data_36409 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36409 _Entry.Title ; Solution strucutre of holo acyl carrier protein from Acinetobacter baumannii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-10 _Entry.Accession_date 2021-12-20 _Entry.Last_release_date 2021-12-20 _Entry.Original_release_date 2021-12-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Choi S. . . . 36409 2 J. Park J. . . . 36409 3 Y. Kim Y. . . . 36409 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BIOSYNTHETIC PROTEIN' . 36409 'acinetobacter baumannii' . 36409 'acyl carrier protein' . 36409 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36409 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 36409 '15N chemical shifts' 74 36409 '1H chemical shifts' 482 36409 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 1 . . 2025-10-25 . original BMRB . 36409 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7E42 'BMRB Entry Tracking System' 36409 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36409 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; solution structure of holo acyl carrier protein in acinetobacter baumannii ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 S. Choi S. . . . 36409 1 2 J. Park J. . . . 36409 1 3 Y. Kim Y. . . . 36409 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36409 _Assembly.ID 1 _Assembly.Name 'Acyl carrier protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'not present' _Assembly.Molecular_mass 8674.571 _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 . . . . ACP . 36409 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 MET 1 . A 1 MET . start . . 36409 1 . 1 1 10 GLN 10 . A 10 GLN . middle . . 36409 1 . 1 1 11 ALA 11 . A 11 ALA . middle . . 36409 1 . 1 1 12 VAL 12 . A 12 VAL . middle . . 36409 1 . 1 1 13 ALA 13 . A 13 ALA . middle . . 36409 1 . 1 1 14 GLU 14 . A 14 GLU . middle . . 36409 1 . 1 1 15 GLN 15 . A 15 GLN . middle . . 36409 1 . 1 1 16 LEU 16 . A 16 LEU . middle . . 36409 1 . 1 1 17 GLY 17 . A 17 GLY . middle no . 36409 1 . 1 1 18 LEU 18 . A 18 LEU . middle . . 36409 1 . 1 1 19 LYS 19 . A 19 LYS . middle . . 36409 1 . 1 1 2 SER 2 . A 2 SER . middle . . 36409 1 . 1 1 20 ALA 20 . A 20 ALA . middle . . 36409 1 . 1 1 21 GLU 21 . A 21 GLU . middle . . 36409 1 . 1 1 22 GLU 22 . A 22 GLU . middle . . 36409 1 . 1 1 23 ILE 23 . A 23 ILE . middle . . 36409 1 . 1 1 24 LYS 24 . A 24 LYS . middle . . 36409 1 . 1 1 25 ASN 25 . A 25 ASN . middle . . 36409 1 . 1 1 26 GLU 26 . A 26 GLU . middle . . 36409 1 . 1 1 27 ALA 27 . A 27 ALA . middle . . 36409 1 . 1 1 28 SER 28 . A 28 SER . middle . . 36409 1 . 1 1 29 PHE 29 . A 29 PHE . middle . . 36409 1 . 1 1 3 ASP 3 . A 3 ASP . middle . . 36409 1 . 1 1 30 MET 30 . A 30 MET . middle . . 36409 1 . 1 1 31 ASP 31 . A 31 ASP . middle . . 36409 1 . 1 1 32 ASP 32 . A 32 ASP . middle . . 36409 1 . 1 1 33 LEU 33 . A 33 LEU . middle . . 36409 1 . 1 1 34 GLY 34 . A 34 GLY . middle no . 36409 1 . 1 1 35 ALA 35 . A 35 ALA . middle . . 36409 1 . 1 1 36 ASP 36 . A 36 ASP . middle . . 36409 1 . 1 1 37 SER 37 . A 37 SER . middle . . 36409 1 . 1 1 38 LEU 38 . A 38 LEU . middle . . 36409 1 . 1 1 39 ASP 39 . A 39 ASP . middle . . 36409 1 . 1 1 4 ILE 4 . A 4 ILE . middle . . 36409 1 . 1 1 40 LEU 40 . A 40 LEU . middle . . 36409 1 . 1 1 41 VAL 41 . A 41 VAL . middle . . 36409 1 . 1 1 42 GLU 42 . A 42 GLU . middle . . 36409 1 . 1 1 43 LEU 43 . A 43 LEU . middle . . 36409 1 . 1 1 44 VAL 44 . A 44 VAL . middle . . 36409 1 . 1 1 45 MET 45 . A 45 MET . middle . . 36409 1 . 1 1 46 SER 46 . A 46 SER . middle . . 36409 1 . 1 1 47 PHE 47 . A 47 PHE . middle . . 36409 1 . 1 1 48 GLU 48 . A 48 GLU . middle . . 36409 1 . 1 1 49 ASN 49 . A 49 ASN . middle . . 36409 1 . 1 1 5 GLU 5 . A 5 GLU . middle . . 36409 1 . 1 1 50 ASP 50 . A 50 ASP . middle . . 36409 1 . 1 1 51 PHE 51 . A 51 PHE . middle . . 36409 1 . 1 1 52 ASP 52 . A 52 ASP . middle . . 36409 1 . 1 1 53 ILE 53 . A 53 ILE . middle . . 36409 1 . 1 1 54 THR 54 . A 54 THR . middle . . 36409 1 . 1 1 55 ILE 55 . A 55 ILE . middle . . 36409 1 . 1 1 56 PRO 56 . A 56 PRO . middle no . 36409 1 . 1 1 57 ASP 57 . A 57 ASP . middle . . 36409 1 . 1 1 58 GLU 58 . A 58 GLU . middle . . 36409 1 . 1 1 59 ASP 59 . A 59 ASP . middle . . 36409 1 . 1 1 6 GLN 6 . A 6 GLN . middle . . 36409 1 . 1 1 60 SER 60 . A 60 SER . middle . . 36409 1 . 1 1 61 ASN 61 . A 61 ASN . middle . . 36409 1 . 1 1 62 GLU 62 . A 62 GLU . middle . . 36409 1 . 1 1 63 ILE 63 . A 63 ILE . middle . . 36409 1 . 1 1 64 THR 64 . A 64 THR . middle . . 36409 1 . 1 1 65 THR 65 . A 65 THR . middle . . 36409 1 . 1 1 66 VAL 66 . A 66 VAL . middle . . 36409 1 . 1 1 67 GLN 67 . A 67 GLN . middle . . 36409 1 . 1 1 68 SER 68 . A 68 SER . middle . . 36409 1 . 1 1 69 ALA 69 . A 69 ALA . middle . . 36409 1 . 1 1 7 ARG 7 . A 7 ARG . middle . . 36409 1 . 1 1 70 ILE 70 . A 70 ILE . middle . . 36409 1 . 1 1 71 ASP 71 . A 71 ASP . middle . . 36409 1 . 1 1 72 TYR 72 . A 72 TYR . middle . . 36409 1 . 1 1 73 VAL 73 . A 73 VAL . middle . . 36409 1 . 1 1 74 THR 74 . A 74 THR . middle . . 36409 1 . 1 1 75 LYS 75 . A 75 LYS . middle . . 36409 1 . 1 1 76 LYS 76 . A 76 LYS . middle . . 36409 1 . 1 1 77 LEU 77 . A 77 LEU . middle . . 36409 1 . 1 1 78 GLY 78 . A 78 GLY . end no . 36409 1 . 1 1 8 VAL 8 . A 8 VAL . middle . . 36409 1 . 1 1 9 LYS 9 . A 9 LYS . middle . . 36409 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36409 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Acyl carrier protein' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; MSDIEQRVKQAVAEQLGLKA EEIKNEASFMDDLGADSLDL VELVMSFENDFDITIPDEDS NEITTVQSAIDYVTKKLG ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8674.571 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ACP common 36409 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 1 MET . 36409 1 2 2 SER . 36409 1 3 3 ASP . 36409 1 4 4 ILE . 36409 1 5 5 GLU . 36409 1 6 6 GLN . 36409 1 7 7 ARG . 36409 1 8 8 VAL . 36409 1 9 9 LYS . 36409 1 10 10 GLN . 36409 1 11 11 ALA . 36409 1 12 12 VAL . 36409 1 13 13 ALA . 36409 1 14 14 GLU . 36409 1 15 15 GLN . 36409 1 16 16 LEU . 36409 1 17 17 GLY . 36409 1 18 18 LEU . 36409 1 19 19 LYS . 36409 1 20 20 ALA . 36409 1 21 21 GLU . 36409 1 22 22 GLU . 36409 1 23 23 ILE . 36409 1 24 24 LYS . 36409 1 25 25 ASN . 36409 1 26 26 GLU . 36409 1 27 27 ALA . 36409 1 28 28 SER . 36409 1 29 29 PHE . 36409 1 30 30 MET . 36409 1 31 31 ASP . 36409 1 32 32 ASP . 36409 1 33 33 LEU . 36409 1 34 34 GLY . 36409 1 35 35 ALA . 36409 1 36 36 ASP . 36409 1 37 37 SER . 36409 1 38 38 LEU . 36409 1 39 39 ASP . 36409 1 40 40 LEU . 36409 1 41 41 VAL . 36409 1 42 42 GLU . 36409 1 43 43 LEU . 36409 1 44 44 VAL . 36409 1 45 45 MET . 36409 1 46 46 SER . 36409 1 47 47 PHE . 36409 1 48 48 GLU . 36409 1 49 49 ASN . 36409 1 50 50 ASP . 36409 1 51 51 PHE . 36409 1 52 52 ASP . 36409 1 53 53 ILE . 36409 1 54 54 THR . 36409 1 55 55 ILE . 36409 1 56 56 PRO . 36409 1 57 57 ASP . 36409 1 58 58 GLU . 36409 1 59 59 ASP . 36409 1 60 60 SER . 36409 1 61 61 ASN . 36409 1 62 62 GLU . 36409 1 63 63 ILE . 36409 1 64 64 THR . 36409 1 65 65 THR . 36409 1 66 66 VAL . 