 7 GLU C C 13 176.144 0.008 . . . . . . . 7 GLU C . 50542 1 39 . 1 . 1 7 7 GLU CA C 13 56.475 0.018 . . . . . . . 7 GLU CA . 50542 1 40 . 1 . 1 7 7 GLU CB C 13 30.411 0.024 . . . . . . . 7 GLU CB . 50542 1 41 . 1 . 1 7 7 GLU N N 15 121.119 0.007 . . . . . . . 7 GLU N . 50542 1 42 . 1 . 1 8 8 GLU H H 1 8.236 0.001 . . . . . . . 8 GLU H . 50542 1 43 . 1 . 1 8 8 GLU HA H 1 4.097 0.000 . . . . . . . 8 GLU HA . 50542 1 44 . 1 . 1 8 8 GLU C C 13 175.786 0.007 . . . . . . . 8 GLU C . 50542 1 45 . 1 . 1 8 8 GLU CA C 13 56.546 0.044 . . . . . . . 8 GLU CA . 50542 1 46 . 1 . 1 8 8 GLU CB C 13 30.466 0.018 . . . . . . . 8 GLU CB . 50542 1 47 . 1 . 1 8 8 GLU N N 15 121.700 0.007 . . . . . . . 8 GLU N . 50542 1 48 . 1 . 1 9 9 ASN H H 1 8.397 0.000 . . . . . . . 9 ASN H . 50542 1 49 . 1 . 1 9 9 ASN HA H 1 4.847 0.000 . . . . . . . 9 ASN HA . 50542 1 50 . 1 . 1 9 9 ASN C C 13 172.889 0.009 . . . . . . . 9 ASN C . 50542 1 51 . 1 . 1 9 9 ASN CA C 13 51.248 0.000 . . . . . . . 9 ASN CA . 50542 1 52 . 1 . 1 9 9 ASN CB C 13 38.908 0.000 . . . . . . . 9 ASN CB . 50542 1 53 . 1 . 1 9 9 ASN N N 15 120.332 0.004 . . . . . . . 9 ASN N . 50542 1 54 . 1 . 1 10 10 PRO HA H 1 4.264 0.000 . . . . . . . 10 PRO HA . 50542 1 55 . 1 . 1 10 10 PRO C C 13 176.533 0.003 . . . . . . . 10 PRO C . 50542 1 56 . 1 . 1 10 10 PRO CA C 13 63.074 0.000 . . . . . . . 10 PRO CA . 50542 1 57 . 1 . 1 10 10 PRO CB C 13 31.986 0.019 . . . . . . . 10 PRO CB . 50542 1 58 . 1 . 1 10 10 PRO N N 15 136.747 0.000 . . . . . . . 10 PRO N . 50542 1 59 . 1 . 1 11 11 ALA H H 1 8.183 0.001 . . . . . . . 11 ALA H . 50542 1 60 . 1 . 1 11 11 ALA HA H 1 4.147 0.001 . . . . . . . 11 ALA HA . 50542 1 61 . 1 . 1 11 11 ALA C C 13 177.637 0.016 . . . . . . . 11 ALA C . 50542 1 62 . 1 . 1 11 11 ALA CA C 13 52.462 0.011 . . . . . . . 11 ALA CA . 50542 1 63 . 1 . 1 11 11 ALA CB C 13 19.147 0.055 . . . . . . . 11 ALA CB . 50542 1 64 . 1 . 1 11 11 ALA N N 15 123.870 0.008 . . . . . . . 11 ALA N . 50542 1 65 . 1 . 1 12 12 GLU H H 1 8.130 0.001 . . . . . . . 12 GLU H . 50542 1 66 . 1 . 1 12 12 GLU HA H 1 4.125 0.001 . . . . . . . 12 GLU HA . 50542 1 67 . 1 . 1 12 12 GLU C C 13 176.347 0.004 . . . . . . . 12 GLU C . 50542 1 68 . 1 . 1 12 12 GLU CA C 13 56.434 0.035 . . . . . . . 12 GLU CA . 50542 1 69 . 1 . 1 12 12 GLU CB C 13 30.489 0.030 . . . . . . . 12 GLU CB . 50542 1 70 . 1 . 1 12 12 GLU N N 15 119.955 0.005 . . . . . . . 12 GLU N . 50542 1 71 . 1 . 1 13 13 GLU H H 1 8.314 0.001 . . . . . . . 13 GLU H . 50542 1 72 . 1 . 1 13 13 GLU HA H 1 4.253 0.000 . . . . . . . 13 GLU HA . 50542 1 73 . 1 . 1 13 13 GLU C C 13 176.630 0.012 . . . . . . . 13 GLU C . 50542 1 74 . 1 . 1 13 13 GLU CA C 13 56.398 0.040 . . . . . . . 13 GLU CA . 50542 1 75 . 1 . 1 13 13 GLU CB C 13 30.278 0.034 . . . . . . . 13 GLU CB . 50542 1 76 . 1 . 1 13 13 GLU N N 15 122.310 0.007 . . . . . . . 13 GLU N . 50542 1 77 . 1 . 1 14 14 THR H H 1 8.215 0.002 . . . . . . . 14 THR H . 50542 1 78 . 1 . 1 14 14 THR HA H 1 4.228 0.000 . . . . . . . 14 THR HA . 50542 1 79 . 1 . 1 14 14 THR C C 13 175.242 0.006 . . . . . . . 14 THR C . 50542 1 80 . 1 . 1 14 14 THR CA C 13 61.929 0.022 . . . . . . . 14 THR CA . 50542 1 81 . 1 . 1 14 14 THR CB C 13 69.790 0.018 . . . . . . . 14 THR CB . 50542 1 82 . 1 . 1 14 14 THR N N 15 114.891 0.012 . . . . . . . 14 THR N . 50542 1 83 . 1 . 1 15 15 GLY H H 1 8.361 0.001 . . . . . . . 15 GLY H . 50542 1 84 . 1 . 1 15 15 GLY HA2 H 1 3.854 0.000 . . . . . . . 15 GLY HA . 50542 1 85 . 1 . 1 15 15 GLY HA3 H 1 3.854 0.000 . . . . . . . 15 GLY HA . 50542 1 86 . 1 . 1 15 15 GLY C C 13 174.060 0.008 . . . . . . . 15 GLY C . 50542 1 87 . 1 . 1 15 15 GLY CA C 13 45.302 0.014 . . . . . . . 15 GLY CA . 50542 1 88 . 1 . 1 15 15 GLY N N 15 111.123 0.008 . . . . . . . 15 GLY N . 50542 1 89 . 1 . 1 16 16 GLU H H 1 8.127 0.001 . . . . . . . 16 GLU H . 50542 1 90 . 1 . 1 16 16 GLU HA H 1 4.136 0.000 . . . . . . . 16 GLU HA . 50542 1 91 . 1 . 1 16 16 GLU C C 13 176.410 0.011 . . . . . . . 16 GLU C . 50542 1 92 . 1 . 1 16 16 GLU CA C 13 56.501 0.046 . . . . . . . 16 GLU CA . 50542 1 93 . 1 . 1 16 16 GLU CB C 13 30.532 0.041 . . . . . . . 16 GLU CB . 50542 1 94 . 1 . 1 16 16 GLU N N 15 120.492 0.005 . . . . . . . 16 GLU N . 50542 1 95 . 1 . 1 17 17 GLU H H 1 8.440 0.001 . . . . . . . 17 GLU H . 50542 1 96 . 1 . 1 17 17 GLU HA H 1 4.111 0.001 . . . . . . . 17 GLU HA . 50542 1 97 . 1 . 1 17 17 GLU C C 13 176.357 0.007 . . . . . . . 17 GLU C . 50542 1 98 . 1 . 1 17 17 GLU CA C 13 56.715 0.017 . . . . . . . 17 GLU CA . 50542 1 99 . 1 . 1 17 17 GLU CB C 13 29.970 0.031 . . . . . . . 17 GLU CB . 50542 1 100 . 1 . 1 17 17 GLU N N 15 122.284 0.004 . . . . . . . 17 GLU N . 50542 1 101 . 1 . 1 18 18 LYS H H 1 8.244 0.001 . . . . . . . 18 LYS H . 50542 1 102 . 1 . 1 18 18 LYS HA H 1 4.181 0.001 . . . . . . . 18 LYS HA . 50542 1 103 . 1 . 1 18 18 LYS C C 13 176.394 0.005 . . . . . . . 18 LYS C . 50542 1 104 . 1 . 1 18 18 LYS CA C 13 56.064 0.033 . . . . . . . 18 LYS CA . 50542 1 105 . 1 . 1 18 18 LYS CB C 13 32.948 0.019 . . . . . . . 18 LYS CB . 50542 1 106 . 1 . 1 18 18 LYS N N 15 122.914 0.011 . . . . . . . 18 LYS N . 50542 1 107 . 1 . 1 19 19 GLN H H 1 8.323 0.001 . . . . . . . 19 GLN H . 50542 1 108 . 1 . 1 19 19 GLN HA H 1 4.210 0.000 . . . . . . . 19 GLN HA . 50542 1 109 . 1 . 1 19 19 GLN C C 13 175.635 0.004 . . . . . . . 19 GLN C . 50542 1 110 . 1 . 1 19 19 GLN CA C 13 55.853 0.066 . . . . . . . 19 GLN CA . 50542 1 111 . 1 . 1 19 19 GLN CB C 13 29.441 0.075 . . . . . . . 19 GLN CB . 50542 1 112 . 1 . 1 19 19 GLN N N 15 121.670 0.006 . . . . . . . 19 GLN N . 50542 1 113 . 1 . 1 20 20 ASP H H 1 8.363 0.001 . . . . . . . 20 ASP H . 50542 1 114 . 1 . 1 20 20 ASP HA H 1 4.524 0.000 . . . . . . . 20 ASP HA . 50542 1 115 . 1 . 1 20 20 ASP C C 13 176.445 0.013 . . . . . . . 20 ASP C . 50542 1 116 . 1 . 1 20 20 ASP CA C 13 54.304 0.021 . . . . . . . 20 ASP CA . 50542 1 117 . 1 . 1 20 20 ASP CB C 13 41.067 0.015 . . . . . . . 20 ASP CB . 50542 1 118 . 1 . 1 20 20 ASP N N 15 121.888 0.015 . . . . . . . 20 ASP N . 50542 1 119 . 1 . 1 21 21 THR H H 1 7.998 0.001 . . . . . . . 21 THR H . 50542 1 120 . 1 . 1 21 21 THR HA H 1 4.161 0.001 . . . . . . . 21 THR HA . 50542 1 121 . 1 . 1 21 21 THR C C 13 174.666 0.007 . . . . . . . 21 THR C . 50542 1 122 . 1 . 1 21 21 THR CA C 13 62.044 0.052 . . . . . . . 21 THR CA . 50542 1 123 . 1 . 1 21 21 THR CB C 13 69.464 0.010 . . . . . . . 