36409 1 67 67 GLN . 36409 1 68 68 SER . 36409 1 69 69 ALA . 36409 1 70 70 ILE . 36409 1 71 71 ASP . 36409 1 72 72 TYR . 36409 1 73 73 VAL . 36409 1 74 74 THR . 36409 1 75 75 LYS . 36409 1 76 76 LYS . 36409 1 77 77 LEU . 36409 1 78 78 GLY . 36409 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 36409 1 . SER 2 2 36409 1 . ASP 3 3 36409 1 . ILE 4 4 36409 1 . GLU 5 5 36409 1 . GLN 6 6 36409 1 . ARG 7 7 36409 1 . VAL 8 8 36409 1 . LYS 9 9 36409 1 . GLN 10 10 36409 1 . ALA 11 11 36409 1 . VAL 12 12 36409 1 . ALA 13 13 36409 1 . GLU 14 14 36409 1 . GLN 15 15 36409 1 . LEU 16 16 36409 1 . GLY 17 17 36409 1 . LEU 18 18 36409 1 . LYS 19 19 36409 1 . ALA 20 20 36409 1 . GLU 21 21 36409 1 . GLU 22 22 36409 1 . ILE 23 23 36409 1 . LYS 24 24 36409 1 . ASN 25 25 36409 1 . GLU 26 26 36409 1 . ALA 27 27 36409 1 . SER 28 28 36409 1 . PHE 29 29 36409 1 . MET 30 30 36409 1 . ASP 31 31 36409 1 . ASP 32 32 36409 1 . LEU 33 33 36409 1 . GLY 34 34 36409 1 . ALA 35 35 36409 1 . ASP 36 36 36409 1 . SER 37 37 36409 1 . LEU 38 38 36409 1 . ASP 39 39 36409 1 . LEU 40 40 36409 1 . VAL 41 41 36409 1 . GLU 42 42 36409 1 . LEU 43 43 36409 1 . VAL 44 44 36409 1 . MET 45 45 36409 1 . SER 46 46 36409 1 . PHE 47 47 36409 1 . GLU 48 48 36409 1 . ASN 49 49 36409 1 . ASP 50 50 36409 1 . PHE 51 51 36409 1 . ASP 52 52 36409 1 . ILE 53 53 36409 1 . THR 54 54 36409 1 . ILE 55 55 36409 1 . PRO 56 56 36409 1 . ASP 57 57 36409 1 . GLU 58 58 36409 1 . ASP 59 59 36409 1 . SER 60 60 36409 1 . ASN 61 61 36409 1 . GLU 62 62 36409 1 . ILE 63 63 36409 1 . THR 64 64 36409 1 . THR 65 65 36409 1 . VAL 66 66 36409 1 . GLN 67 67 36409 1 . SER 68 68 36409 1 . ALA 69 69 36409 1 . ILE 70 70 36409 1 . ASP 71 71 36409 1 . TYR 72 72 36409 1 . VAL 73 73 36409 1 . THR 74 74 36409 1 . LYS 75 75 36409 1 . LYS 76 76 36409 1 . LEU 77 77 36409 1 . GLY 78 78 36409 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 36409 _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 . 470 organism . 'Acinetobacter baumannii' . . . Bacteria Pseudomonadati Acinetobacter baumannii . . . . . . . . . . . ; acpP, acpP_1, A7M79_02500, A7M90_13800, A9843_07390, AA954_11690, AB552B1_00559, AB71191_02236, AB901B6_02682, AB945B12_01328, ABC003_01415, ABCAM1_0761, ABKPCSM17A_02555, ABUW_3107, B4R90_07745, B9W69_04050, B9X95_05715, BGC29_09160, C2U32_18370, CEJ64_13015, CHQ89_11435, CPI82_11020, CSB70_0490, DLI67_08260, DLI69_06490, DLI75_02485, DOL94_00650, DVA69_14465, E2533_13480, E2535_15960, E2540_16920, EA667_015135, EA685_07000, EA686_08845, EA706_03190, EA722_03690, EKS29_20230, EWO92_12310, EWO96_16395, EWP49_14855, F4T91_07160, F4U04_04845, F8B16_05690, FD887_09470, FD913_04770, FDO31_02470, FGL68_16335, FJU36_15150, FJU42_04970, FJU76_14985, FJU79_08995, FJU87_10855, FJV14_09525, FR761_05255, G3N45_07055, GNY86_00055, GSE42_04680, GUK62_09305, IX87_18425, LV38_02925, NCTC13305_01644, NCTC13420_02175, NT90_07370, SAMEA104305215_02050, SAMEA104305261_00624, SAMEA104305318_02348, SAMEA104305351_01935 ; . 36409 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 36409 _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' 'E. coli' . 562 Escherichia coli . . . plasmid . . pET-11a . . . 36409 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_sample _Sample.Entry_ID 36409 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-100% 13C; U-100% 15N] acyl carrier protein, 25 mM MES, 5 mM calcium chloride, 5 mM DTT, 0.02 % sodium azide, 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 'acyl carrier protein' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36409 1 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.02 . . % . . . . 36409 1 3 DTT 'natural abundance' . . . . . 'reducing agent' 5 . . mM . . . . 36409 1 4 'calcium chloride' 'natural abundance' . . . . . salt 5 . . mM . . . . 36409 1 5 MES 'natural abundance' . . . . . buffer 25 . . mM . . . . 36409 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36409 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36409 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36409 _Sample.ID 2 _Sample.Name 'non-labeled sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM acyl carrier protein, 25 mM MES, 5 mM calcium chloride, 5 mM DTT, 0.02 % sodium azide, 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 'acyl carrier protein' 'natural abundance' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36409 2 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.02 . . % . . . . 36409 2 3 DTT 'natural abundance' . . . . . 'reducing agent' 5 . . mM . . . . 36409 2 4 'calcium chloride' 'natural abundance' . . . . . salt 5 . . mM . . . . 36409 2 5 MES 'natural abundance' . . . . . buffer 25 . . mM . . . . 36409 2 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36409 2 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36409 2 stop_ save_ save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 36409 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 15N] acyl carrier protein, 25 mM MES, 5 mM calcium chloride, 5 mM DTT, 0.02 % sodium azide, 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 'acyl carrier protein' '[U-100% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36409 3 2 'sodium azide' 'natural abundance' . . . . . cytocide 0.02 . . % . . . . 36409 3 3 DTT 'natural abundance' . . . . . 'reducing agent' 5 . . mM . . . . 36409 3 4 'calcium chloride' 'natural abundance' . . . . . salt 5 . . mM . . . . 36409 3 5 MES 'natural abundance' . . . . . buffer 25 . . mM . . . . 36409 3 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36409 3 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36409 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 36409 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 1_buffer 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' 15 . mM 36409 1 pH 6.1 . pH 36409 1 pressure 1 . atm 36409 1 temperature 298 . K 36409 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 36409 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details '2_polyacrylamide gel' 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' 15 . mM 36409 2 pH 6.1 . pH 36409 2 pressure 1 . atm 36409 2 temperature 298 . K 36409 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36409 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36409 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36409 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36409 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36409 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36409 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36409 _Software.ID 3 _Software.Type . _Software.Name PONDEROSA-C/S _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Stark and Markley' . . 36409 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36409 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36409 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli and Markley' . . 36409 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36409 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36409 _Software.ID 5 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli and Markley' . . 36409 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36409 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36409 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36409 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36409 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 36409 _Software.ID 7 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36409 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36409 7 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 36409 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36409 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36409 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE II' . 900 . . . 36409 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 700 . . . 36409 1 stop_ 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 36409 _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' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 2 '3D HNCO' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 3 '3D HNCACB' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 5 '3D HBHA(CO)NH' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 6 '3D H(CCO)NH' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 7 '3D C(CO)NH' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 8 '2D 1H-1H NOESY' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 9 '3D 1H-15N NOESY' . . . . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 10 '3D 1H-13C NOESY' . . . . . . . . . . . . . 1 $13C_15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36409 1 11 '2D HSQC-DSSE(IPAP)' . . . . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36409 1 12 '2D HSQC-DSSE(IPAP)' . . . . . . . . . . . . . 3 $15N_sample anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36409 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36409 _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 internal indirect 0.251449530 . . . . . 36409 1 H 1 DSS 'methylene protons' . . . . ppm 0 internal indirect 1.0 . . . . . 36409 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 36409 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 36409 _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 $chemical_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' 1 $13C_15N_sample isotropic 36409 1 2 '3D HNCO' 1 $13C_15N_sample isotropic 36409 1 3 '3D HNCACB' 1 $13C_15N_sample isotropic 36409 1 4 '3D CBCA(CO)NH' 1 $13C_15N_sample isotropic 36409 1 5 '3D HBHA(CO)NH' 1 $13C_15N_sample isotropic 36409 1 6 '3D H(CCO)NH' 1 $13C_15N_sample isotropic 36409 1 7 '3D C(CO)NH' 1 $13C_15N_sample isotropic 36409 1 8 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36409 1 9 '3D 1H-15N NOESY' 3 $15N_sample isotropic 36409 1 10 '3D 1H-13C NOESY' 1 $13C_15N_sample isotropic 36409 1 11 '2D HSQC-DSSE(IPAP)' 3 $15N_sample isotropic 36409 1 12 '2D HSQC-DSSE(IPAP)' 3 $15N_sample anisotropic 36409 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 3 3 ASP HA H 1 4.755 0.011 . 1 . . . . A 3 ASP HA . 36409 1 2 . 1 . 1 3 3 ASP HB2 H 1 2.906 0 . 1 . . . . A 3 ASP HB2 . 36409 1 3 . 1 . 1 3 3 ASP HB3 H 1 2.782 0.018 . 1 . . . . A 3 ASP HB3 . 36409 1 4 . 1 . 1 3 3 ASP C C 13 176.534 0 . 1 . . . . A 3 ASP C . 36409 1 5 . 1 . 1 3 3 ASP CA C 13 54.722 0.044 . 1 . . . . A 3 ASP CA . 36409 1 6 . 1 . 1 3 3 ASP CB C 13 40.941 0.027 . 1 . . . . A 3 ASP CB . 36409 1 7 . 1 . 1 4 4 ILE H H 1 8.008 0.003 . 1 . . . . A 4 ILE H . 36409 1 8 . 1 . 1 4 4 ILE HA H 1 3.666 0.008 . 1 . . . . A 4 ILE HA . 36409 1 9 . 1 . 1 4 4 ILE HB H 1 1.691 0.006 . 1 . . . . A 4 ILE HB . 36409 1 10 . 1 . 1 4 4 ILE HG12 H 1 1.083 0 . 1 . . . . A 4 ILE HG12 . 36409 1 11 . 1 . 1 4 4 ILE HG13 H 1 1.083 0 . 1 . . . . A 4 ILE HG13 . 36409 1 12 . 1 . 1 4 4 ILE HG21 H 1 0.737 0 . 1 . . . . A 4 ILE HG21 . 36409 1 13 . 1 . 1 4 4 ILE HG22 H 1 0.737 0 . 1 . . . . A 4 ILE HG22 . 36409 1 14 . 1 . 1 4 4 ILE HG23 H 1 0.737 0 . 1 . . . . A 4 ILE HG23 . 36409 1 15 . 1 . 1 4 4 ILE HD11 H 1 0.62 0 . 1 . . . . A 4 ILE HD11 . 36409 1 16 . 1 . 1 4 4 ILE HD12 H 1 0.62 0 . 1 . . . . A 4 ILE HD12 . 36409 1 17 . 1 . 1 4 4 ILE HD13 H 1 0.62 0 . 1 . . . . A 4 ILE HD13 . 36409 1 18 . 1 . 1 4 4 ILE C C 13 177.291 0 . 1 . . . . A 4 ILE C . 36409 1 19 . 1 . 1 4 4 ILE CA C 13 65.581 0.136 . 1 . . . . A 4 ILE CA . 36409 1 20 . 1 . 1 4 4 ILE CB C 13 37.643 0.048 . 1 . . . . A 4 ILE CB . 36409 1 21 . 1 . 1 4 4 ILE CG1 C 13 28.907 0 . 1 . . . . A 4 ILE CG1 . 36409 1 22 . 1 . 1 4 4 ILE CG2 C 13 18.033 0 . 1 . . . . A 4 ILE CG2 . 36409 1 23 . 1 . 1 4 4 ILE N N 15 120.043 0.016 . 1 . . . . A 4 ILE N . 36409 1 24 . 1 . 1 5 5 GLU H H 1 8.271 0.003 . 1 . . . . A 5 GLU H . 36409 1 25 . 1 . 1 5 5 GLU HA H 1 3.68 0.006 . 1 . . . . A 5 GLU HA . 36409 1 26 . 1 . 1 5 5 GLU HB2 H 1 2.14 0.021 . 1 . . . . A 5 GLU HB2 . 36409 1 27 . 1 . 1 5 5 GLU HB3 H 1 2.14 0.021 . 1 . . . . A 5 GLU HB3 . 36409 1 28 . 1 . 1 5 5 GLU C C 13 177.541 0 . 1 . . . . A 5 GLU C . 36409 1 29 . 1 . 1 5 5 GLU CA C 13 60.071 0.106 . 1 . . . . A 5 GLU CA . 36409 1 30 . 1 . 1 5 5 GLU CB C 13 29.237 0.105 . 1 . . . . A 5 GLU CB . 36409 1 31 . 1 . 1 5 5 GLU CG C 13 36.133 0 . 1 . . . . A 5 GLU CG . 36409 1 32 . 1 . 1 5 5 GLU N N 15 119.413 0.022 . 1 . . . . A 5 GLU N . 36409 1 33 . 1 . 1 6 6 GLN H H 1 8.153 0.005 . 1 . . . . A 6 GLN H . 36409 1 34 . 1 . 1 6 6 GLN HA H 1 4.003 0.022 . 1 . . . . A 6 GLN HA . 36409 1 35 . 1 . 1 6 6 GLN HB2 H 1 2.198 0.014 . 1 . . . . A 6 GLN HB2 . 36409 1 36 . 1 . 1 6 6 GLN HB3 H 1 2.198 0.014 . 1 . . . . A 6 GLN HB3 . 36409 1 37 . 1 . 1 6 6 GLN HG2 H 1 2.478 0.006 . 1 . . . . A 6 GLN HG2 . 36409 1 38 . 1 . 1 6 6 GLN HG3 H 1 2.478 0.006 . 1 . . . . A 6 GLN HG3 . 36409 1 39 . 1 . 1 6 6 GLN C C 13 178.979 0 . 1 . . . . A 6 GLN C . 36409 1 40 . 1 . 1 6 6 GLN CA C 13 59.153 0.164 . 1 . . . . A 6 GLN CA . 36409 1 41 . 1 . 1 6 6 GLN CB C 13 28.416 0.148 . 1 . . . . A 6 GLN CB . 36409 1 42 . 1 . 1 6 6 GLN CG C 13 33.873 0 . 1 . . . . A 6 GLN CG . 36409 1 43 . 1 . 1 6 6 GLN N N 15 117.378 0.015 . 1 . . . . A 6 GLN N . 36409 1 44 . 1 . 1 7 7 ARG H H 1 8.281 0.003 . 1 . . . . A 7 ARG H . 36409 1 45 . 1 . 1 7 7 ARG HA H 1 4.104 0.01 . 1 . . . . A 7 ARG HA . 36409 1 46 . 1 . 1 7 7 ARG HB2 H 1 2.084 0.006 . 1 . . . . A 7 ARG HB2 . 36409 1 47 . 1 . 1 7 7 ARG HB3 H 1 1.994 0.001 . 1 . . . . A 7 ARG HB3 . 36409 1 48 . 1 . 1 7 7 ARG HG2 H 1 1.684 0 . 1 . . . . A 7 ARG HG2 . 36409 1 49 . 1 . 1 7 7 ARG HG3 H 1 1.684 0 . 1 . . . . A 7 ARG HG3 . 36409 1 50 . 1 . 1 7 7 ARG HD2 H 1 3.227 0 . 1 . . . . A 7 ARG HD2 . 36409 1 51 . 1 . 1 7 7 ARG HD3 H 1 2.96 0.003 . 1 . . . . A 7 ARG HD3 . 36409 1 52 . 1 . 1 7 7 ARG C C 13 180.645 0 . 1 . . . . A 7 ARG C . 36409 1 53 . 1 . 1 7 7 ARG CA C 13 59.871 0.176 . 1 . . . . A 7 ARG CA . 36409 1 54 . 1 . 1 7 7 ARG CB C 13 31.743 0.027 . 1 . . . . A 7 ARG CB . 36409 1 55 . 1 . 1 7 7 ARG CG C 13 27.557 0 . 1 . . . . A 7 ARG CG . 36409 1 56 . 1 . 1 7 7 ARG CD C 13 44.355 0 . 1 . . . . A 7 ARG CD . 36409 1 57 . 1 . 1 7 7 ARG N N 15 119.333 0.021 . 1 . . . . A 7 ARG N . 36409 1 58 . 1 . 1 8 8 VAL H H 1 9.101 0.002 . 1 . . . . A 8 VAL H . 36409 1 59 . 1 . 1 8 8 VAL HA H 1 3.897 0.015 . 