21 THR CB . 50542 1 124 . 1 . 1 21 21 THR N N 15 114.218 0.002 . . . . . . . 21 THR N . 50542 1 125 . 1 . 1 22 22 GLN H H 1 8.255 0.001 . . . . . . . 22 GLN H . 50542 1 126 . 1 . 1 22 22 GLN HA H 1 4.161 0.001 . . . . . . . 22 GLN HA . 50542 1 127 . 1 . 1 22 22 GLN C C 13 176.068 0.007 . . . . . . . 22 GLN C . 50542 1 128 . 1 . 1 22 22 GLN CA C 13 56.128 0.080 . . . . . . . 22 GLN CA . 50542 1 129 . 1 . 1 22 22 GLN CB C 13 29.339 0.020 . . . . . . . 22 GLN CB . 50542 1 130 . 1 . 1 22 22 GLN N N 15 122.066 0.012 . . . . . . . 22 GLN N . 50542 1 131 . 1 . 1 23 23 GLU H H 1 8.294 0.003 . . . . . . . 23 GLU H . 50542 1 132 . 1 . 1 23 23 GLU HA H 1 4.090 0.000 . . . . . . . 23 GLU HA . 50542 1 133 . 1 . 1 23 23 GLU C C 13 176.551 0.012 . . . . . . . 23 GLU C . 50542 1 134 . 1 . 1 23 23 GLU CA C 13 56.933 0.000 . . . . . . . 23 GLU CA . 50542 1 135 . 1 . 1 23 23 GLU CB C 13 29.869 0.000 . . . . . . . 23 GLU CB . 50542 1 136 . 1 . 1 23 23 GLU N N 15 121.999 0.016 . . . . . . . 23 GLU N . 50542 1 137 . 1 . 1 24 24 LYS H H 1 8.175 0.001 . . . . . . . 24 LYS H . 50542 1 138 . 1 . 1 24 24 LYS HA H 1 4.161 0.000 . . . . . . . 24 LYS HA . 50542 1 139 . 1 . 1 24 24 LYS C C 13 176.449 0.010 . . . . . . . 24 LYS C . 50542 1 140 . 1 . 1 24 24 LYS CA C 13 56.445 0.000 . . . . . . . 24 LYS CA . 50542 1 141 . 1 . 1 24 24 LYS CB C 13 33.094 0.032 . . . . . . . 24 LYS CB . 50542 1 142 . 1 . 1 24 24 LYS N N 15 121.942 0.008 . . . . . . . 24 LYS N . 50542 1 143 . 1 . 1 25 25 GLU H H 1 8.260 0.001 . . . . . . . 25 GLU H . 50542 1 144 . 1 . 1 25 25 GLU HA H 1 4.114 0.001 . . . . . . . 25 GLU HA . 50542 1 145 . 1 . 1 25 25 GLU C C 13 176.829 0.008 . . . . . . . 25 GLU C . 50542 1 146 . 1 . 1 25 25 GLU CA C 13 56.859 0.023 . . . . . . . 25 GLU CA . 50542 1 147 . 1 . 1 25 25 GLU CB C 13 30.171 0.018 . . . . . . . 25 GLU CB . 50542 1 148 . 1 . 1 25 25 GLU N N 15 121.360 0.006 . . . . . . . 25 GLU N . 50542 1 149 . 1 . 1 26 26 GLY H H 1 8.251 0.000 . . . . . . . 26 GLY H . 50542 1 150 . 1 . 1 26 26 GLY HA2 H 1 3.788 0.000 . . . . . . . 26 GLY HA . 50542 1 151 . 1 . 1 26 26 GLY HA3 H 1 3.788 0.000 . . . . . . . 26 GLY HA . 50542 1 152 . 1 . 1 26 26 GLY C C 13 173.635 0.008 . . . . . . . 26 GLY C . 50542 1 153 . 1 . 1 26 26 GLY CA C 13 45.248 0.020 . . . . . . . 26 GLY CA . 50542 1 154 . 1 . 1 26 26 GLY N N 15 109.657 0.012 . . . . . . . 26 GLY N . 50542 1 155 . 1 . 1 27 27 ILE H H 1 7.749 0.001 . . . . . . . 27 ILE H . 50542 1 156 . 1 . 1 27 27 ILE HA H 1 4.033 0.000 . . . . . . . 27 ILE HA . 50542 1 157 . 1 . 1 27 27 ILE C C 13 175.949 0.004 . . . . . . . 27 ILE C . 50542 1 158 . 1 . 1 27 27 ILE CA C 13 60.825 0.002 . . . . . . . 27 ILE CA . 50542 1 159 . 1 . 1 27 27 ILE CB C 13 38.568 0.035 . . . . . . . 27 ILE CB . 50542 1 160 . 1 . 1 27 27 ILE N N 15 119.716 0.005 . . . . . . . 27 ILE N . 50542 1 161 . 1 . 1 28 28 LEU H H 1 8.222 0.001 . . . . . . . 28 LEU H . 50542 1 162 . 1 . 1 28 28 LEU HA H 1 4.492 0.001 . . . . . . . 28 LEU HA . 50542 1 163 . 1 . 1 28 28 LEU C C 13 175.200 0.004 . . . . . . . 28 LEU C . 50542 1 164 . 1 . 1 28 28 LEU CA C 13 52.893 0.000 . . . . . . . 28 LEU CA . 50542 1 165 . 1 . 1 28 28 LEU CB C 13 41.622 0.000 . . . . . . . 28 LEU CB . 50542 1 166 . 1 . 1 28 28 LEU N N 15 127.802 0.008 . . . . . . . 28 LEU N . 50542 1 167 . 1 . 1 29 29 PRO HA H 1 4.244 0.001 . . . . . . . 29 PRO HA . 50542 1 168 . 1 . 1 29 29 PRO C C 13 177.079 0.003 . . . . . . . 29 PRO C . 50542 1 169 . 1 . 1 29 29 PRO CA C 13 63.398 0.007 . . . . . . . 29 PRO CA . 50542 1 170 . 1 . 1 29 29 PRO CB C 13 31.956 0.008 . . . . . . . 29 PRO CB . 50542 1 171 . 1 . 1 29 29 PRO N N 15 136.009 0.049 . . . . . . . 29 PRO N . 50542 1 172 . 1 . 1 30 30 GLU H H 1 8.473 0.001 . . . . . . . 30 GLU H . 50542 1 173 . 1 . 1 30 30 GLU HA H 1 4.070 0.000 . . . . . . . 30 GLU HA . 50542 1 174 . 1 . 1 30 30 GLU C C 13 176.838 0.006 . . . . . . . 30 GLU C . 50542 1 175 . 1 . 1 30 30 GLU CA C 13 57.071 0.046 . . . . . . . 30 GLU CA . 50542 1 176 . 1 . 1 30 30 GLU CB C 13 29.922 0.031 . . . . . . . 30 GLU CB . 50542 1 177 . 1 . 1 30 30 GLU N N 15 120.297 0.004 . . . . . . . 30 GLU N . 50542 1 178 . 1 . 1 31 31 ARG H H 1 8.160 0.001 . . . . . . . 31 ARG H . 50542 1 179 . 1 . 1 31 31 ARG HA H 1 4.196 0.003 . . . . . . . 31 ARG HA . 50542 1 180 . 1 . 1 31 31 ARG C C 13 176.563 0.014 . . . . . . . 31 ARG C . 50542 1 181 . 1 . 1 31 31 ARG CA C 13 56.023 0.067 . . . . . . . 31 ARG CA . 50542 1 182 . 1 . 1 31 31 ARG CB C 13 30.541 0.081 . . . . . . . 31 ARG CB . 50542 1 183 . 1 . 1 31 31 ARG N N 15 121.426 0.007 . . . . . . . 31 ARG N . 50542 1 184 . 1 . 1 32 32 ALA H H 1 8.186 0.002 . . . . . . . 32 ALA H . 50542 1 185 . 1 . 1 32 32 ALA HA H 1 4.094 0.000 . . . . . . . 32 ALA HA . 50542 1 186 . 1 . 1 32 32 ALA C C 13 178.573 0.005 . . . . . . . 32 ALA C . 50542 1 187 . 1 . 1 32 32 ALA CA C 13 53.436 0.027 . . . . . . . 32 ALA CA . 50542 1 188 . 1 . 1 32 32 ALA CB C 13 18.805 0.006 . . . . . . . 32 ALA CB . 50542 1 189 . 1 . 1 32 32 ALA N N 15 125.074 0.029 . . . . . . . 32 ALA N . 50542 1 190 . 1 . 1 33 33 GLU H H 1 8.390 0.001 . . . . . . . 33 GLU H . 50542 1 191 . 1 . 1 33 33 GLU HA H 1 4.031 0.000 . . . . . . . 33 GLU HA . 50542 1 192 . 1 . 1 33 33 GLU C C 13 177.452 0.003 . . . . . . . 33 GLU C . 50542 1 193 . 1 . 1 33 33 GLU CA C 13 57.588 0.046 . . . . . . . 33 GLU CA . 50542 1 194 . 1 . 1 33 33 GLU CB C 13 29.618 0.004 . . . . . . . 33 GLU CB . 50542 1 195 . 1 . 1 33 33 GLU N N 15 119.158 0.007 . . . . . . . 33 GLU N . 50542 1 196 . 1 . 1 34 34 GLU H H 1 8.074 0.001 . . . . . . . 34 GLU H . 50542 1 197 . 1 . 1 34 34 GLU HA H 1 3.988 0.001 . . . . . . . 34 GLU HA . 50542 1 198 . 1 . 1 34 34 GLU C C 13 177.235 0.003 . . . . . . . 34 GLU C . 50542 1 199 . 1 . 1 34 34 GLU CA C 13 57.950 0.106 . . . . . . . 34 GLU CA . 50542 1 200 . 1 . 1 34 34 GLU CB C 13 29.780 0.038 . . . . . . . 34 GLU CB . 50542 1 201 . 1 . 1 34 34 GLU N N 15 120.840 0.008 . . . . . . . 34 GLU N . 50542 1 202 . 1 . 1 35 35 ALA H H 1 7.980 0.001 . . . . . . . 35 ALA H . 50542 1 203 . 1 . 1 35 35 ALA HA H 1 4.036 0.001 . . . . . . . 35 ALA HA . 50542 1 204 . 1 . 1 35 35 ALA C C 13 178.845 0.003 . . . . . . . 35 ALA C . 50542 1 205 . 1 . 1 35 35 ALA CA C 13 53.757 0.048 . . . . . . . 35 ALA CA . 50542 1 206 . 1 . 1 35 35 ALA CB C 13 18.556 0.055 . . . . . . . 35 ALA CB . 50542 1 207 . 1 . 1 35 35 ALA N N 15 122.917 0.011 . . . . . . . 35 ALA N . 50542 1 208 . 1 . 1 36 36 LYS H H 1 7.822 0.001 . . . . . . . 36 LYS H . 50542 1 209 . 1 . 1 36 36 LYS HA H 1 4.034 0.001 . . . . . . . 36 LYS HA . 50542 1 210 . 1 . 1 36 36 LYS C C 13 177.426 0.006 . . . . . . . 36 LYS C . 50542 1 211 . 1 . 1 36 36 LYS CA C 13 57.320 0.021 . . . . . . . 36 LYS CA . 50542 1 212 . 1 . 1 36 36 LYS CB C 13 32.567 0.026 . . . . . . . 36 LYS CB . 50542 1 213 . 1 . 1 36 36 LYS N N 15 118.604 0.003 . . . . . . . 36 LYS N . 50542 1 214 . 1 . 1 37 37 LEU H H 1 7.758 0.001 . . . . . . . 37 LEU H . 50542 1 215 . 1 . 1 37 37 LEU HA H 1 4.113 0.000 . . . . . . . 37 LEU HA . 50542 1 216 . 1 . 1 37 37 LEU C C 13 177.779 0.005 . . . . . . . 37 LEU C . 50542 1 217 . 1 . 1 37 37 LEU CA C 13 55.931 0.127 . . . . . . . 37 LEU CA . 50542 1 218 . 1 . 1 37 37 LEU CB C 13 41.998 0.004 . . . . . . . 37 LEU CB . 50542 1 219 . 1 . 1 37 37 LEU N N 15 120.864 0.004 . . . . . . . 37 LEU N . 50542 1 220 . 1 . 1 38 38 LYS H H 1 7.866 0.001 . . . . . . . 38 LYS H . 50542 1 221 . 1 . 1 38 38 LYS HA H 1 4.046 0.001 . . . . . . . 38 LYS HA . 50542 1 222 . 1 . 1 38 38 LYS C C 13 176.513 0.007 . . . . . . . 38 LYS C . 50542 1 223 . 1 . 1 38 38 LYS CA C 13 56.852 0.038 . . . . . . . 38 LYS CA . 50542 1 224 . 1 . 1 38 38 LYS CB C 13 32.655 0.040 . . . . . . . 38 LYS CB . 50542 1 225 . 1 . 1 38 38 LYS N N 15 120.234 0.014 . . . . . . . 38 LYS N . 50542 1 226 . 1 . 1 39 39 ALA H H 1 7.752 0.001 . . . . . . . 39 ALA H . 50542 1 227 . 1 . 1 39 39 ALA HA H 1 4.069 0.001 . . . . . . . 39 ALA HA . 50542 1 228 . 1 . 1 39 39 ALA C C 13 177.397 0.007 . . . . . . . 39 ALA C . 50542 1 229 . 1 . 1 39 39 ALA CA C 13 52.688 0.023 . . . . . . . 39 ALA CA . 50542 1 230 . 1 . 1 39 39 ALA CB C 13 19.030 0.021 . . . . . . . 39 ALA CB . 50542 1 231 . 1 . 1 39 39 ALA N N 15 123.001 0.008 . . . . . . . 39 ALA N . 50542 1 232 . 1 . 1 40 40 LYS H H 1 7.814 0.000 . . . . . . . 40 LYS H . 50542 1 233 . 1 . 1 40 40 LYS HA H 1 4.000 0.000 . . . . . . . 40 LYS HA . 50542 1 234 . 1 . 1 40 40 LYS C C 13 175.789 0.005 . . . . . . . 40 LYS C . 50542 1 235 . 1 . 1 40 40 LYS CA C 13 56.595 0.008 . . . . . . . 40 LYS CA . 50542 1 236 . 1 . 1 40 40 LYS CB C 13 33.159 0.004 . . . . . . . 40 LYS CB . 50542 1 237 . 1 . 1 40 40 LYS N N 15 119.345 0.004 . . . . . . . 40 LYS N . 50542 1 238 . 1 . 1 41 41 TYR H H 1 7.860 0.002 . . . . . . . 41 TYR H . 50542 1 239 . 1 . 1 41 41 TYR HA H 1 4.744 0.001 . . . . . . . 41 TYR HA . 50542 1 240 . 1 . 1 41 41 TYR C C 13 173.770 0.005 . . . . . . . 41 TYR C . 50542 1 241 . 1 . 1 41 41 TYR CA C 13 55.491 0.000 . . . . . . . 41 TYR CA . 50542 1 242 . 1 . 1 41 41 TYR CB C 13 38.159 0.000 . . . . . . . 41 TYR CB . 50542 1 243 . 1 . 1 41 41 TYR N N 15 120.196 0.013 . . . . . . . 41 TYR N . 50542 1 244 . 1 . 1 42 42 PRO HA H 1 4.316 0.002 . . . . . . . 42 PRO HA . 50542 1 245 . 1 . 1 42 42 PRO C C 13 176.914 0.010 . . . . . . . 42 PRO C . 50542 1 246 . 1 . 1 42 42 PRO CA C 13 63.509 0.000 . . . . . . . 42 PRO CA . 50542 1 247 . 1 . 1 42 42 PRO CB C 13 32.045 0.000 . . . . . . . 42 PRO CB . 50542 1 248 . 1 . 1 42 42 PRO N N 15 136.635 0.006 . . . . . . . 42 PRO N . 50542 1 249 . 1 . 1 43 43 SER H H 1 8.198 0.003 . . . . . . . 43 SER H . 50542 1 250 . 1 . 1 43 43 SER HA H 1 4.316 0.000 . . . . . . . 43 SER HA . 50542 1 251 . 1 . 1 43 43 SER C C 13 174.700 0.014 . . . . . . . 43 SER C . 50542 1 252 . 1 . 1 43 43 SER CA C 13 58.385 0.030 . . . . . . . 43 SER CA . 50542 1 253 . 1 . 1 43 43 SER CB C 13 63.665 0.046 . . . . . . . 43 SER CB . 50542 1 254 . 1 . 1 43 43 SER N N 15 115.423 0.014 . . . . . . . 43 SER N . 50542 1 255 . 1 . 1 44 44 LEU H H 1 8.139 0.001 . . . . . . . 44 LEU H . 50542 1 256 . 1 . 1 44 44 LEU HA H 1 4.212 0.000 . . . . . . . 44 LEU HA . 50542 1 257 . 1 . 1 44 44 LEU C C 13 177.794 0.004 . . . . . . . 44 LEU C . 50542 1 258 . 1 . 1 44 44 LEU CA C 13 55.543 0.029 . . . . . . . 44 LEU CA . 50542 1 259 . 1 . 1 44 44 LEU CB C 13 42.180 0.016 . . . . . . . 44 LEU CB . 50542 1 260 . 1 . 1 44 44 LEU N N 15 123.886 0.015 . . . . . . . 44 LEU N . 50542 1 261 . 1 . 1 45 45 GLY H H 1 8.273 0.001 . . . . . . . 45 GLY H . 50542 1 262 . 1 . 1 45 45 GLY HA2 H 1 3.786 0.001 . . . . . . . 45 GLY HA . 50542 1 263 . 1 . 1 45 45 GLY HA3 H 1 3.786 0.001 . . . . . . . 45 GLY HA . 50542 1 264 . 1 . 1 45 45 GLY C C 13 173.862 0.009 . . . . . . . 45 GLY C . 50542 1 265 . 1 . 1 45 45 GLY CA C 13 45.268 0.012 . . . . . . . 45 GLY CA . 50542 1 266 . 1 . 1 45 45 GLY N N 15 109.163 0.011 . . . . . . . 45 GLY N . 50542 1 267 . 1 . 1 46 46 GLN H H 1 7.980 0.001 . . . . . . . 46 GLN H . 50542 1 268 . 1 . 1 46 46 GLN HA H 1 4.190 0.001 . . . . . . . 46 GLN HA . 50542 1 269 . 1 . 1 46 46 GLN C C 13 175.641 0.006 . . . . . . . 46 GLN C . 50542 1 270 . 1 . 1 46 46 GLN CA C 13 55.546 0.039 . . . . . . . 46 GLN CA . 50542 1 271 . 1 . 1 46 46 GLN CB C 13 29.593 0.028 . . . . . . . 46 GLN CB . 50542 1 272 . 1 . 1 46 46 GLN N N 15 119.427 0.018 . . . . . . . 46 GLN N . 50542 1 273 . 1 . 1 47 47 LYS H H 1 8.244 0.001 . . . . . . . 47 LYS H . 50542 1 274 . 1 . 1 47 47 LYS HA H 1 4.430 0.001 . . . . . . . 47 LYS HA . 50542 1 275 . 1 . 1 47 47 LYS C C 13 174.409 0.010 . . . . . . . 47 LYS C . 50542 1 276 . 1 . 1 47 47 LYS CA C 13 54.237 0.000 . . . . . . . 47 LYS CA . 50542 1 277 . 1 . 1 47 47 LYS CB C 13 32.407 0.000 . . . . . . . 47 LYS CB . 50542 1 278 . 1 . 1 47 47 LYS N N 15 123.773 0.009 . . . . . . . 47 LYS N . 50542 1 279 . 1 . 1 48 48 PRO HA H 1 4.236 0.001 . . . . . . . 48 PRO HA . 50542 1 280 . 1 . 1 48 48 PRO C C 13 177.358 0.007 . . . . . . . 48 PRO C . 50542 1 281 . 1 . 1 48 48 PRO CA C 13 63.331 0.000 . . . . . . . 48 PRO CA . 50542 1 282 . 1 . 1 48 48 PRO CB C 13 31.960 0.000 . . . . . . . 48 PRO CB . 50542 1 283 . 1 . 1 48 48 PRO N N 15 137.469 0.003 . . . . . . . 48 PRO N . 50542 1 284 . 1 . 1 49 49 GLY H H 1 8.362 0.001 . . . . . . . 49 GLY H . 50542 1 285 . 1 . 1 49 49 GLY HA2 H 1 3.824 0.000 . . . . . . . 49 GLY HA . 50542 1 286 . 1 . 1 49 49 GLY HA3 H 1 3.824 0.000 . . . . . . . 49 GLY HA . 50542 1 287 . 1 . 1 49 49 GLY C C 13 174.670 0.008 . . . . . . . 49 GLY C . 50542 1 288 . 1 . 1 49 49 GLY CA C 13 45.284 0.019 . . . . . . . 49 GLY CA . 50542 1 289 . 1 . 1 49 49 GLY N N 15 109.740 0.012 . . . . . . . 49 GLY N . 50542 1 290 . 1 . 1 50 50 GLY H H 1 8.165 0.002 . . . . . . . 50 GLY H . 50542 1 291 . 1 . 1 50 50 GLY HA2 H 1 3.881 0.000 . . . . . . . 50 GLY HA . 50542 1 292 . 1 . 