1 . . . . A 8 VAL HA . 36409 1 60 . 1 . 1 8 8 VAL HB H 1 2.165 0.015 . 1 . . . . A 8 VAL HB . 36409 1 61 . 1 . 1 8 8 VAL HG11 H 1 0.891 0.011 . 1 . . . . A 8 VAL HG11 . 36409 1 62 . 1 . 1 8 8 VAL HG12 H 1 0.891 0.011 . 1 . . . . A 8 VAL HG12 . 36409 1 63 . 1 . 1 8 8 VAL HG13 H 1 0.891 0.011 . 1 . . . . A 8 VAL HG13 . 36409 1 64 . 1 . 1 8 8 VAL HG21 H 1 0.76 0.022 . 1 . . . . A 8 VAL HG21 . 36409 1 65 . 1 . 1 8 8 VAL HG22 H 1 0.76 0.022 . 1 . . . . A 8 VAL HG22 . 36409 1 66 . 1 . 1 8 8 VAL HG23 H 1 0.76 0.022 . 1 . . . . A 8 VAL HG23 . 36409 1 67 . 1 . 1 8 8 VAL C C 13 177.9 0 . 1 . . . . A 8 VAL C . 36409 1 68 . 1 . 1 8 8 VAL CA C 13 67.521 0.103 . 1 . . . . A 8 VAL CA . 36409 1 69 . 1 . 1 8 8 VAL CB C 13 31.657 0.204 . 1 . . . . A 8 VAL CB . 36409 1 70 . 1 . 1 8 8 VAL CG1 C 13 23.322 0 . 1 . . . . A 8 VAL CG1 . 36409 1 71 . 1 . 1 8 8 VAL CG2 C 13 21.282 0 . 1 . . . . A 8 VAL CG2 . 36409 1 72 . 1 . 1 8 8 VAL N N 15 121.945 0.027 . 1 . . . . A 8 VAL N . 36409 1 73 . 1 . 1 9 9 LYS H H 1 8.434 0.003 . 1 . . . . A 9 LYS H . 36409 1 74 . 1 . 1 9 9 LYS HA H 1 3.754 0.002 . 1 . . . . A 9 LYS HA . 36409 1 75 . 1 . 1 9 9 LYS HB2 H 1 2 0.009 . 1 . . . . A 9 LYS HB2 . 36409 1 76 . 1 . 1 9 9 LYS HB3 H 1 1.853 0.015 . 1 . . . . A 9 LYS HB3 . 36409 1 77 . 1 . 1 9 9 LYS HG2 H 1 0.98 0.001 . 1 . . . . A 9 LYS HG2 . 36409 1 78 . 1 . 1 9 9 LYS HG3 H 1 0.98 0.001 . 1 . . . . A 9 LYS HG3 . 36409 1 79 . 1 . 1 9 9 LYS HD2 H 1 1.641 0 . 1 . . . . A 9 LYS HD2 . 36409 1 80 . 1 . 1 9 9 LYS HD3 H 1 1.62 0 . 1 . . . . A 9 LYS HD3 . 36409 1 81 . 1 . 1 9 9 LYS HE2 H 1 2.727 0 . 1 . . . . A 9 LYS HE2 . 36409 1 82 . 1 . 1 9 9 LYS HE3 H 1 2.727 0 . 1 . . . . A 9 LYS HE3 . 36409 1 83 . 1 . 1 9 9 LYS C C 13 178.222 0 . 1 . . . . A 9 LYS C . 36409 1 84 . 1 . 1 9 9 LYS CA C 13 62.125 0.175 . 1 . . . . A 9 LYS CA . 36409 1 85 . 1 . 1 9 9 LYS CB C 13 32.293 0.089 . 1 . . . . A 9 LYS CB . 36409 1 86 . 1 . 1 9 9 LYS CG C 13 24.482 0 . 1 . . . . A 9 LYS CG . 36409 1 87 . 1 . 1 9 9 LYS CD C 13 29.072 0 . 1 . . . . A 9 LYS CD . 36409 1 88 . 1 . 1 9 9 LYS CE C 13 43.076 0 . 1 . . . . A 9 LYS CE . 36409 1 89 . 1 . 1 9 9 LYS N N 15 117.716 0.025 . 1 . . . . A 9 LYS N . 36409 1 90 . 1 . 1 10 10 GLN H H 1 8.504 0.004 . 1 . . . . A 10 GLN H . 36409 1 91 . 1 . 1 10 10 GLN HA H 1 4.052 0.017 . 1 . . . . A 10 GLN HA . 36409 1 92 . 1 . 1 10 10 GLN HB2 H 1 2.244 0.006 . 1 . . . . A 10 GLN HB2 . 36409 1 93 . 1 . 1 10 10 GLN HB3 H 1 2.11 0.007 . 1 . . . . A 10 GLN HB3 . 36409 1 94 . 1 . 1 10 10 GLN HG2 H 1 2.474 0.001 . 1 . . . . A 10 GLN HG2 . 36409 1 95 . 1 . 1 10 10 GLN HG3 H 1 2.474 0.001 . 1 . . . . A 10 GLN HG3 . 36409 1 96 . 1 . 1 10 10 GLN C C 13 177.747 0 . 1 . . . . A 10 GLN C . 36409 1 97 . 1 . 1 10 10 GLN CA C 13 58.965 0.163 . 1 . . . . A 10 GLN CA . 36409 1 98 . 1 . 1 10 10 GLN CB C 13 28.018 0.153 . 1 . . . . A 10 GLN CB . 36409 1 99 . 1 . 1 10 10 GLN CG C 13 33.308 0 . 1 . . . . A 10 GLN CG . 36409 1 100 . 1 . 1 10 10 GLN N N 15 118.428 0.015 . 1 . . . . A 10 GLN N . 36409 1 101 . 1 . 1 11 11 ALA H H 1 7.739 0.004 . 1 . . . . A 11 ALA H . 36409 1 102 . 1 . 1 11 11 ALA HA H 1 4.289 0.007 . 1 . . . . A 11 ALA HA . 36409 1 103 . 1 . 1 11 11 ALA HB1 H 1 1.723 0.014 . 1 . . . . A 11 ALA HB1 . 36409 1 104 . 1 . 1 11 11 ALA HB2 H 1 1.723 0.014 . 1 . . . . A 11 ALA HB2 . 36409 1 105 . 1 . 1 11 11 ALA HB3 H 1 1.723 0.014 . 1 . . . . A 11 ALA HB3 . 36409 1 106 . 1 . 1 11 11 ALA C C 13 181.215 0 . 1 . . . . A 11 ALA C . 36409 1 107 . 1 . 1 11 11 ALA CA C 13 55.454 0.387 . 1 . . . . A 11 ALA CA . 36409 1 108 . 1 . 1 11 11 ALA CB C 13 18.063 0.028 . 1 . . . . A 11 ALA CB . 36409 1 109 . 1 . 1 11 11 ALA N N 15 121.974 0.017 . 1 . . . . A 11 ALA N . 36409 1 110 . 1 . 1 12 12 VAL H H 1 8.47 0.003 . 1 . . . . A 12 VAL H . 36409 1 111 . 1 . 1 12 12 VAL HA H 1 3.499 0.019 . 1 . . . . A 12 VAL HA . 36409 1 112 . 1 . 1 12 12 VAL HB H 1 2.345 0.007 . 1 . . . . A 12 VAL HB . 36409 1 113 . 1 . 1 12 12 VAL HG11 H 1 1.411 0.001 . 1 . . . . A 12 VAL HG11 . 36409 1 114 . 1 . 1 12 12 VAL HG12 H 1 1.411 0.001 . 1 . . . . A 12 VAL HG12 . 36409 1 115 . 1 . 1 12 12 VAL HG13 H 1 1.411 0.001 . 1 . . . . A 12 VAL HG13 . 36409 1 116 . 1 . 1 12 12 VAL HG21 H 1 1.014 0.001 . 1 . . . . A 12 VAL HG21 . 36409 1 117 . 1 . 1 12 12 VAL HG22 H 1 1.014 0.001 . 1 . . . . A 12 VAL HG22 . 36409 1 118 . 1 . 1 12 12 VAL HG23 H 1 1.014 0.001 . 1 . . . . A 12 VAL HG23 . 36409 1 119 . 1 . 1 12 12 VAL C C 13 176.82 0 . 1 . . . . A 12 VAL C . 36409 1 120 . 1 . 1 12 12 VAL CA C 13 66.442 0.097 . 1 . . . . A 12 VAL CA . 36409 1 121 . 1 . 1 12 12 VAL CB C 13 32.069 0.195 . 1 . . . . A 12 VAL CB . 36409 1 122 . 1 . 1 12 12 VAL CG1 C 13 23.726 0 . 1 . . . . A 12 VAL CG1 . 36409 1 123 . 1 . 1 12 12 VAL CG2 C 13 23.222 0 . 1 . . . . A 12 VAL CG2 . 36409 1 124 . 1 . 1 12 12 VAL N N 15 119.006 0.015 . 1 . . . . A 12 VAL N . 36409 1 125 . 1 . 1 13 13 ALA H H 1 8.626 0.004 . 1 . . . . A 13 ALA H . 36409 1 126 . 1 . 1 13 13 ALA HA H 1 3.708 0.004 . 1 . . . . A 13 ALA HA . 36409 1 127 . 1 . 1 13 13 ALA HB1 H 1 1.461 0.01 . 1 . . . . A 13 ALA HB1 . 36409 1 128 . 1 . 1 13 13 ALA HB2 H 1 1.461 0.01 . 1 . . . . A 13 ALA HB2 . 36409 1 129 . 1 . 1 13 13 ALA HB3 H 1 1.461 0.01 . 1 . . . . A 13 ALA HB3 . 36409 1 130 . 1 . 1 13 13 ALA C C 13 180.055 0 . 1 . . . . A 13 ALA C . 36409 1 131 . 1 . 1 13 13 ALA CA C 13 56.069 0.017 . 1 . . . . A 13 ALA CA . 36409 1 132 . 1 . 1 13 13 ALA CB C 13 17.609 0.034 . 1 . . . . A 13 ALA CB . 36409 1 133 . 1 . 1 13 13 ALA N N 15 121.704 0.015 . 1 . . . . A 13 ALA N . 36409 1 134 . 1 . 1 14 14 GLU H H 1 8.242 0.003 . 1 . . . . A 14 GLU H . 36409 1 135 . 1 . 1 14 14 GLU HA H 1 4.071 0.017 . 1 . . . . A 14 GLU HA . 36409 1 136 . 1 . 1 14 14 GLU HB2 H 1 2.13 0.002 . 1 . . . . A 14 GLU HB2 . 36409 1 137 . 1 . 1 14 14 GLU HB3 H 1 2.064 0.006 . 1 . . . . A 14 GLU HB3 . 36409 1 138 . 1 . 1 14 14 GLU HG2 H 1 2.349 0.021 . 1 . . . . A 14 GLU HG2 . 36409 1 139 . 1 . 1 14 14 GLU HG3 H 1 2.471 0.021 . 1 . . . . A 14 GLU HG3 . 36409 1 140 . 1 . 1 14 14 GLU C C 13 179.076 0 . 1 . . . . A 14 GLU C . 36409 1 141 . 1 . 1 14 14 GLU CA C 13 58.76 0.125 . 1 . . . . A 14 GLU CA . 36409 1 142 . 1 . 1 14 14 GLU CB C 13 29.533 0.086 . 1 . . . . A 14 GLU CB . 36409 1 143 . 1 . 1 14 14 GLU CG C 13 36.203 0 . 1 . . . . A 14 GLU CG . 36409 1 144 . 1 . 1 14 14 GLU N N 15 116.357 0.016 . 1 . . . . A 14 GLU N . 36409 1 145 . 1 . 1 15 15 GLN H H 1 7.76 0.008 . 1 . . . . A 15 GLN H . 36409 1 146 . 1 . 1 15 15 GLN HA H 1 3.978 0.006 . 1 . . . . A 15 GLN HA . 36409 1 147 . 1 . 1 15 15 GLN HB2 H 1 2.276 0.007 . 1 . . . . A 15 GLN HB2 . 36409 1 148 . 1 . 1 15 15 GLN HB3 H 1 1.874 0.01 . 1 . . . . A 15 GLN HB3 . 36409 1 149 . 1 . 1 15 15 GLN HG2 H 1 2.182 0.003 . 1 . . . . A 15 GLN HG2 . 36409 1 150 . 1 . 1 15 15 GLN HG3 H 1 2.182 0.003 . 1 . . . . A 15 GLN HG3 . 36409 1 151 . 1 . 1 15 15 GLN C C 13 177.345 0 . 1 . . . . A 15 GLN C . 36409 1 152 . 1 . 1 15 15 GLN CA C 13 57.64 0.168 . 1 . . . . A 15 GLN CA . 36409 1 153 . 1 . 1 15 15 GLN CB C 13 28.637 0.092 . 1 . . . . A 15 GLN CB . 36409 1 154 . 1 . 1 15 15 GLN CG C 13 32.437 0 . 1 . . . . A 15 GLN CG . 