1 50 50 GLY HA3 H 1 3.881 0.000 . . . . . . . 50 GLY HA . 50542 1 293 . 1 . 1 50 50 GLY C C 13 174.403 0.007 . . . . . . . 50 GLY C . 50542 1 294 . 1 . 1 50 50 GLY CA C 13 45.325 0.029 . . . . . . . 50 GLY CA . 50542 1 295 . 1 . 1 50 50 GLY N N 15 108.540 0.008 . . . . . . . 50 GLY N . 50542 1 296 . 1 . 1 51 51 SER H H 1 8.205 0.001 . . . . . . . 51 SER H . 50542 1 297 . 1 . 1 51 51 SER HA H 1 4.285 0.000 . . . . . . . 51 SER HA . 50542 1 298 . 1 . 1 51 51 SER C C 13 174.549 0.009 . . . . . . . 51 SER C . 50542 1 299 . 1 . 1 51 51 SER CA C 13 58.481 0.012 . . . . . . . 51 SER CA . 50542 1 300 . 1 . 1 51 51 SER CB C 13 63.709 0.016 . . . . . . . 51 SER CB . 50542 1 301 . 1 . 1 51 51 SER N N 15 115.404 0.009 . . . . . . . 51 SER N . 50542 1 302 . 1 . 1 52 52 ASP H H 1 8.270 0.005 . . . . . . . 52 ASP H . 50542 1 303 . 1 . 1 52 52 ASP HA H 1 4.384 0.000 . . . . . . . 52 ASP HA . 50542 1 304 . 1 . 1 52 52 ASP C C 13 176.482 0.003 . . . . . . . 52 ASP C . 50542 1 305 . 1 . 1 52 52 ASP CA C 13 55.171 0.036 . . . . . . . 52 ASP CA . 50542 1 306 . 1 . 1 52 52 ASP CB C 13 40.807 0.023 . . . . . . . 52 ASP CB . 50542 1 307 . 1 . 1 52 52 ASP N N 15 122.141 0.029 . . . . . . . 52 ASP N . 50542 1 308 . 1 . 1 53 53 PHE H H 1 7.903 0.001 . . . . . . . 53 PHE H . 50542 1 309 . 1 . 1 53 53 PHE HA H 1 4.291 0.000 . . . . . . . 53 PHE HA . 50542 1 310 . 1 . 1 53 53 PHE C C 13 176.192 0.009 . . . . . . . 53 PHE C . 50542 1 311 . 1 . 1 53 53 PHE CA C 13 58.826 0.039 . . . . . . . 53 PHE CA . 50542 1 312 . 1 . 1 53 53 PHE CB C 13 39.019 0.030 . . . . . . . 53 PHE CB . 50542 1 313 . 1 . 1 53 53 PHE N N 15 119.677 0.012 . . . . . . . 53 PHE N . 50542 1 314 . 1 . 1 54 54 LEU H H 1 7.809 0.001 . . . . . . . 54 LEU H . 50542 1 315 . 1 . 1 54 54 LEU HA H 1 4.001 0.000 . . . . . . . 54 LEU HA . 50542 1 316 . 1 . 1 54 54 LEU C C 13 177.659 0.004 . . . . . . . 54 LEU C . 50542 1 317 . 1 . 1 54 54 LEU CA C 13 55.957 0.057 . . . . . . . 54 LEU CA . 50542 1 318 . 1 . 1 54 54 LEU CB C 13 41.903 0.037 . . . . . . . 54 LEU CB . 50542 1 319 . 1 . 1 54 54 LEU N N 15 121.475 0.006 . . . . . . . 54 LEU N . 50542 1 320 . 1 . 1 55 55 MET H H 1 7.912 0.001 . . . . . . . 55 MET H . 50542 1 321 . 1 . 1 55 55 MET HA H 1 4.186 0.001 . . . . . . . 55 MET HA . 50542 1 322 . 1 . 1 55 55 MET C C 13 176.632 0.046 . . . . . . . 55 MET C . 50542 1 323 . 1 . 1 55 55 MET CA C 13 56.131 0.000 . . . . . . . 55 MET CA . 50542 1 324 . 1 . 1 55 55 MET CB C 13 32.906 0.000 . . . . . . . 55 MET CB . 50542 1 325 . 1 . 1 55 55 MET N N 15 119.089 0.048 . . . . . . . 55 MET N . 50542 1 326 . 1 . 1 57 57 ARG C C 13 176.476 0.006 . . . . . . . 57 ARG C . 50542 1 327 . 1 . 1 57 57 ARG CA C 13 56.635 0.012 . . . . . . . 57 ARG CA . 50542 1 328 . 1 . 1 57 57 ARG CB C 13 30.529 0.014 . . . . . . . 57 ARG CB . 50542 1 329 . 1 . 1 58 58 LEU H H 1 7.959 0.001 . . . . . . . 58 LEU H . 50542 1 330 . 1 . 1 58 58 LEU HA H 1 4.160 0.000 . . . . . . . 58 LEU HA . 50542 1 331 . 1 . 1 58 58 LEU C C 13 177.414 0.008 . . . . . . . 58 LEU C . 50542 1 332 . 1 . 1 58 58 LEU CA C 13 55.432 0.019 . . . . . . . 58 LEU CA . 50542 1 333 . 1 . 1 58 58 LEU CB C 13 42.154 0.009 . . . . . . . 58 LEU CB . 50542 1 334 . 1 . 1 58 58 LEU N N 15 122.023 0.011 . . . . . . . 58 LEU N . 50542 1 335 . 1 . 1 59 59 GLN H H 1 8.069 0.001 . . . . . . . 59 GLN H . 50542 1 336 . 1 . 1 59 59 GLN HA H 1 4.145 0.002 . . . . . . . 59 GLN HA . 50542 1 337 . 1 . 1 59 59 GLN C C 13 175.948 0.008 . . . . . . . 59 GLN C . 50542 1 338 . 1 . 1 59 59 GLN CA C 13 55.709 0.043 . . . . . . . 59 GLN CA . 50542 1 339 . 1 . 1 59 59 GLN CB C 13 29.391 0.007 . . . . . . . 59 GLN CB . 50542 1 340 . 1 . 1 59 59 GLN N N 15 120.531 0.014 . . . . . . . 59 GLN N . 50542 1 341 . 1 . 1 60 60 LYS H H 1 8.158 0.005 . . . . . . . 60 LYS H . 50542 1 342 . 1 . 1 60 60 LYS HA H 1 4.088 0.001 . . . . . . . 60 LYS HA . 50542 1 343 . 1 . 1 60 60 LYS C C 13 177.065 0.008 . . . . . . . 60 LYS C . 50542 1 344 . 1 . 1 60 60 LYS CA C 13 56.846 0.017 . . . . . . . 60 LYS CA . 50542 1 345 . 1 . 1 60 60 LYS CB C 13 32.670 0.008 . . . . . . . 60 LYS CB . 50542 1 346 . 1 . 1 60 60 LYS N N 15 121.950 0.046 . . . . . . . 60 LYS N . 50542 1 347 . 1 . 1 61 61 GLY H H 1 8.310 0.002 . . . . . . . 61 GLY H . 50542 1 348 . 1 . 1 61 61 GLY HA2 H 1 3.782 0.000 . . . . . . . 61 GLY HA . 50542 1 349 . 1 . 1 61 61 GLY HA3 H 1 3.782 0.000 . . . . . . . 61 GLY HA . 50542 1 350 . 1 . 1 61 61 GLY C C 13 173.979 0.006 . . . . . . . 61 GLY C . 50542 1 351 . 1 . 1 61 61 GLY CA C 13 45.259 0.018 . . . . . . . 61 GLY CA . 50542 1 352 . 1 . 1 61 61 GLY N N 15 110.000 0.008 . . . . . . . 61 GLY N . 50542 1 353 . 1 . 1 62 62 GLN H H 1 7.981 0.001 . . . . . . . 62 GLN H . 50542 1 354 . 1 . 1 62 62 GLN HA H 1 4.120 0.001 . . . . . . . 62 GLN HA . 50542 1 355 . 1 . 1 62 62 GLN C C 13 175.668 0.009 . . . . . . . 62 GLN C . 50542 1 356 . 1 . 1 62 62 GLN CA C 13 56.323 0.585 . . . . . . . 62 GLN CA . 50542 1 357 . 1 . 1 62 62 GLN CB C 13 29.708 0.152 . . . . . . . 62 GLN CB . 50542 1 358 . 1 . 1 62 62 GLN N N 15 119.729 0.011 . . . . . . . 62 GLN N . 50542 1 359 . 1 . 1 63 63 LYS H H 1 8.171 0.005 . . . . . . . 63 LYS H . 50542 1 360 . 1 . 1 63 63 LYS HA H 1 4.074 0.001 . . . . . . . 63 LYS HA . 50542 1 361 . 1 . 1 63 63 LYS C C 13 175.871 0.003 . . . . . . . 63 LYS C . 50542 1 362 . 1 . 1 63 63 LYS CA C 13 56.569 0.063 . . . . . . . 63 LYS CA . 50542 1 363 . 1 . 1 63 63 LYS CB C 13 32.962 0.107 . . . . . . . 63 LYS CB . 50542 1 364 . 1 . 1 63 63 LYS N N 15 121.908 0.032 . . . . . . . 63 LYS N . 50542 1 365 . 1 . 1 64 64 TYR H H 1 7.930 0.003 . . . . . . . 64 TYR H . 50542 1 366 . 1 . 1 64 64 TYR HA H 1 4.360 0.000 . . . . . . . 64 TYR HA . 50542 1 367 . 1 . 1 64 64 TYR C C 13 175.160 0.009 . . . . . . . 64 TYR C . 50542 1 368 . 1 . 1 64 64 TYR CA C 13 57.846 0.021 . . . . . . . 64 TYR CA . 50542 1 369 . 1 . 1 64 64 TYR CB C 13 38.982 0.035 . . . . . . . 64 TYR CB . 50542 1 370 . 1 . 1 64 64 TYR N N 15 120.392 0.049 . . . . . . . 64 TYR N . 50542 1 371 . 1 . 1 65 65 PHE H H 1 7.917 0.000 . . . . . . . 65 PHE H . 50542 1 372 . 1 . 1 65 65 PHE HA H 1 4.374 0.001 . . . . . . . 65 PHE HA . 50542 1 373 . 1 . 1 65 65 PHE C C 13 174.752 0.006 . . . . . . . 65 PHE C . 50542 1 374 . 1 . 1 65 65 PHE CA C 13 57.651 0.067 . . . . . . . 65 PHE CA . 50542 1 375 . 1 . 1 65 65 PHE CB C 13 39.887 0.154 . . . . . . . 65 PHE CB . 50542 1 376 . 1 . 