36409 1 155 . 1 . 1 15 15 GLN N N 15 117.828 0.025 . 1 . . . . A 15 GLN N . 36409 1 156 . 1 . 1 16 16 LEU H H 1 7.87 0.004 . 1 . . . . A 16 LEU H . 36409 1 157 . 1 . 1 16 16 LEU HA H 1 4.543 0.014 . 1 . . . . A 16 LEU HA . 36409 1 158 . 1 . 1 16 16 LEU HB2 H 1 1.664 0.017 . 1 . . . . A 16 LEU HB2 . 36409 1 159 . 1 . 1 16 16 LEU HB3 H 1 1.723 0.011 . 1 . . . . A 16 LEU HB3 . 36409 1 160 . 1 . 1 16 16 LEU HG H 1 1.384 0 . 1 . . . . A 16 LEU HG . 36409 1 161 . 1 . 1 16 16 LEU HD11 H 1 0.867 0.008 . 1 . . . . A 16 LEU HD11 . 36409 1 162 . 1 . 1 16 16 LEU HD12 H 1 0.867 0.008 . 1 . . . . A 16 LEU HD12 . 36409 1 163 . 1 . 1 16 16 LEU HD13 H 1 0.867 0.008 . 1 . . . . A 16 LEU HD13 . 36409 1 164 . 1 . 1 16 16 LEU HD21 H 1 0.867 0.008 . 1 . . . . A 16 LEU HD21 . 36409 1 165 . 1 . 1 16 16 LEU HD22 H 1 0.867 0.008 . 1 . . . . A 16 LEU HD22 . 36409 1 166 . 1 . 1 16 16 LEU HD23 H 1 0.867 0.008 . 1 . . . . A 16 LEU HD23 . 36409 1 167 . 1 . 1 16 16 LEU C C 13 176.875 0 . 1 . . . . A 16 LEU C . 36409 1 168 . 1 . 1 16 16 LEU CA C 13 54.232 0.063 . 1 . . . . A 16 LEU CA . 36409 1 169 . 1 . 1 16 16 LEU CB C 13 42.006 0.039 . 1 . . . . A 16 LEU CB . 36409 1 170 . 1 . 1 16 16 LEU CG C 13 27.306 0 . 1 . . . . A 16 LEU CG . 36409 1 171 . 1 . 1 16 16 LEU CD1 C 13 22.364 0 . 1 . . . . A 16 LEU CD1 . 36409 1 172 . 1 . 1 16 16 LEU CD2 C 13 22.364 0 . 1 . . . . A 16 LEU CD2 . 36409 1 173 . 1 . 1 16 16 LEU N N 15 113.249 0.019 . 1 . . . . A 16 LEU N . 36409 1 174 . 1 . 1 17 17 GLY H H 1 7.84 0.002 . 1 . . . . A 17 GLY H . 36409 1 175 . 1 . 1 17 17 GLY HA2 H 1 3.998 0.017 . 1 . . . . A 17 GLY HA2 . 36409 1 176 . 1 . 1 17 17 GLY HA3 H 1 3.998 0.017 . 1 . . . . A 17 GLY HA3 . 36409 1 177 . 1 . 1 17 17 GLY C C 13 174.695 0 . 1 . . . . A 17 GLY C . 36409 1 178 . 1 . 1 17 17 GLY CA C 13 47.088 0.012 . 1 . . . . A 17 GLY CA . 36409 1 179 . 1 . 1 17 17 GLY N N 15 110.877 0.029 . 1 . . . . A 17 GLY N . 36409 1 180 . 1 . 1 18 18 LEU H H 1 8.043 0.005 . 1 . . . . A 18 LEU H . 36409 1 181 . 1 . 1 18 18 LEU HA H 1 4.769 0.005 . 1 . . . . A 18 LEU HA . 36409 1 182 . 1 . 1 18 18 LEU HB2 H 1 1.712 0.013 . 1 . . . . A 18 LEU HB2 . 36409 1 183 . 1 . 1 18 18 LEU HB3 H 1 1.287 0.013 . 1 . . . . A 18 LEU HB3 . 36409 1 184 . 1 . 1 18 18 LEU HG H 1 1.536 0 . 1 . . . . A 18 LEU HG . 36409 1 185 . 1 . 1 18 18 LEU HD11 H 1 0.875 0.01 . 1 . . . . A 18 LEU HD11 . 36409 1 186 . 1 . 1 18 18 LEU HD12 H 1 0.875 0.01 . 1 . . . . A 18 LEU HD12 . 36409 1 187 . 1 . 1 18 18 LEU HD13 H 1 0.875 0.01 . 1 . . . . A 18 LEU HD13 . 36409 1 188 . 1 . 1 18 18 LEU HD21 H 1 0.875 0.01 . 1 . . . . A 18 LEU HD21 . 36409 1 189 . 1 . 1 18 18 LEU HD22 H 1 0.875 0.01 . 1 . . . . A 18 LEU HD22 . 36409 1 190 . 1 . 1 18 18 LEU HD23 H 1 0.875 0.01 . 1 . . . . A 18 LEU HD23 . 36409 1 191 . 1 . 1 18 18 LEU C C 13 175.326 0 . 1 . . . . A 18 LEU C . 36409 1 192 . 1 . 1 18 18 LEU CA C 13 52.77 0.037 . 1 . . . . A 18 LEU CA . 36409 1 193 . 1 . 1 18 18 LEU CB C 13 45.53 0.038 . 1 . . . . A 18 LEU CB . 36409 1 194 . 1 . 1 18 18 LEU CG C 13 26.977 0 . 1 . . . . A 18 LEU CG . 36409 1 195 . 1 . 1 18 18 LEU CD1 C 13 22.246 0 . 1 . . . . A 18 LEU CD1 . 36409 1 196 . 1 . 1 18 18 LEU CD2 C 13 22.246 0 . 1 . . . . A 18 LEU CD2 . 36409 1 197 . 1 . 1 18 18 LEU N N 15 119.777 0.021 . 1 . . . . A 18 LEU N . 36409 1 198 . 1 . 1 19 19 LYS H H 1 8.342 0.003 . 1 . . . . A 19 LYS H . 36409 1 199 . 1 . 1 19 19 LYS HA H 1 4.555 0.012 . 1 . . . . A 19 LYS HA . 36409 1 200 . 1 . 1 19 19 LYS HB2 H 1 1.902 0.012 . 1 . . . . A 19 LYS HB2 . 36409 1 201 . 1 . 1 19 19 LYS HB3 H 1 1.596 0.016 . 1 . . . . A 19 LYS HB3 . 36409 1 202 . 1 . 1 19 19 LYS HG2 H 1 1.485 0.002 . 1 . . . . A 19 LYS HG2 . 36409 1 203 . 1 . 1 19 19 LYS HG3 H 1 1.401 0 . 1 . . . . A 19 LYS HG3 . 36409 1 204 . 1 . 1 19 19 LYS HD2 H 1 1.603 0 . 1 . . . . A 19 LYS HD2 . 36409 1 205 . 1 . 1 19 19 LYS HD3 H 1 1.603 0 . 1 . . . . A 19 LYS HD3 . 36409 1 206 . 1 . 1 19 19 LYS HE2 H 1 2.958 0.009 . 1 . . . . A 19 LYS HE2 . 36409 1 207 . 1 . 1 19 19 LYS HE3 H 1 2.958 0.009 . 1 . . . . A 19 LYS HE3 . 36409 1 208 . 1 . 1 19 19 LYS C C 13 178.075 0 . 1 . . . . A 19 LYS C . 36409 1 209 . 1 . 1 19 19 LYS CA C 13 55.159 0.076 . 1 . . . . A 19 LYS CA . 36409 1 210 . 1 . 1 19 19 LYS CB C 13 32.98 0.013 . 1 . . . . A 19 LYS CB . 36409 1 211 . 1 . 1 19 19 LYS CG C 13 24.859 0 . 1 . . . . A 19 LYS CG . 36409 1 212 . 1 . 1 19 19 LYS CD C 13 28.977 0 . 1 . . . . A 19 LYS CD . 36409 1 213 . 1 . 1 19 19 LYS CE C 13 42.111 0 . 1 . . . . A 19 LYS CE . 36409 1 214 . 1 . 1 19 19 LYS N N 15 119.028 0.013 . 1 . . . . A 19 LYS N . 36409 1 215 . 1 . 1 20 20 ALA H H 1 9.077 0.003 . 1 . . . . A 20 ALA H . 36409 1 216 . 1 . 1 20 20 ALA HA H 1 3.758 0.004 . 1 . . . . A 20 ALA HA . 36409 1 217 . 1 . 1 20 20 ALA HB1 H 1 1.359 0.011 . 1 . . . . A 20 ALA HB1 . 36409 1 218 . 1 . 1 20 20 ALA HB2 H 1 1.359 0.011 . 1 . . . . A 20 ALA HB2 . 36409 1 219 . 1 . 1 20 20 ALA HB3 H 1 1.359 0.011 . 1 . . . . A 20 ALA HB3 . 36409 1 220 . 1 . 1 20 20 ALA C C 13 179.483 0 . 1 . . . . A 20 ALA C . 36409 1 221 . 1 . 1 20 20 ALA CA C 13 56.124 0.004 . 1 . . . . A 20 ALA CA . 36409 1 222 . 1 . 1 20 20 ALA CB C 13 18.125 0.018 . 1 . . . . A 20 ALA CB . 36409 1 223 . 1 . 1 20 20 ALA N N 15 127.668 0.031 . 1 . . . . A 20 ALA N . 36409 1 224 . 1 . 1 21 21 GLU H H 1 9.361 0.005 . 1 . . . . A 21 GLU H . 36409 1 225 . 1 . 1 21 21 GLU HA H 1 4.161 0.002 . 1 . . . . A 21 GLU HA . 36409 1 226 . 1 . 1 21 21 GLU HB2 H 1 2.057 0.016 . 1 . . . . A 21 GLU HB2 . 36409 1 227 . 1 . 1 21 21 GLU HB3 H 1 2.057 0.016 . 1 . . . . A 21 GLU HB3 . 36409 1 228 . 1 . 1 21 21 GLU HG2 H 1 2.302 0.003 . 1 . . . . A 21 GLU HG2 . 36409 1 229 . 1 . 1 21 21 GLU HG3 H 1 2.302 0.003 . 1 . . . . A 21 GLU HG3 . 36409 1 230 . 1 . 1 21 21 GLU C C 13 177.08 0 . 1 . . . . A 21 GLU C . 36409 1 231 . 1 . 1 21 21 GLU CA C 13 58.514 0.1 . 1 . . . . A 21 GLU CA . 36409 1 232 . 1 . 1 21 21 GLU CB C 13 28.689 0.094 . 1 . . . . A 21 GLU CB . 36409 1 233 . 1 . 1 21 21 GLU CG C 13 36.415 0 . 1 . . . . A 21 GLU CG . 36409 1 234 . 1 . 1 21 21 GLU N N 15 113.727 0.028 . 1 . . . . A 21 GLU N . 36409 1 235 . 1 . 1 22 22 GLU H H 1 7.806 0.003 . 1 . . . . A 22 GLU H . 36409 1 236 . 1 . 1 22 22 GLU HA H 1 4.369 0.011 . 1 . . . . A 22 GLU HA . 36409 1 237 . 1 . 1 22 22 GLU HB2 H 1 2.149 0.017 . 1 . . . . A 22 GLU HB2 . 36409 1 238 . 1 . 1 22 22 GLU HB3 H 1 2.149 0.017 . 1 . . . . A 22 GLU HB3 . 36409 1 239 . 1 . 1 22 22 GLU HG2 H 1 2.231 0.01 . 1 . . . . A 22 GLU HG2 . 36409 1 240 . 1 . 1 22 22 GLU HG3 H 1 2.312 0.01 . 1 . . . . A 22 GLU HG3 . 36409 1 241 . 1 . 1 22 22 GLU C C 13 176.076 0 . 1 . . . . A 22 GLU C . 36409 1 242 . 1 . 1 22 22 GLU CA C 13 55.607 0.092 . 1 . . . . A 22 GLU CA . 36409 1 243 . 1 . 1 22 22 GLU CB C 13 30.325 0.024 . 1 . . . . A 22 GLU CB . 36409 1 244 . 1 . 1 22 22 GLU CG C 13 36.933 0 . 1 . . . . A 22 GLU CG . 36409 1 245 . 1 . 1 22 22 GLU N N 15 117.284 0.022 . 1 . . . . A 22 GLU N . 36409 1 246 . 1 . 1 23 23 ILE H H 1 7.317 0.002 . 1 . . . . A 23 ILE H . 36409 1 247 . 1 . 1 23 23 ILE HA H 1 3.896 0.014 . 1 . . . . A 23 ILE HA . 36409 1 248 . 1 . 1 23 23 ILE HB H 1 1.948 0.018 . 1 . . . . A 23 ILE HB . 36409 1 249 . 1 . 1 23 23 ILE HG12 H 1 1.166 0 . 1 . . . . A 23 ILE HG12 . 36409 1 250 . 1 . 1 23 23 ILE HG13 H 1 1.166 0 . 1 . . . . A 23 ILE HG13 . 36409 1 251 . 1 . 1 23 23 ILE HG21 H 1 1.105 0 . 1 . . . . A 23 ILE HG21 . 36409 1 252 . 1 . 1 23 23 ILE HG22 H 1 1.105 0 . 1 . . . . A 23 ILE HG22 . 36409 1 253 . 1 . 1 23 23 ILE HG23 H 1 1.105 0 . 1 . . . . A 23 ILE HG23 . 36409 1 254 . 1 . 1 23 23 ILE HD11 H 1 0.847 0 . 1 . . . . A 23 ILE HD11 . 36409 1 255 . 1 . 1 23 23 ILE HD12 H 1 0.847 0 . 1 . . . . A 23 ILE HD12 . 36409 1 256 . 1 . 1 23 23 ILE HD13 H 1 0.847 0 . 1 . . . . A 23 ILE HD13 . 36409 1 257 . 1 . 1 23 23 ILE C C 13 175.123 0 . 1 . . . . A 23 ILE C . 36409 1 258 . 1 . 1 23 23 ILE CA C 13 61.146 0.127 . 1 . . . . A 23 ILE CA . 36409 1 259 . 1 . 1 23 23 ILE CB C 13 37.888 0.241 . 1 . . . . A 23 ILE CB . 36409 1 260 . 1 . 1 23 23 ILE CG1 C 13 26.883 0 . 1 . . . . A 23 ILE CG1 . 36409 1 261 . 1 . 1 23 23 ILE CG2 C 13 19.304 0 . 1 . . . . A 23 ILE CG2 . 36409 1 262 . 1 . 1 23 23 ILE CD1 C 13 13.749 0 . 1 . . . . A 23 ILE CD1 . 36409 1 263 . 1 . 1 23 23 ILE N N 15 120.915 0.011 . 1 . . . . A 23 ILE N . 36409 1 264 . 1 . 1 24 24 LYS H H 1 8.578 0.003 . 1 . . . . A 24 LYS H . 36409 1 265 . 1 . 1 24 24 LYS HA H 1 4.468 0.02 . 1 . . . . A 24 LYS HA . 36409 1 266 . 1 . 1 24 24 LYS HB2 H 1 1.999 0.011 . 1 . . . . A 24 LYS HB2 . 36409 1 267 . 1 . 1 24 24 LYS HB3 H 1 1.663 0.023 . 1 . . . . A 24 LYS HB3 . 36409 1 268 . 1 . 1 24 24 LYS HG2 H 1 1.433 0.022 . 1 . . . . A 24 LYS HG2 . 36409 1 269 . 1 . 1 24 24 LYS HG3 H 1 1.433 0.022 . 1 . . . . A 24 LYS HG3 . 36409 1 270 . 1 . 1 24 24 LYS HD2 H 1 1.681 0 . 1 . . . . A 24 LYS HD2 . 36409 1 271 . 1 . 1 24 24 LYS HD3 H 1 1.681 0 . 1 . . . . A 24 LYS HD3 . 36409 1 272 . 1 . 1 24 24 LYS HE2 H 1 2.991 0 . 1 . . . . A 24 LYS HE2 . 36409 1 273 . 1 . 1 24 24 LYS HE3 H 1 2.991 0 . 1 . . . . A 24 LYS HE3 . 36409 1 274 . 1 . 1 24 24 LYS C C 13 177.448 0 . 1 . . . . A 24 LYS C . 36409 1 275 . 1 . 1 24 24 LYS CA C 13 55.109 0.097 . 1 . . . . A 24 LYS CA . 36409 1 276 . 1 . 1 24 24 LYS CB C 13 32.903 0.031 . 1 . . . . A 24 LYS CB . 36409 1 277 . 1 . 1 24 24 LYS CG C 13 25.117 0 . 1 . . . . A 24 LYS CG . 36409 1 278 . 1 . 1 24 24 LYS CD C 13 28.789 0 . 1 . . . . A 24 LYS CD . 36409 1 279 . 1 . 1 24 24 LYS CE C 13 42.181 0 . 1 . . . . A 24 LYS CE . 36409 1 280 . 1 . 1 24 24 LYS N N 15 128.95 0.019 . 1 . . . . A 24 LYS N . 36409 1 281 . 1 . 1 25 25 ASN H H 1 8.744 0.003 . 1 . . . . A 25 ASN H . 36409 1 282 . 1 . 1 25 25 ASN HA H 1 3.858 0.01 . 1 . . . . A 25 ASN HA . 36409 1 283 . 1 . 1 25 25 ASN HB2 H 1 2.913 0.01 . 1 . . . . A 25 ASN HB2 . 36409 1 284 . 1 . 1 25 25 ASN HB3 H 1 2.665 0.012 . 1 . . . . A 25 ASN HB3 . 36409 1 285 . 1 . 1 25 25 ASN C C 13 175.563 0 . 1 . . . . A 25 ASN C . 36409 1 286 . 1 . 1 25 25 ASN CA C 13 57.289 0.387 . 1 . . . . A 25 ASN CA . 36409 1 287 . 1 . 1 25 25 ASN CB C 13 36.343 0.042 . 1 . . . . A 25 ASN CB . 36409 1 288 . 1 . 1 25 25 ASN N N 15 122.124 0.017 . 1 . . . . A 25 ASN N . 36409 1 289 . 1 . 1 26 26 GLU H H 1 8.981 0.004 . 1 . . . . A 26 GLU H . 36409 1 290 . 1 . 1 26 26 GLU HA H 1 4.213 0.002 . 1 . . . . A 26 GLU HA . 36409 1 291 . 1 . 1 26 26 GLU HB2 H 1 2.048 0.007 . 1 . . . . A 26 GLU HB2 . 36409 1 292 . 1 . 1 26 26 GLU HB3 H 1 1.995 0.003 . 1 . . . . A 26 GLU HB3 . 36409 1 293 . 1 . 1 26 26 GLU HG2 H 1 2.234 0.005 . 1 . . . . A 26 GLU HG2 . 36409 1 294 . 1 . 1 26 26 GLU HG3 H 1 2.234 0.005 . 1 . . . . A 26 GLU HG3 . 36409 1 295 . 1 . 1 26 26 GLU C C 13 176.046 0 . 1 . . . . A 26 GLU C . 36409 1 296 . 1 . 1 26 26 GLU CA C 13 56.876 0.09 . 1 . . . . A 26 GLU CA . 36409 1 297 . 1 . 1 26 26 GLU CB C 13 28.736 0.11 . 1 . . . . A 26 GLU CB . 36409 1 298 . 1 . 1 26 26 GLU CG C 13 35.968 0 . 1 . . . . A 26 GLU CG . 36409 1 299 . 1 . 1 26 26 GLU N N 15 114.257 0.019 . 1 . . . . A 26 GLU N . 36409 1 300 . 1 . 1 27 27 ALA H H 1 7.345 0.004 . 1 . . . . A 27 ALA H . 36409 1 301 . 1 . 1 27 27 ALA HA H 1 4.132 0.007 . 1 . . . . A 27 ALA HA . 36409 1 302 . 1 . 1 27 27 ALA HB1 H 1 1.34 0.013 . 1 . . . . A 27 ALA HB1 . 36409 1 303 . 1 . 1 27 27 ALA HB2 H 1 1.34 0.013 . 1 . . . . A 27 ALA HB2 . 36409 1 304 . 1 . 1 27 27 ALA HB3 H 1 1.34 0.013 . 1 . . . . A 27 ALA HB3 . 36409 1 305 . 1 . 1 27 27 ALA C C 13 176.863 0 . 1 . . . . A 27 ALA C . 36409 1 306 . 1 . 1 27 27 ALA CA C 13 52.783 0.041 . 1 . . . . A 27 ALA CA . 36409 1 307 . 1 . 1 27 27 ALA CB C 13 19.238 0.006 . 1 . . . . A 27 ALA CB . 36409 1 308 . 1 . 1 27 27 ALA N N 15 121.982 0.019 . 1 . . . . A 27 ALA N . 36409 1 309 . 1 . 1 28 28 SER H H 1 9.79 0.005 . 1 . . . . A 28 SER H . 36409 1 310 . 1 . 1 28 28 SER HA H 1 4.791 0 . 1 . . . . A 28 SER HA . 36409 1 311 . 1 . 1 28 28 SER HB2 H 1 3.841 0.008 . 1 . . . . A 28 SER HB2 . 36409 1 312 . 1 . 1 28 28 SER HB3 H 1 3.841 0.008 . 1 . . . . A 28 SER HB3 . 36409 1 313 . 1 . 1 28 28 SER C C 13 177.624 0 . 1 . . . . A 28 SER C . 36409 1 314 . 1 . 1 28 28 SER CA C 13 55.949 0.005 . 1 . . . . A 28 SER CA . 36409 1 315 . 1 . 1 28 28 SER CB C 13 63.194 0.104 . 1 . . . . A 28 SER CB . 36409 1 316 . 1 . 1 28 28 SER N N 15 116.344 0.017 . 1 . . . . A 28 SER N . 36409 1 317 . 1 . 1 29 29 PHE H H 1 7.898 0.003 . 1 . . . . A 29 PHE H . 36409 1 318 . 1 . 1 29 29 PHE HA H 1 4.143 0.006 . 1 . . . . A 29 PHE HA . 36409 1 319 . 1 . 1 29 29 PHE HB2 H 1 2.994 0.024 . 1 . . . . A 29 PHE HB2 . 36409 1 320 . 1 . 1 29 29 PHE HB3 H 1 2.908 0.018 . 1 . . . . A 29 PHE HB3 . 36409 1 321 . 1 . 1 29 29 PHE C C 13 176.477 0 . 1 . . . . A 29 PHE C . 36409 1 322 . 1 . 1 29 29 PHE CA C 13 61.755 0.06 . 1 . . . . A 29 PHE CA . 36409 1 323 . 1 . 1 29 29 PHE CB C 13 38.325 0.01 . 1 . . . . A 29 PHE CB . 36409 1 324 . 1 . 1 29 29 PHE N N 15 126.356 0.02 . 1 . . . . A 29 PHE N . 36409 1 325 . 1 . 1 30 30 MET H H 1 9.109 0.002 . 1 . . . . A 30 MET H . 36409 1 326 . 1 . 1 30 30 MET HA H 1 4.68 0.006 . 1 . . . . A 30 MET HA . 36409 1 327 . 1 . 1 30 30 MET HB2 H 1 2.112 0.016 . 1 . . . . A 30 MET HB2 . 36409 1 328 . 1 . 1 30 30 MET HB3 H 1 1.997 0.006 . 1 . . . . A 30 MET HB3 . 36409 1 329 . 1 . 1 30 30 MET HG2 H 1 2.473 0.004 . 1 . . . . A 30 MET HG2 . 36409 1 330 . 1 . 1 30 30 MET HG3 H 1 2.704 0.005 . 1 . . . . A 30 MET HG3 . 36409 1 331 . 1 . 1 30 30 MET C C 13 178.315 0 . 1 . . . . A 30 MET C . 36409 1 332 . 1 . 1 30 30 MET CA C 13 58.295 0.135 . 1 . . . . A 30 MET CA . 36409 1 333 . 1 . 1 30 30 MET CB C 13 32.945 0.195 . 1 . . . . A 30 MET CB . 36409 1 334 . 1 . 1 30 30 MET N N 15 115.184 0.022 . 1 . . . . A 30 MET N . 36409 1 335 . 1 . 1 31 31 ASP H H 1 8.016 0.002 . 1 . . . . A 31 ASP H . 36409 1 336 . 1 . 1 31 31 ASP HA H 1 4.565 0.011 . 1 . . . . A 31 ASP HA . 36409 1 337 . 1 . 1 31 31 ASP HB2 H 1 2.745 0.01 . 1 . . . . A 31 ASP HB2 . 36409 1 338 . 1 . 1 31 31 ASP HB3 H 1 2.475 0.01 . 1 . . . . A 31 ASP HB3 . 36409 1 339 . 1 . 1 31 31 ASP C C 13 176.797 0 . 1 . . . . A 31 ASP C . 36409 1 340 . 1 . 1 31 31 ASP CA C 13 56.936 0.029 . 1 . . . . A 31 ASP CA . 36409 1 341 . 1 . 1 31 31 ASP CB C 13 40.632 0.048 . 1 . . . . A 31 ASP CB . 36409 1 342 . 1 . 1 31 31 ASP N N 15 116.235 0.008 . 1 . . . . A 31 ASP N . 