1 65 65 PHE N N 15 121.449 0.006 . . . . . . . 65 PHE N . 50542 1 377 . 1 . 1 66 66 ASP H H 1 8.114 0.001 . . . . . . . 66 ASP H . 50542 1 378 . 1 . 1 66 66 ASP HA H 1 4.463 0.000 . . . . . . . 66 ASP HA . 50542 1 379 . 1 . 1 66 66 ASP C C 13 175.983 0.006 . . . . . . . 66 ASP C . 50542 1 380 . 1 . 1 66 66 ASP CA C 13 54.023 0.052 . . . . . . . 66 ASP CA . 50542 1 381 . 1 . 1 66 66 ASP CB C 13 41.552 0.012 . . . . . . . 66 ASP CB . 50542 1 382 . 1 . 1 66 66 ASP N N 15 122.313 0.010 . . . . . . . 66 ASP N . 50542 1 383 . 1 . 1 67 67 SER H H 1 8.123 0.001 . . . . . . . 67 SER H . 50542 1 384 . 1 . 1 67 67 SER HA H 1 4.208 0.001 . . . . . . . 67 SER HA . 50542 1 385 . 1 . 1 67 67 SER C C 13 175.193 0.006 . . . . . . . 67 SER C . 50542 1 386 . 1 . 1 67 67 SER CA C 13 58.849 0.050 . . . . . . . 67 SER CA . 50542 1 387 . 1 . 1 67 67 SER CB C 13 63.704 0.030 . . . . . . . 67 SER CB . 50542 1 388 . 1 . 1 67 67 SER N N 15 116.871 0.011 . . . . . . . 67 SER N . 50542 1 389 . 1 . 1 68 68 GLY H H 1 8.339 0.001 . . . . . . . 68 GLY H . 50542 1 390 . 1 . 1 68 68 GLY HA2 H 1 3.776 0.002 . . . . . . . 68 GLY HA . 50542 1 391 . 1 . 1 68 68 GLY HA3 H 1 3.776 0.002 . . . . . . . 68 GLY HA . 50542 1 392 . 1 . 1 68 68 GLY C C 13 173.996 0.007 . . . . . . . 68 GLY C . 50542 1 393 . 1 . 1 68 68 GLY CA C 13 45.675 0.025 . . . . . . . 68 GLY CA . 50542 1 394 . 1 . 1 68 68 GLY N N 15 110.526 0.008 . . . . . . . 68 GLY N . 50542 1 395 . 1 . 1 69 69 ASP H H 1 7.948 0.001 . . . . . . . 69 ASP H . 50542 1 396 . 1 . 1 69 69 ASP HA H 1 4.406 0.001 . . . . . . . 69 ASP HA . 50542 1 397 . 1 . 1 69 69 ASP C C 13 176.463 0.004 . . . . . . . 69 ASP C . 50542 1 398 . 1 . 1 69 69 ASP CA C 13 54.361 0.064 . . . . . . . 69 ASP CA . 50542 1 399 . 1 . 1 69 69 ASP CB C 13 40.969 0.031 . . . . . . . 69 ASP CB . 50542 1 400 . 1 . 1 69 69 ASP N N 15 120.285 0.010 . . . . . . . 69 ASP N . 50542 1 401 . 1 . 1 70 70 TYR H H 1 7.964 0.001 . . . . . . . 70 TYR H . 50542 1 402 . 1 . 1 70 70 TYR HA H 1 4.252 0.003 . . . . . . . 70 TYR HA . 50542 1 403 . 1 . 1 70 70 TYR C C 13 175.959 0.011 . . . . . . . 70 TYR C . 50542 1 404 . 1 . 1 70 70 TYR CA C 13 58.764 0.080 . . . . . . . 70 TYR CA . 50542 1 405 . 1 . 1 70 70 TYR CB C 13 38.297 0.024 . . . . . . . 70 TYR CB . 50542 1 406 . 1 . 1 70 70 TYR N N 15 120.992 0.020 . . . . . . . 70 TYR N . 50542 1 407 . 1 . 1 71 71 ASN H H 1 8.092 0.001 . . . . . . . 71 ASN H . 50542 1 408 . 1 . 1 71 71 ASN HA H 1 4.401 0.000 . . . . . . . 71 ASN HA . 50542 1 409 . 1 . 1 71 71 ASN C C 13 175.866 0.007 . . . . . . . 71 ASN C . 50542 1 410 . 1 . 1 71 71 ASN CA C 13 54.030 0.014 . . . . . . . 71 ASN CA . 50542 1 411 . 1 . 1 71 71 ASN CB C 13 38.540 0.041 . . . . . . . 71 ASN CB . 50542 1 412 . 1 . 1 71 71 ASN N N 15 119.297 0.015 . . . . . . . 71 ASN N . 50542 1 413 . 1 . 1 72 72 MET H H 1 8.034 0.001 . . . . . . . 72 MET H . 50542 1 414 . 1 . 1 72 72 MET HA H 1 4.181 0.000 . . . . . . . 72 MET HA . 50542 1 415 . 1 . 1 72 72 MET C C 13 176.559 0.022 . . . . . . . 72 MET C . 50542 1 416 . 1 . 1 72 72 MET CA C 13 56.498 0.037 . . . . . . . 72 MET CA . 50542 1 417 . 1 . 1 72 72 MET CB C 13 32.406 0.085 . . . . . . . 72 MET CB . 50542 1 418 . 1 . 1 72 72 MET N N 15 120.520 0.009 . . . . . . . 72 MET N . 50542 1 419 . 1 . 1 73 73 ALA H H 1 7.965 0.001 . . . . . . . 73 ALA H . 50542 1 420 . 1 . 1 73 73 ALA HA H 1 4.059 0.000 . . . . . . . 73 ALA HA . 50542 1 421 . 1 . 1 73 73 ALA C C 13 178.603 0.006 . . . . . . . 73 ALA C . 50542 1 422 . 1 . 1 73 73 ALA CA C 13 53.406 0.037 . . . . . . . 73 ALA CA . 50542 1 423 . 1 . 1 73 73 ALA CB C 13 18.611 0.038 . . . . . . . 73 ALA CB . 50542 1 424 . 1 . 1 73 73 ALA N N 15 123.391 0.011 . . . . . . . 73 ALA N . 50542 1 425 . 1 . 1 74 74 LYS H H 1 7.896 0.003 . . . . . . . 74 LYS H . 50542 1 426 . 1 . 1 74 74 LYS HA H 1 4.014 0.001 . . . . . . . 74 LYS HA . 50542 1 427 . 1 . 1 74 74 LYS C C 13 177.107 0.006 . . . . . . . 74 LYS C . 50542 1 428 . 1 . 1 74 74 LYS CA C 13 57.006 0.018 . . . . . . . 74 LYS CA . 50542 1 429 . 1 . 1 74 74 LYS CB C 13 32.545 0.007 . . . . . . . 74 LYS CB . 50542 1 430 . 1 . 1 74 74 LYS N N 15 118.961 0.006 . . . . . . . 74 LYS N . 50542 1 431 . 1 . 1 75 75 ALA H H 1 7.858 0.002 . . . . . . . 75 ALA H . 50542 1 432 . 1 . 1 75 75 ALA HA H 1 4.074 0.001 . . . . . . . 75 ALA HA . 50542 1 433 . 1 . 1 75 75 ALA C C 13 178.144 0.003 . . . . . . . 75 ALA C . 50542 1 434 . 1 . 1 75 75 ALA CA C 13 53.078 0.052 . . . . . . . 75 ALA CA . 50542 1 435 . 1 . 1 75 75 ALA CB C 13 18.832 0.013 . . . . . . . 75 ALA CB . 50542 1 436 . 1 . 1 75 75 ALA N N 15 123.220 0.006 . . . . . . . 75 ALA N . 50542 1 437 . 1 . 1 76 76 LYS H H 1 7.914 0.002 . . . . . . . 76 LYS H . 50542 1 438 . 1 . 1 76 76 LYS HA H 1 4.094 0.003 . . . . . . . 76 LYS HA . 50542 1 439 . 1 . 1 76 76 LYS C C 13 176.831 0.037 . . . . . . . 76 LYS C . 50542 1 440 . 1 . 1 76 76 LYS CA C 13 56.362 0.243 . . . . . . . 76 LYS CA . 50542 1 441 . 1 . 1 76 76 LYS CB C 13 32.513 0.120 . . . . . . . 76 LYS CB . 50542 1 442 . 1 . 1 76 76 LYS N N 15 118.969 0.052 . . . . . . . 76 LYS N . 50542 1 443 . 1 . 1 77 77 MET H H 1 7.916 0.001 . . . . . . . 77 MET H . 50542 1 444 . 1 . 1 77 77 MET HA H 1 4.054 0.000 . . . . . . . 77 MET HA . 50542 1 445 . 1 . 1 77 77 MET C C 13 176.883 0.012 . . . . . . . 77 MET C . 50542 1 446 . 1 . 1 77 77 MET CA C 13 56.993 0.033 . . . . . . . 77 MET CA . 50542 1 447 . 1 . 1 77 77 MET CB C 13 32.665 0.098 . . . . . . . 77 MET CB . 50542 1 448 . 1 . 1 77 77 MET N N 15 120.833 0.032 . . . . . . . 77 MET N . 50542 1 449 . 1 . 1 78 78 LYS H H 1 7.927 0.001 . . . . . . . 78 LYS H . 50542 1 450 . 1 . 1 78 78 LYS HA H 1 4.273 0.000 . . . . . . . 78 LYS HA . 50542 1 451 . 1 . 1 78 78 LYS C C 13 176.263 0.009 . . . . . . . 78 LYS C . 50542 1 452 . 1 . 1 78 78 LYS CA C 13 55.811 0.119 . . . . . . . 78 LYS CA . 50542 1 453 . 1 . 1 78 78 LYS CB C 13 32.529 0.317 . . . . . . . 78 LYS CB . 50542 1 454 . 1 . 1 78 78 LYS N N 15 120.118 0.050 . . . . . . . 78 LYS N . 50542 1 455 . 1 . 1 79 79 ASN H H 1 8.205 0.007 . . . . . . . 79 ASN H . 50542 1 456 . 1 . 1 79 79 ASN HA H 1 4.517 0.000 . . . . . . . 79 ASN HA . 50542 1 457 . 1 . 1 79 79 ASN C C 13 175.009 0.007 . . . . . . . 79 ASN C . 50542 1 458 . 1 . 1 79 79 ASN CA C 13 53.152 0.050 . . . . . . . 79 ASN CA . 50542 1 459 . 1 . 1 79 79 ASN CB C 13 38.774 0.148 . . . . . . . 79 ASN CB . 50542 1 460 . 1 . 1 79 79 ASN N N 15 119.211 0.032 . . . . . . . 