36409 1 343 . 1 . 1 32 32 ASP H H 1 7.843 0.005 . 1 . . . . A 32 ASP H . 36409 1 344 . 1 . 1 32 32 ASP HA H 1 5.041 0.008 . 1 . . . . A 32 ASP HA . 36409 1 345 . 1 . 1 32 32 ASP HB2 H 1 3.133 0.012 . 1 . . . . A 32 ASP HB2 . 36409 1 346 . 1 . 1 32 32 ASP HB3 H 1 2.744 0.007 . 1 . . . . A 32 ASP HB3 . 36409 1 347 . 1 . 1 32 32 ASP C C 13 177.502 0 . 1 . . . . A 32 ASP C . 36409 1 348 . 1 . 1 32 32 ASP CA C 13 56.139 0.083 . 1 . . . . A 32 ASP CA . 36409 1 349 . 1 . 1 32 32 ASP CB C 13 42.697 0.025 . 1 . . . . A 32 ASP CB . 36409 1 350 . 1 . 1 32 32 ASP N N 15 114.345 0.012 . 1 . . . . A 32 ASP N . 36409 1 351 . 1 . 1 33 33 LEU H H 1 7.25 0.003 . 1 . . . . A 33 LEU H . 36409 1 352 . 1 . 1 33 33 LEU HA H 1 4.574 0.012 . 1 . . . . A 33 LEU HA . 36409 1 353 . 1 . 1 33 33 LEU HB2 H 1 2.291 0.01 . 1 . . . . A 33 LEU HB2 . 36409 1 354 . 1 . 1 33 33 LEU HB3 H 1 1.756 0.013 . 1 . . . . A 33 LEU HB3 . 36409 1 355 . 1 . 1 33 33 LEU HG H 1 1.471 0 . 1 . . . . A 33 LEU HG . 36409 1 356 . 1 . 1 33 33 LEU HD11 H 1 0.698 0 . 1 . . . . A 33 LEU HD11 . 36409 1 357 . 1 . 1 33 33 LEU HD12 H 1 0.698 0 . 1 . . . . A 33 LEU HD12 . 36409 1 358 . 1 . 1 33 33 LEU HD13 H 1 0.698 0 . 1 . . . . A 33 LEU HD13 . 36409 1 359 . 1 . 1 33 33 LEU HD21 H 1 0.698 0 . 1 . . . . A 33 LEU HD21 . 36409 1 360 . 1 . 1 33 33 LEU HD22 H 1 0.698 0 . 1 . . . . A 33 LEU HD22 . 36409 1 361 . 1 . 1 33 33 LEU HD23 H 1 0.698 0 . 1 . . . . A 33 LEU HD23 . 36409 1 362 . 1 . 1 33 33 LEU C C 13 177.063 0 . 1 . . . . A 33 LEU C . 36409 1 363 . 1 . 1 33 33 LEU CA C 13 54.596 0.016 . 1 . . . . A 33 LEU CA . 36409 1 364 . 1 . 1 33 33 LEU CB C 13 41.9 0.051 . 1 . . . . A 33 LEU CB . 36409 1 365 . 1 . 1 33 33 LEU CG C 13 26.129 0 . 1 . . . . A 33 LEU CG . 36409 1 366 . 1 . 1 33 33 LEU CD1 C 13 21.752 0 . 1 . . . . A 33 LEU CD1 . 36409 1 367 . 1 . 1 33 33 LEU CD2 C 13 21.752 0 . 1 . . . . A 33 LEU CD2 . 36409 1 368 . 1 . 1 33 33 LEU N N 15 115.178 0.021 . 1 . . . . A 33 LEU N . 36409 1 369 . 1 . 1 34 34 GLY H H 1 7.553 0.005 . 1 . . . . A 34 GLY H . 36409 1 370 . 1 . 1 34 34 GLY HA2 H 1 3.959 0.019 . 1 . . . . A 34 GLY HA2 . 36409 1 371 . 1 . 1 34 34 GLY HA3 H 1 3.959 0.019 . 1 . . . . A 34 GLY HA3 . 36409 1 372 . 1 . 1 34 34 GLY C C 13 174.766 0 . 1 . . . . A 34 GLY C . 36409 1 373 . 1 . 1 34 34 GLY CA C 13 46.496 0.033 . 1 . . . . A 34 GLY CA . 36409 1 374 . 1 . 1 34 34 GLY N N 15 106.241 0.026 . 1 . . . . A 34 GLY N . 36409 1 375 . 1 . 1 35 35 ALA H H 1 8.336 0.003 . 1 . . . . A 35 ALA H . 36409 1 376 . 1 . 1 35 35 ALA HA H 1 4.552 0.012 . 1 . . . . A 35 ALA HA . 36409 1 377 . 1 . 1 35 35 ALA HB1 H 1 1.192 0.012 . 1 . . . . A 35 ALA HB1 . 36409 1 378 . 1 . 1 35 35 ALA HB2 H 1 1.192 0.012 . 1 . . . . A 35 ALA HB2 . 36409 1 379 . 1 . 1 35 35 ALA HB3 H 1 1.192 0.012 . 1 . . . . A 35 ALA HB3 . 36409 1 380 . 1 . 1 35 35 ALA C C 13 176.847 0 . 1 . . . . A 35 ALA C . 36409 1 381 . 1 . 1 35 35 ALA CA C 13 51.757 0.037 . 1 . . . . A 35 ALA CA . 36409 1 382 . 1 . 1 35 35 ALA CB C 13 20.084 0.035 . 1 . . . . A 35 ALA CB . 36409 1 383 . 1 . 1 35 35 ALA N N 15 122.428 0.016 . 1 . . . . A 35 ALA N . 36409 1 384 . 1 . 1 36 36 ASP H H 1 9.422 0.004 . 1 . . . . A 36 ASP H . 36409 1 385 . 1 . 1 36 36 ASP HA H 1 4.959 0.016 . 1 . . . . A 36 ASP HA . 36409 1 386 . 1 . 1 36 36 ASP HB2 H 1 3.219 0.009 . 1 . . . . A 36 ASP HB2 . 36409 1 387 . 1 . 1 36 36 ASP HB3 H 1 2.752 0.006 . 1 . . . . A 36 ASP HB3 . 36409 1 388 . 1 . 1 36 36 ASP C C 13 176.988 0 . 1 . . . . A 36 ASP C . 36409 1 389 . 1 . 1 36 36 ASP CA C 13 51.601 0.027 . 1 . . . . A 36 ASP CA . 36409 1 390 . 1 . 1 36 36 ASP CB C 13 42.438 0.006 . 1 . . . . A 36 ASP CB . 36409 1 391 . 1 . 1 36 36 ASP N N 15 121.447 0.017 . 1 . . . . A 36 ASP N . 36409 1 392 . 1 . 1 37 37 SER H H 1 8.755 0.003 . 1 . . . . A 37 SER H . 36409 1 393 . 1 . 1 37 37 SER HA H 1 4.119 0.008 . 1 . . . . A 37 SER HA . 36409 1 394 . 1 . 1 37 37 SER HB2 H 1 4.145 0 . 1 . . . . A 37 SER HB2 . 36409 1 395 . 1 . 1 37 37 SER HB3 H 1 4.092 0 . 1 . . . . A 37 SER HB3 . 36409 1 396 . 1 . 1 37 37 SER C C 13 176.15 0 . 1 . . . . A 37 SER C . 36409 1 397 . 1 . 1 37 37 SER CA C 13 60.814 0.073 . 1 . . . . A 37 SER CA . 36409 1 398 . 1 . 1 37 37 SER CB C 13 65.463 0.098 . 1 . . . . A 37 SER CB . 36409 1 399 . 1 . 1 37 37 SER N N 15 112.026 0.013 . 1 . . . . A 37 SER N . 36409 1 400 . 1 . 1 38 38 LEU H H 1 7.872 0.003 . 1 . . . . A 38 LEU H . 36409 1 401 . 1 . 1 38 38 LEU HA H 1 4.185 0.004 . 1 . . . . A 38 LEU HA . 36409 1 402 . 1 . 1 38 38 LEU HB2 H 1 1.707 0.022 . 1 . . . . A 38 LEU HB2 . 36409 1 403 . 1 . 1 38 38 LEU HB3 H 1 1.707 0.022 . 1 . . . . A 38 LEU HB3 . 36409 1 404 . 1 . 1 38 38 LEU HG H 1 1.417 0 . 1 . . . . A 38 LEU HG . 36409 1 405 . 1 . 1 38 38 LEU HD11 H 1 0.901 0.014 . 1 . . . . A 38 LEU HD11 . 36409 1 406 . 1 . 1 38 38 LEU HD12 H 1 0.901 0.014 . 1 . . . . A 38 LEU HD12 . 36409 1 407 . 1 . 1 38 38 LEU HD13 H 1 0.901 0.014 . 1 . . . . A 38 LEU HD13 . 36409 1 408 . 1 . 1 38 38 LEU HD21 H 1 0.901 0.014 . 1 . . . . A 38 LEU HD21 . 36409 1 409 . 1 . 1 38 38 LEU HD22 H 1 0.901 0.014 . 1 . . . . A 38 LEU HD22 . 36409 1 410 . 1 . 1 38 38 LEU HD23 H 1 0.901 0.014 . 1 . . . . A 38 LEU HD23 . 36409 1 411 . 1 . 1 38 38 LEU C C 13 178.949 0 . 1 . . . . A 38 LEU C . 36409 1 412 . 1 . 1 38 38 LEU CA C 13 57.8 0.085 . 1 . . . . A 38 LEU CA . 36409 1 413 . 1 . 1 38 38 LEU CB C 13 40.743 0.043 . 1 . . . . A 38 LEU CB . 36409 1 414 . 1 . 1 38 38 LEU CG C 13 27.094 0 . 1 . . . . A 38 LEU CG . 36409 1 415 . 1 . 1 38 38 LEU CD1 C 13 24.152 0 . 1 . . . . A 38 LEU CD1 . 36409 1 416 . 1 . 1 38 38 LEU CD2 C 13 24.152 0 . 1 . . . . A 38 LEU CD2 . 36409 1 417 . 1 . 1 38 38 LEU N N 15 124.167 0.024 . 1 . . . . A 38 LEU N . 36409 1 418 . 1 . 1 39 39 ASP H H 1 8.235 0.002 . 1 . . . . A 39 ASP H . 36409 1 419 . 1 . 1 39 39 ASP HA H 1 4.318 0.01 . 1 . . . . A 39 ASP HA . 36409 1 420 . 1 . 1 39 39 ASP HB2 H 1 3.128 0.002 . 1 . . . . A 39 ASP HB2 . 36409 1 421 . 1 . 1 39 39 ASP HB3 H 1 2.182 0.003 . 1 . . . . A 39 ASP HB3 . 36409 1 422 . 1 . 1 39 39 ASP C C 13 178.386 0 . 1 . . . . A 39 ASP C . 36409 1 423 . 1 . 1 39 39 ASP CA C 13 57.761 0.092 . 1 . . . . A 39 ASP CA . 36409 1 424 . 1 . 1 39 39 ASP CB C 13 41.591 0.053 . 1 . . . . A 39 ASP CB . 36409 1 425 . 1 . 1 39 39 ASP N N 15 119.376 0.017 . 1 . . . . A 39 ASP N . 36409 1 426 . 1 . 1 40 40 LEU H H 1 7.555 0.002 . 1 . . . . A 40 LEU H . 36409 1 427 . 1 . 1 40 40 LEU HA H 1 3.757 0.002 . 1 . . . . A 40 LEU HA . 36409 1 428 . 1 . 1 40 40 LEU HB2 H 1 1.698 0.013 . 1 . . . . A 40 LEU HB2 . 36409 1 429 . 1 . 1 40 40 LEU HB3 H 1 1.586 0.008 . 1 . . . . A 40 LEU HB3 . 36409 1 430 . 1 . 1 40 40 LEU HG H 1 1.281 0 . 1 . . . . A 40 LEU HG . 36409 1 431 . 1 . 1 40 40 LEU HD11 H 1 0.824 0.006 . 1 . . . . A 40 LEU HD11 . 36409 1 432 . 1 . 1 40 40 LEU HD12 H 1 0.824 0.006 . 1 . . . . A 40 LEU HD12 . 36409 1 433 . 1 . 1 40 40 LEU HD13 H 1 0.824 0.006 . 1 . . . . A 40 LEU HD13 . 36409 1 434 . 1 . 1 40 40 LEU HD21 H 1 0.617 0.001 . 1 . . . . A 40 LEU HD21 . 36409 1 435 . 1 . 1 40 40 LEU HD22 H 1 0.617 0.001 . 1 . . . . A 40 LEU HD22 . 36409 1 436 . 1 . 1 40 40 LEU HD23 H 1 0.617 0.001 . 1 . . . . A 40 LEU HD23 . 