79 ASN N . 50542 1 461 . 1 . 1 80 80 LYS H H 1 8.094 0.001 . . . . . . . 80 LYS H . 50542 1 462 . 1 . 1 80 80 LYS HA H 1 4.136 0.000 . . . . . . . 80 LYS HA . 50542 1 463 . 1 . 1 80 80 LYS C C 13 176.077 0.005 . . . . . . . 80 LYS C . 50542 1 464 . 1 . 1 80 80 LYS CA C 13 56.422 0.033 . . . . . . . 80 LYS CA . 50542 1 465 . 1 . 1 80 80 LYS CB C 13 32.918 0.086 . . . . . . . 80 LYS CB . 50542 1 466 . 1 . 1 80 80 LYS N N 15 121.415 0.026 . . . . . . . 80 LYS N . 50542 1 467 . 1 . 1 81 81 GLN H H 1 8.183 0.002 . . . . . . . 81 GLN H . 50542 1 468 . 1 . 1 81 81 GLN HA H 1 4.181 0.000 . . . . . . . 81 GLN HA . 50542 1 469 . 1 . 1 81 81 GLN C C 13 175.489 0.007 . . . . . . . 81 GLN C . 50542 1 470 . 1 . 1 81 81 GLN CA C 13 55.538 0.010 . . . . . . . 81 GLN CA . 50542 1 471 . 1 . 1 81 81 GLN CB C 13 29.456 0.022 . . . . . . . 81 GLN CB . 50542 1 472 . 1 . 1 81 81 GLN N N 15 121.150 0.015 . . . . . . . 81 GLN N . 50542 1 473 . 1 . 1 82 82 LEU H H 1 8.162 0.001 . . . . . . . 82 LEU H . 50542 1 474 . 1 . 1 82 82 LEU HA H 1 4.463 0.000 . . . . . . . 82 LEU HA . 50542 1 475 . 1 . 1 82 82 LEU C C 13 175.195 0.009 . . . . . . . 82 LEU C . 50542 1 476 . 1 . 1 82 82 LEU CA C 13 52.974 0.000 . . . . . . . 82 LEU CA . 50542 1 477 . 1 . 1 82 82 LEU CB C 13 41.617 0.000 . . . . . . . 82 LEU CB . 50542 1 478 . 1 . 1 82 82 LEU N N 15 125.031 0.012 . . . . . . . 82 LEU N . 50542 1 479 . 1 . 1 83 83 PRO HA H 1 4.308 0.001 . . . . . . . 83 PRO HA . 50542 1 480 . 1 . 1 83 83 PRO C C 13 176.807 0.005 . . . . . . . 83 PRO C . 50542 1 481 . 1 . 1 83 83 PRO CA C 13 63.022 0.002 . . . . . . . 83 PRO CA . 50542 1 482 . 1 . 1 83 83 PRO CB C 13 31.968 0.010 . . . . . . . 83 PRO CB . 50542 1 483 . 1 . 1 83 83 PRO N N 15 136.008 0.000 . . . . . . . 83 PRO N . 50542 1 484 . 1 . 1 84 84 SER H H 1 8.180 0.001 . . . . . . . 84 SER H . 50542 1 485 . 1 . 1 84 84 SER HA H 1 4.262 0.000 . . . . . . . 84 SER HA . 50542 1 486 . 1 . 1 84 84 SER C C 13 174.133 0.004 . . . . . . . 84 SER C . 50542 1 487 . 1 . 1 84 84 SER CA C 13 58.213 0.013 . . . . . . . 84 SER CA . 50542 1 488 . 1 . 1 84 84 SER CB C 13 63.770 0.097 . . . . . . . 84 SER CB . 50542 1 489 . 1 . 1 84 84 SER N N 15 115.660 0.017 . . . . . . . 84 SER N . 50542 1 490 . 1 . 1 85 85 ALA H H 1 8.203 0.002 . . . . . . . 85 ALA H . 50542 1 491 . 1 . 1 85 85 ALA HA H 1 4.268 0.000 . . . . . . . 85 ALA HA . 50542 1 492 . 1 . 1 85 85 ALA C C 13 177.522 0.023 . . . . . . . 85 ALA C . 50542 1 493 . 1 . 1 85 85 ALA CA C 13 52.341 0.003 . . . . . . . 85 ALA CA . 50542 1 494 . 1 . 1 85 85 ALA CB C 13 19.670 0.005 . . . . . . . 85 ALA CB . 50542 1 495 . 1 . 1 85 85 ALA N N 15 125.933 0.016 . . . . . . . 85 ALA N . 50542 1 496 . 1 . 1 86 86 GLY H H 1 8.050 0.001 . . . . . . . 86 GLY H . 50542 1 497 . 1 . 1 86 86 GLY HA2 H 1 3.982 0.001 . . . . . . . 86 GLY HA . 50542 1 498 . 1 . 1 86 86 GLY HA3 H 1 3.982 0.001 . . . . . . . 86 GLY HA . 50542 1 499 . 1 . 1 86 86 GLY C C 13 171.769 0.009 . . . . . . . 86 GLY C . 50542 1 500 . 1 . 1 86 86 GLY CA C 13 44.479 0.000 . . . . . . . 86 GLY CA . 50542 1 501 . 1 . 1 86 86 GLY N N 15 108.132 0.012 . . . . . . . 86 GLY N . 50542 1 502 . 1 . 1 87 87 PRO HA H 1 4.274 0.001 . . . . . . . 87 PRO HA . 50542 1 503 . 1 . 1 87 87 PRO C C 13 176.705 0.002 . . . . . . . 87 PRO C . 50542 1 504 . 1 . 1 87 87 PRO CA C 13 63.160 0.001 . . . . . . . 87 PRO CA . 50542 1 505 . 1 . 1 87 87 PRO CB C 13 31.998 0.008 . . . . . . . 87 PRO CB . 50542 1 506 . 1 . 1 87 87 PRO N N 15 133.864 0.001 . . . . . . . 87 PRO N . 50542 1 507 . 1 . 1 88 88 ASP H H 1 8.273 0.001 . . . . . . . 88 ASP H . 50542 1 508 . 1 . 1 88 88 ASP HA H 1 4.400 0.000 . . . . . . . 88 ASP HA . 50542 1 509 . 1 . 1 88 88 ASP C C 13 176.504 0.008 . . . . . . . 88 ASP C . 50542 1 510 . 1 . 1 88 88 ASP CA C 13 54.292 0.050 . . . . . . . 88 ASP CA . 50542 1 511 . 1 . 1 88 88 ASP CB C 13 40.937 0.026 . . . . . . . 88 ASP CB . 50542 1 512 . 1 . 1 88 88 ASP N N 15 120.102 0.015 . . . . . . . 88 ASP N . 50542 1 513 . 1 . 1 89 89 LYS H H 1 8.111 0.001 . . . . . . . 89 LYS H . 50542 1 514 . 1 . 1 89 89 LYS HA H 1 4.117 0.001 . . . . . . . 89 LYS HA . 50542 1 515 . 1 . 1 89 89 LYS C C 13 176.277 0.008 . . . . . . . 89 LYS C . 50542 1 516 . 1 . 1 89 89 LYS CA C 13 56.637 0.007 . . . . . . . 89 LYS CA . 50542 1 517 . 1 . 1 89 89 LYS CB C 13 32.577 0.029 . . . . . . . 89 LYS CB . 50542 1 518 . 1 . 1 89 89 LYS N N 15 121.889 0.020 . . . . . . . 89 LYS N . 50542 1 519 . 1 . 1 90 90 ASN H H 1 8.326 0.001 . . . . . . . 90 ASN H . 50542 1 520 . 1 . 1 90 90 ASN HA H 1 4.512 0.001 . . . . . . . 90 ASN HA . 50542 1 521 . 1 . 1 90 90 ASN C C 13 174.936 0.005 . . . . . . . 90 ASN C . 50542 1 522 . 1 . 1 90 90 ASN CA C 13 53.377 0.030 . . . . . . . 90 ASN CA . 50542 1 523 . 1 . 1 90 90 ASN CB C 13 38.678 0.019 . . . . . . . 90 ASN CB . 50542 1 524 . 1 . 1 90 90 ASN N N 15 118.694 0.002 . . . . . . . 90 ASN N . 50542 1 525 . 1 . 1 91 91 LEU H H 1 7.907 0.001 . . . . . . . 91 LEU H . 50542 1 526 . 1 . 1 91 91 LEU HA H 1 4.203 0.001 . . . . . . . 91 LEU HA . 50542 1 527 . 1 . 1 91 91 LEU C C 13 177.095 0.004 . . . . . . . 91 LEU C . 50542 1 528 . 1 . 1 91 91 LEU CA C 13 55.361 0.025 . . . . . . . 91 LEU CA . 50542 1 529 . 1 . 1 91 91 LEU CB C 13 42.204 0.033 . . . . . . . 91 LEU CB . 50542 1 530 . 1 . 1 91 91 LEU N N 15 122.003 0.011 . . . . . . . 91 LEU N . 50542 1 531 . 1 . 1 92 92 VAL H H 1 8.003 0.001 . . . . . . . 92 VAL H . 50542 1 532 . 1 . 1 92 92 VAL HA H 1 4.043 0.000 . . . . . . . 92 VAL HA . 50542 1 533 . 1 . 1 92 92 VAL C C 13 176.252 0.007 . . . . . . . 92 VAL C . 50542 1 534 . 1 . 1 92 92 VAL CA C 13 62.433 0.010 . . . . . . . 92 VAL CA . 50542 1 535 . 1 . 1 92 92 VAL CB C 13 32.472 0.003 . . . . . . . 92 VAL CB . 50542 1 536 . 1 . 1 92 92 VAL N N 15 121.131 0.007 . . . . . . . 92 VAL N . 50542 1 537 . 1 . 1 93 93 THR H H 1 8.035 0.001 . . . . . . . 93 THR H . 50542 1 538 . 1 . 1 93 93 THR HA H 1 4.240 0.000 . . . . . . . 93 THR HA . 50542 1 539 . 1 . 1 93 93 THR C C 13 174.888 0.007 . . . . . . . 93 THR C . 50542 1 540 . 1 . 1 93 93 THR CA C 13 61.625 0.018 . . . . . . . 93 THR CA . 50542 1 541 . 1 . 1 93 93 THR CB C 13 69.735 0.012 . . . . . . . 93 THR CB . 50542 1 542 . 1 . 1 93 93 THR N N 15 116.984 0.006 . . . . . . . 93 THR N . 50542 1 543 . 1 . 1 94 94 GLY H H 1 8.181 0.001 . . . . . . . 94 GLY H . 50542 1 544 . 1 . 1 94 94 GLY HA2 H 1 3.838 0.001 . . . . . . . 94 GLY HA . 50542 1 545 . 1 . 1 94 94 GLY HA3 H 1 3.838 0.001 . . . . . . . 94 GLY HA . 50542 1 546 . 1 . 1 94 94 GLY C C 13 173.621 0.008 . . . . . . . 94 GLY C . 50542 1 547 . 1 . 1 94 94 GLY CA C 13 45.234 0.017 . . . . . . . 94 GLY CA . 50542 1 548 . 1 . 1 94 94 GLY N N 15 110.595 0.009 . . . . . . . 94 GLY N . 50542 1 549 . 1 . 1 95 95 ASP H H 1 8.091 0.001 . . . . . . . 95 ASP H . 50542 1 550 . 1 . 1 95 95 ASP HA H 1 4.424 0.000 . . . . . . . 95 ASP HA . 50542 1 551 . 1 . 1 95 95 ASP C C 13 175.769 0.005 . . . . . . . 95 ASP C . 50542 1 552 . 1 . 1 95 95 ASP CA C 13 54.270 0.058 . . . . . . . 95 ASP CA . 50542 1 553 . 1 . 1 95 95 ASP CB C 13 41.045 0.043 . . . . . . . 95 ASP CB . 50542 1 554 . 1 . 1 95 95 ASP N N 15 119.923 0.032 . . . . . . . 95 ASP N . 50542 1 555 . 1 . 1 96 96 HIS H H 1 8.184 0.002 . . . . . . . 96 HIS H . 50542 1 556 . 1 . 1 96 96 HIS HA H 1 4.474 0.000 . . . . . . . 96 HIS HA . 50542 1 557 . 1 . 1 96 96 HIS C C 13 174.326 0.010 . . . . . . . 96 HIS C . 50542 1 558 . 1 . 1 96 96 HIS CA C 13 55.656 0.009 . . . . . . . 96 HIS CA . 50542 1 559 . 1 . 1 96 96 HIS CB C 13 29.827 0.000 . . . . . . . 96 HIS CB . 50542 1 560 . 1 . 1 96 96 HIS N N 15 118.807 0.013 . . . . . . . 96 HIS N . 50542 1 561 . 1 . 1 97 97 ILE H H 1 7.976 0.001 . . . . . . . 97 ILE H . 50542 1 562 . 1 . 1 97 97 ILE HA H 1 4.264 0.000 . . . . . . . 97 ILE HA . 50542 1 563 . 1 . 1 97 97 ILE C C 13 174.227 0.004 . . . . . . . 97 ILE C . 50542 1 564 . 1 . 1 97 97 ILE CA C 13 58.437 0.000 . . . . . . . 97 ILE CA . 50542 1 565 . 1 . 1 97 97 ILE CB C 13 38.340 0.000 . . . . . . . 97 ILE CB . 50542 1 566 . 1 . 1 97 97 ILE N N 15 124.714 0.005 . . . . . . . 97 ILE N . 50542 1 567 . 1 . 1 98 98 PRO HA H 1 4.331 0.000 . . . . . . . 98 PRO HA . 50542 1 568 . 1 . 1 98 98 PRO C C 13 176.561 0.005 . . . . . . . 98 PRO C . 50542 1 569 . 1 . 1 98 98 PRO CA C 13 62.916 0.037 . . . . . . . 98 PRO CA . 50542 1 570 . 1 . 1 98 98 PRO CB C 13 32.081 0.047 . . . . . . . 98 PRO CB . 50542 1 571 . 1 . 1 98 98 PRO N N 15 139.518 0.005 . . . . . . . 98 PRO N . 50542 1 572 . 1 . 1 99 99 THR H H 1 8.224 0.002 . . . . . . . 99 THR H . 50542 1 573 . 1 . 1 99 99 THR HA H 1 4.468 0.001 . . . . . . . 99 THR HA . 50542 1 574 . 1 . 1 99 99 THR C C 13 173.242 0.005 . . . . . . . 99 THR C . 50542 1 575 . 1 . 1 99 99 THR CA C 13 61.934 0.000 . . . . . . . 99 THR CA . 50542 1 576 . 1 . 1 99 99 THR CB C 13 69.651 0.000 . . . . . . . 99 THR CB . 50542 1 577 . 1 . 1 99 99 THR N N 15 116.828 0.017 . . . . . . . 99 THR N . 50542 1 578 . 1 . 1 100 100 PRO HA H 1 4.248 0.004 . . . . . . . 100 PRO HA . 50542 1 579 . 1 . 1 100 100 PRO C C 13 176.954 0.008 . . . . . . . 100 PRO C . 50542 1 580 . 1 . 1 100 100 PRO CA C 13 63.652 0.028 . . . . . . . 100 PRO CA . 50542 1 581 . 1 . 1 100 100 PRO CB C 13 31.980 0.041 . . . . . . . 100 PRO CB . 50542 1 582 . 1 . 1 100 100 PRO N N 15 138.411 0.003 . . . . . . . 100 PRO N . 50542 1 583 . 1 . 1 101 101 GLN H H 1 8.231 0.001 . . . . . . . 101 GLN H . 50542 1 584 . 1 . 1 101 101 GLN HA H 1 4.141 0.001 . . . . . . . 101 GLN HA . 50542 1 585 . 1 . 1 101 101 GLN C C 13 175.529 0.004 . . . . . . . 101 GLN C . 50542 1 586 . 1 . 1 101 101 GLN CA C 13 55.928 0.047 . . . . . . . 101 GLN CA . 50542 1 587 . 1 . 1 101 101 GLN CB C 13 29.466 0.046 . . . . . . . 101 GLN CB . 50542 1 588 . 1 . 1 101 101 GLN N N 15 119.409 0.009 . . . . . . . 101 GLN N . 50542 1 589 . 1 . 1 102 102 ASP H H 1 8.106 0.002 . . . . . . . 102 ASP H . 50542 1 590 . 1 . 1 102 102 ASP HA H 1 4.454 0.001 . . . . . . . 102 ASP HA . 50542 1 591 . 1 . 1 102 102 ASP C C 13 175.615 0.007 . . . . . . . 102 ASP C . 50542 1 592 . 1 . 1 102 102 ASP CA C 13 54.238 0.018 . . . . . . . 102 ASP CA . 50542 1 593 . 1 . 1 102 102 ASP CB C 13 41.061 0.057 . . . . . . . 102 ASP CB . 50542 1 594 . 1 . 1 102 102 ASP N N 15 120.937 0.019 . . . . . . . 102 ASP N . 50542 1 595 . 1 . 1 103 103 LEU H H 1 7.902 0.001 . . . . . . . 103 LEU H . 50542 1 596 . 1 . 1 103 103 LEU HA H 1 4.438 0.001 . . . . . . . 103 LEU HA . 50542 1 597 . 1 . 1 103 103 LEU C C 13 175.185 0.007 . . . . . . . 103 LEU C . 50542 1 598 . 1 . 1 103 103 LEU CA C 13 53.183 0.000 . . . . . . . 103 LEU CA . 50542 1 599 . 1 . 1 103 103 LEU CB C 13 41.658 0.000 . . . . . . . 103 LEU CB . 50542 1 600 . 1 . 1 103 103 LEU N N 15 123.097 0.011 . . . . . . . 103 LEU N . 50542 1 601 . 1 . 1 104 104 PRO HA H 1 4.255 0.002 . . . . . . . 104 PRO HA . 50542 1 602 . 1 . 1 104 104 PRO C C 13 176.963 0.011 . . . . . . . 104 PRO C . 50542 1 603 . 1 . 1 104 104 PRO CA C 13 63.326 0.019 . . . . . . . 104 PRO CA . 50542 1 604 . 1 . 1 104 104 PRO CB C 13 31.877 0.002 . . . . . . . 104 PRO CB . 50542 1 605 . 1 . 1 104 104 PRO N N 15 136.098 0.040 . . . . . . . 104 PRO N . 50542 1 606 . 1 . 1 105 105 GLN H H 1 8.292 0.001 . . . . . . . 105 GLN H . 50542 1 607 . 1 . 1 105 105 GLN HA H 1 4.138 0.000 . . . . . . . 105 GLN HA . 50542 1 608 . 1 . 1 105 105 GLN C C 13 176.025 0.008 . . . . . . . 105 GLN C . 50542 1 609 . 1 . 1 105 105 GLN CA C 13 55.736 0.020 . . . . . . . 105 GLN CA . 50542 1 610 . 1 . 1 105 105 GLN CB C 13 29.291 0.015 . . . . . . . 105 GLN CB . 50542 1 611 . 1 . 1 105 105 GLN N N 15 119.929 0.016 . . . . . . . 105 GLN N . 50542 1 612 . 1 . 1 106 106 ARG H H 1 8.196 0.002 . . . . . . . 106 ARG H . 50542 1 613 . 1 . 1 106 106 ARG HA H 1 4.174 0.003 . . . . . . . 106 ARG HA . 50542 1 614 . 1 . 1 106 106 ARG C C 13 176.218 0.022 . . . . . . . 106 ARG C . 50542 1 615 . 1 . 1 106 106 ARG CA C 13 56.139 0.176 . . . . . . . 106 ARG CA . 50542 1 616 . 1 . 1 106 106 ARG CB C 13 30.603 0.060 . . . . . . . 106 ARG CB . 50542 1 617 . 1 . 1 106 106 ARG N N 15 122.301 0.017 . . . . . . . 106 ARG N . 50542 1 618 . 1 . 1 107 107 LYS H H 1 8.274 0.003 . . . . . . . 107 LYS H . 50542 1 619 . 1 . 1 107 107 LYS HA H 1 4.191 0.000 . . . . . . . 107 LYS HA . 50542 1 620 . 1 . 1 107 107 LYS C C 13 176.574 0.013 . . . . . . . 107 LYS C . 50542 1 621 . 1 . 1 107 107 LYS CA C 13 56.331 0.000 . . . . . . . 107 LYS CA . 50542 1 622 . 1 . 1 107 107 LYS CB C 13 33.030 0.000 . . . . . . . 107 LYS CB . 50542 1 623 . 1 . 1 107 107 LYS N N 15 122.906 0.011 . . . . . . . 107 LYS N . 50542 1 624 . 1 . 1 108 108 SER H H 1 8.225 0.002 . . . . . . . 108 SER H . 50542 1 625 . 1 . 1 108 108 SER HA H 1 4.316 0.000 . . . . . . . 108 SER HA . 50542 1 626 . 1 . 1 108 108 SER C C 13 174.564 0.004 . . . . . . . 108 SER C . 50542 1 627 . 1 . 1 108 108 SER CA C 13 58.632 0.000 . . . . . . . 108 SER CA . 50542 1 628 . 1 . 1 108 108 SER CB C 13 63.691 0.000 . . . . . . . 108 SER CB . 50542 1 629 . 1 . 1 108 108 SER N N 15 116.879 0.050 . . . . . . . 108 SER N . 50542 1 630 . 1 . 1 109 109 SER H H 1 8.249 0.003 . . . . . . . 109 SER H . 50542 1 631 . 1 . 1 109 109 SER HA H 1 4.323 0.000 . . . . . . . 109 SER HA . 50542 1 632 . 1 . 1 109 109 SER C C 13 174.260 0.005 . . . . . . . 109 SER C . 50542 1 633 . 1 . 1 109 109 SER CA C 13 58.448 0.045 . . . . . . . 109 SER CA . 50542 1 634 . 1 . 1 109 109 SER CB C 13 63.657 0.028 . . . . . . . 109 SER CB . 50542 1 635 . 1 . 1 109 109 SER N N 15 117.953 0.033 . . . . . . . 109 SER N . 50542 1 636 . 1 . 1 110 110 LEU H H 1 8.059 0.001 . . . . . . . 110 LEU H . 50542 1 637 . 1 . 1 110 110 LEU HA H 1 4.224 0.001 . . . . . . . 110 LEU HA . 50542 1 638 . 1 . 1 110 110 LEU C C 13 177.252 0.005 . . . . . . . 110 LEU C . 50542 1 639 . 1 . 1 110 110 LEU CA C 13 55.476 0.018 . . . . . . . 110 LEU CA . 50542 1 640 . 1 . 1 110 110 LEU CB C 13 42.201 0.027 . . . . . . . 110 LEU CB . 50542 1 641 . 1 . 1 110 110 LEU N N 15 123.711 0.009 . . . . . . . 110 LEU N . 50542 1 642 . 1 . 1 111 111 VAL H H 1 7.969 0.001 . . . . . . . 111 VAL H . 50542 1 643 . 1 . 1 111 111 VAL HA H 1 4.017 0.000 . . . . . . . 111 VAL HA . 50542 1 644 . 1 . 1 111 111 VAL C C 13 176.334 0.008 . . . . . . . 111 VAL C . 50542 1 645 . 1 . 1 111 111 VAL CA C 13 62.530 0.036 . . . . . . . 111 VAL CA . 50542 1 646 . 1 . 1 111 111 VAL CB C 13 32.504 0.026 . . . . . . . 111 VAL CB . 50542 1 647 . 1 . 1 111 111 VAL N N 15 121.073 0.012 . . . . . . . 111 VAL N . 50542 1 648 . 1 . 1 112 112 THR H H 1 8.036 0.001 . . . . . . . 112 THR H . 50542 1 649 . 1 . 1 112 112 THR HA H 1 4.218 0.000 . . . . . . . 112 THR HA . 50542 1 650 . 1 . 1 112 112 THR C C 13 174.496 0.013 . . . . . . . 112 THR C . 50542 1 651 . 1 . 1 112 112 THR CA C 13 61.812 0.023 . . . . . . . 112 THR CA . 50542 1 652 . 1 . 1 112 112 THR CB C 13 69.524 0.055 . . . . . . . 112 THR CB . 50542 1 653 . 1 . 1 112 112 THR N N 15 117.462 0.018 . . . . . . . 112 THR N . 50542 1 654 . 1 . 1 113 113 SER H H 1 8.112 0.001 . . . . . . . 113 SER H . 50542 1 655 . 1 . 1 113 113 SER HA H 1 4.307 0.002 . . . . . . . 113 SER HA . 50542 1 656 . 1 . 1 113 113 SER C C 13 174.432 0.004 . . . . . . . 113 SER C . 50542 1 657 . 1 . 1 113 113 SER CA C 13 58.427 0.060 . . . . . . . 113 SER CA . 50542 1 658 . 1 . 1 113 113 SER CB C 13 63.726 0.048 . . . . . . . 113 SER CB . 50542 1 659 . 1 . 1 113 113 SER N N 15 117.985 0.010 . . . . . . . 113 SER N . 50542 1 660 . 1 . 1 114 114 LYS H H 1 8.204 0.001 . . . . . . . 114 LYS H . 50542 1 661 . 1 . 1 114 114 LYS HA H 1 4.174 0.000 . . . . . . . 114 LYS HA . 50542 1 662 . 1 . 1 114 114 LYS C C 13 176.458 0.014 . . . . . . . 114 LYS C . 50542 1 663 . 1 . 1 114 114 LYS CA C 13 56.572 0.047 . . . . . . . 114 LYS CA . 50542 1 664 . 1 . 1 114 114 LYS CB C 13 32.733 0.036 . . . . . . . 114 LYS CB . 50542 1 665 . 1 . 1 114 114 LYS N N 15 123.211 0.020 . . . . . . . 114 LYS N . 50542 1 666 . 1 . 1 115 115 LEU H H 1 8.024 0.000 . . . . . . . 115 LEU H . 50542 1 667 . 1 . 1 115 115 LEU HA H 1 4.185 0.001 . . . . . . . 115 LEU HA . 50542 1 668 . 1 . 1 115 115 LEU C C 13 177.115 0.006 . . . . . . . 115 LEU C . 50542 1 669 . 1 . 1 115 115 LEU CA C 13 55.153 0.038 . . . . . . . 115 LEU CA . 50542 1 670 . 1 . 1 115 115 LEU CB C 13 42.166 0.016 . . . . . . . 115 LEU CB . 50542 1 671 . 1 . 1 115 115 LEU N N 15 122.716 0.006 . . . . . . . 115 LEU N . 50542 1 672 . 1 . 1 116 116 ALA H H 1 8.121 0.000 . . . . . . . 116 ALA H . 50542 1 673 . 1 . 1 116 116 ALA HA H 1 4.183 0.000 . . . . . . . 116 ALA HA . 50542 1 674 . 1 . 1 116 116 ALA C C 13 178.072 0.019 . . . . . . . 116 ALA C . 50542 1 675 . 1 . 1 116 116 ALA CA C 13 52.638 0.070 . . . . . . . 116 ALA CA . 50542 1 676 . 1 . 1 116 116 ALA CB C 13 19.127 0.019 . . . . . . . 116 ALA CB . 50542 1 677 . 1 . 1 116 116 ALA N N 15 124.710 0.006 . . . . . . . 116 ALA N . 50542 1 678 . 1 . 1 117 117 GLY H H 1 8.194 0.001 . . . . . . . 117 GLY H . 50542 1 679 . 1 . 1 117 117 GLY HA2 H 1 3.832 0.000 . . . . . . . 117 GLY HA . 50542 1 680 . 1 . 1 117 117 GLY HA3 H 1 3.832 0.000 . . . . . . . 117 GLY HA . 50542 1 681 . 1 . 1 117 117 GLY C C 13 174.677 0.007 . . . . . . . 117 GLY C . 50542 1 682 . 1 . 1 117 117 GLY CA C 13 45.400 0.022 . . . . . . . 117 GLY CA . 50542 1 683 . 1 . 1 117 117 GLY N N 15 108.043 0.004 . . . . . . . 117 GLY N . 50542 1 684 . 1 . 1 118 118 GLY H H 1 8.105 0.000 . . . . . . . 118 GLY H . 50542 1 685 . 1 . 1 118 118 GLY HA2 H 1 3.815 0.000 . . . . . . . 118 GLY HA . 50542 1 686 . 1 . 1 118 118 GLY HA3 H 1 3.815 0.000 . . . . . . . 118 GLY HA . 50542 1 687 . 1 . 1 118 118 GLY C C 13 173.815 0.006 . . . . . . . 118 GLY C . 50542 1 688 . 1 . 1 118 118 GLY CA C 13 45.149 0.036 . . . . . . . 118 GLY CA . 50542 1 689 . 1 . 1 118 118 GLY N N 15 108.438 0.007 . . . . . . . 118 GLY N . 50542 1 690 . 1 . 1 119 119 GLN H H 1 8.091 0.001 . . . . . . . 119 GLN H . 50542 1 691 . 1 . 1 119 119 GLN HA H 1 4.254 0.000 . . . . . . . 119 GLN HA . 50542 1 692 . 1 . 1 119 119 GLN C C 13 175.656 0.007 . . . . . . . 119 GLN C . 50542 1 693 . 1 . 1 119 119 GLN CA C 13 55.693 0.056 . . . . . . . 119 GLN CA . 50542 1 694 . 1 . 1 119 119 GLN CB C 13 29.465 0.004 . . . . . . . 119 GLN CB . 50542 1 695 . 1 . 1 119 119 GLN N N 15 119.843 0.022 . . . . . . . 119 GLN N . 50542 1 696 . 1 . 1 120 120 VAL H H 1 8.092 0.001 . . . . . . . 120 VAL H . 50542 1 697 . 1 . 1 120 120 VAL HA H 1 4.015 0.000 . . . . . . . 120 VAL HA . 50542 1 698 . 1 . 1 120 120 VAL C C 13 175.122 0.005 . . . . . . . 120 VAL C . 50542 1 699 . 1 . 1 120 120 VAL CA C 13 62.387 0.039 . . . . . . . 120 VAL CA . 50542 1 700 . 1 . 1 120 120 VAL CB C 13 32.899 0.027 . . . . . . . 120 VAL CB . 50542 1 701 . 1 . 1 120 120 VAL N N 15 121.423 0.008 . . . . . . . 120 VAL N . 50542 1 702 . 1 . 1 121 121 GLU H H 1 7.885 0.000 . . . . . . . 121 GLU H . 50542 1 703 . 1 . 1 121 121 GLU HA H 1 3.986 0.000 . . . . . . . 121 GLU HA . 50542 1 704 . 1 . 1 121 121 GLU C C 13 180.848 0.005 . . . . . . . 121 GLU C . 50542 1 705 . 1 . 1 121 121 GLU CA C 13 58.078 0.000 . . . . . . . 121 GLU CA . 50542 1 706 . 1 . 1 121 121 GLU CB C 13 31.140 0.000 . . . . . . . 121 GLU CB . 50542 1 707 . 1 . 1 121 121 GLU N N 15 129.273 0.008 . . . . . . . 121 GLU N . 50542 1 stop_ save_