36409 1 437 . 1 . 1 40 40 LEU C C 13 178.484 0 . 1 . . . . A 40 LEU C . 36409 1 438 . 1 . 1 40 40 LEU CA C 13 57.737 0.077 . 1 . . . . A 40 LEU CA . 36409 1 439 . 1 . 1 40 40 LEU CB C 13 40.741 0.067 . 1 . . . . A 40 LEU CB . 36409 1 440 . 1 . 1 40 40 LEU CG C 13 27.024 0 . 1 . . . . A 40 LEU CG . 36409 1 441 . 1 . 1 40 40 LEU CD1 C 13 24.741 0 . 1 . . . . A 40 LEU CD1 . 36409 1 442 . 1 . 1 40 40 LEU CD2 C 13 22.928 0 . 1 . . . . A 40 LEU CD2 . 36409 1 443 . 1 . 1 40 40 LEU N N 15 117.27 0.023 . 1 . . . . A 40 LEU N . 36409 1 444 . 1 . 1 41 41 VAL H H 1 7.284 0.003 . 1 . . . . A 41 VAL H . 36409 1 445 . 1 . 1 41 41 VAL HA H 1 3.609 0.016 . 1 . . . . A 41 VAL HA . 36409 1 446 . 1 . 1 41 41 VAL HB H 1 2.24 0.012 . 1 . . . . A 41 VAL HB . 36409 1 447 . 1 . 1 41 41 VAL HG11 H 1 1.04 0 . 1 . . . . A 41 VAL HG11 . 36409 1 448 . 1 . 1 41 41 VAL HG12 H 1 1.04 0 . 1 . . . . A 41 VAL HG12 . 36409 1 449 . 1 . 1 41 41 VAL HG13 H 1 1.04 0 . 1 . . . . A 41 VAL HG13 . 36409 1 450 . 1 . 1 41 41 VAL HG21 H 1 0.959 0 . 1 . . . . A 41 VAL HG21 . 36409 1 451 . 1 . 1 41 41 VAL HG22 H 1 0.959 0 . 1 . . . . A 41 VAL HG22 . 36409 1 452 . 1 . 1 41 41 VAL HG23 H 1 0.959 0 . 1 . . . . A 41 VAL HG23 . 36409 1 453 . 1 . 1 41 41 VAL C C 13 179.038 0 . 1 . . . . A 41 VAL C . 36409 1 454 . 1 . 1 41 41 VAL CA C 13 66.405 0.059 . 1 . . . . A 41 VAL CA . 36409 1 455 . 1 . 1 41 41 VAL CB C 13 32.104 0.204 . 1 . . . . A 41 VAL CB . 36409 1 456 . 1 . 1 41 41 VAL CG1 C 13 22.693 0 . 1 . . . . A 41 VAL CG1 . 36409 1 457 . 1 . 1 41 41 VAL CG2 C 13 21.14 0 . 1 . . . . A 41 VAL CG2 . 36409 1 458 . 1 . 1 41 41 VAL N N 15 119.119 0.013 . 1 . . . . A 41 VAL N . 36409 1 459 . 1 . 1 42 42 GLU H H 1 7.879 0.004 . 1 . . . . A 42 GLU H . 36409 1 460 . 1 . 1 42 42 GLU HA H 1 3.921 0.016 . 1 . . . . A 42 GLU HA . 36409 1 461 . 1 . 1 42 42 GLU HB2 H 1 2.196 0.001 . 1 . . . . A 42 GLU HB2 . 36409 1 462 . 1 . 1 42 42 GLU HB3 H 1 1.99 0.012 . 1 . . . . A 42 GLU HB3 . 36409 1 463 . 1 . 1 42 42 GLU HG2 H 1 2.457 0.001 . 1 . . . . A 42 GLU HG2 . 36409 1 464 . 1 . 1 42 42 GLU HG3 H 1 2.457 0.001 . 1 . . . . A 42 GLU HG3 . 36409 1 465 . 1 . 1 42 42 GLU C C 13 179.487 0 . 1 . . . . A 42 GLU C . 36409 1 466 . 1 . 1 42 42 GLU CA C 13 59.455 0.069 . 1 . . . . A 42 GLU CA . 36409 1 467 . 1 . 1 42 42 GLU CB C 13 28.615 0.096 . 1 . . . . A 42 GLU CB . 36409 1 468 . 1 . 1 42 42 GLU CG C 13 36.462 0 . 1 . . . . A 42 GLU CG . 36409 1 469 . 1 . 1 42 42 GLU N N 15 119.294 0.024 . 1 . . . . A 42 GLU N . 36409 1 470 . 1 . 1 43 43 LEU H H 1 8.539 0.003 . 1 . . . . A 43 LEU H . 36409 1 471 . 1 . 1 43 43 LEU HA H 1 3.638 0.011 . 1 . . . . A 43 LEU HA . 36409 1 472 . 1 . 1 43 43 LEU HB2 H 1 1.415 0.013 . 1 . . . . A 43 LEU HB2 . 36409 1 473 . 1 . 1 43 43 LEU HB3 H 1 0.929 0.013 . 1 . . . . A 43 LEU HB3 . 36409 1 474 . 1 . 1 43 43 LEU HG H 1 1.505 0 . 1 . . . . A 43 LEU HG . 36409 1 475 . 1 . 1 43 43 LEU HD11 H 1 0.267 0 . 1 . . . . A 43 LEU HD11 . 36409 1 476 . 1 . 1 43 43 LEU HD12 H 1 0.267 0 . 1 . . . . A 43 LEU HD12 . 36409 1 477 . 1 . 1 43 43 LEU HD13 H 1 0.267 0 . 1 . . . . A 43 LEU HD13 . 36409 1 478 . 1 . 1 43 43 LEU HD21 H 1 0.334 0 . 1 . . . . A 43 LEU HD21 . 36409 1 479 . 1 . 1 43 43 LEU HD22 H 1 0.334 0 . 1 . . . . A 43 LEU HD22 . 36409 1 480 . 1 . 1 43 43 LEU HD23 H 1 0.334 0 . 1 . . . . A 43 LEU HD23 . 36409 1 481 . 1 . 1 43 43 LEU C C 13 177.471 0 . 1 . . . . A 43 LEU C . 36409 1 482 . 1 . 1 43 43 LEU CA C 13 57.437 0.009 . 1 . . . . A 43 LEU CA . 36409 1 483 . 1 . 1 43 43 LEU CB C 13 41.797 0.041 . 1 . . . . A 43 LEU CB . 36409 1 484 . 1 . 1 43 43 LEU CG C 13 26.506 0 . 1 . . . . A 43 LEU CG . 36409 1 485 . 1 . 1 43 43 LEU CD1 C 13 24.647 0 . 1 . . . . A 43 LEU CD1 . 36409 1 486 . 1 . 1 43 43 LEU CD2 C 13 24.647 0 . 1 . . . . A 43 LEU CD2 . 36409 1 487 . 1 . 1 43 43 LEU N N 15 122.118 0.027 . 1 . . . . A 43 LEU N . 36409 1 488 . 1 . 1 44 44 VAL H H 1 7.791 0.004 . 1 . . . . A 44 VAL H . 36409 1 489 . 1 . 1 44 44 VAL HA H 1 3.293 0.003 . 1 . . . . A 44 VAL HA . 36409 1 490 . 1 . 1 44 44 VAL HB H 1 2.12 0.016 . 1 . . . . A 44 VAL HB . 36409 1 491 . 1 . 1 44 44 VAL HG11 H 1 0.981 0.001 . 1 . . . . A 44 VAL HG11 . 36409 1 492 . 1 . 1 44 44 VAL HG12 H 1 0.981 0.001 . 1 . . . . A 44 VAL HG12 . 36409 1 493 . 1 . 1 44 44 VAL HG13 H 1 0.981 0.001 . 1 . . . . A 44 VAL HG13 . 36409 1 494 . 1 . 1 44 44 VAL HG21 H 1 0.93 0.004 . 1 . . . . A 44 VAL HG21 . 36409 1 495 . 1 . 1 44 44 VAL HG22 H 1 0.93 0.004 . 1 . . . . A 44 VAL HG22 . 36409 1 496 . 1 . 1 44 44 VAL HG23 H 1 0.93 0.004 . 1 . . . . A 44 VAL HG23 . 36409 1 497 . 1 . 1 44 44 VAL C C 13 178.187 0 . 1 . . . . A 44 VAL C . 36409 1 498 . 1 . 1 44 44 VAL CA C 13 67.829 0.062 . 1 . . . . A 44 VAL CA . 36409 1 499 . 1 . 1 44 44 VAL CB C 13 31.357 0.216 . 1 . . . . A 44 VAL CB . 36409 1 500 . 1 . 1 44 44 VAL CG1 C 13 23.611 0 . 1 . . . . A 44 VAL CG1 . 36409 1 501 . 1 . 1 44 44 VAL CG2 C 13 21.822 0 . 1 . . . . A 44 VAL CG2 . 36409 1 502 . 1 . 1 44 44 VAL N N 15 118.247 0.03 . 1 . . . . A 44 VAL N . 36409 1 503 . 1 . 1 45 45 MET H H 1 7.534 0.006 . 1 . . . . A 45 MET H . 36409 1 504 . 1 . 1 45 45 MET HA H 1 4.34 0.013 . 1 . . . . A 45 MET HA . 36409 1 505 . 1 . 1 45 45 MET HB2 H 1 2.164 0.003 . 1 . . . . A 45 MET HB2 . 36409 1 506 . 1 . 1 45 45 MET HB3 H 1 2.107 0.019 . 1 . . . . A 45 MET HB3 . 36409 1 507 . 1 . 1 45 45 MET HG2 H 1 2.563 0.006 . 1 . . . . A 45 MET HG2 . 36409 1 508 . 1 . 1 45 45 MET HG3 H 1 2.757 0.003 . 1 . . . . A 45 MET HG3 . 36409 1 509 . 1 . 1 45 45 MET C C 13 179.04 0 . 1 . . . . A 45 MET C . 36409 1 510 . 1 . 1 45 45 MET CA C 13 59.237 0.17 . 1 . . . . A 45 MET CA . 36409 1 511 . 1 . 1 45 45 MET CB C 13 32.594 0.248 . 1 . . . . A 45 MET CB . 36409 1 512 . 1 . 1 45 45 MET N N 15 117.43 0.019 . 1 . . . . A 45 MET N . 36409 1 513 . 1 . 1 46 46 SER H H 1 8.165 0.003 . 1 . . . . A 46 SER H . 36409 1 514 . 1 . 1 46 46 SER HA H 1 4.316 0.015 . 1 . . . . A 46 SER HA . 36409 1 515 . 1 . 1 46 46 SER HB2 H 1 3.983 0.005 . 1 . . . . A 46 SER HB2 . 36409 1 516 . 1 . 1 46 46 SER HB3 H 1 3.877 0.001 . 1 . . . . A 46 SER HB3 . 36409 1 517 . 1 . 1 46 46 SER C C 13 176.841 0 . 1 . . . . A 46 SER C . 36409 1 518 . 1 . 1 46 46 SER CA C 13 62.163 0.134 . 1 . . . . A 46 SER CA . 36409 1 519 . 1 . 1 46 46 SER N N 15 117.432 0.028 . 1 . . . . A 46 SER N . 36409 1 520 . 1 . 1 47 47 PHE H H 1 8.566 0.009 . 1 . . . . A 47 PHE H . 36409 1 521 . 1 . 1 47 47 PHE HA H 1 4.889 0.02 . 1 . . . . A 47 PHE HA . 36409 1 522 . 1 . 1 47 47 PHE HB2 H 1 3.559 0.02 . 1 . . . . A 47 PHE HB2 . 36409 1 523 . 1 . 1 47 47 PHE HB3 H 1 3.236 0.006 . 1 . . . . A 47 PHE HB3 . 36409 1 524 . 1 . 1 47 47 PHE C C 13 178.847 0 . 1 . . . . A 47 PHE C . 36409 1 525 . 1 . 1 47 47 PHE CA C 13 57.45 0.038 . 1 . . . . A 47 PHE CA . 36409 1 526 . 1 . 1 47 47 PHE CB C 13 37.728 0.042 . 1 . . . . A 47 PHE CB . 36409 1 527 . 1 . 1 47 47 PHE N N 15 121.446 0.023 . 1 . . . . A 47 PHE N . 36409 1 528 . 1 . 1 48 48 GLU H H 1 8.563 0.004 . 1 . . . . A 48 GLU H . 36409 1 529 . 1 . 1 48 48 GLU HA H 1 4.133 0.007 . 1 . . . . A 48 GLU HA . 36409 1 530 . 1 . 1 48 48 GLU HB2 H 1 2.518 0.013 . 1 . . . . A 48 GLU HB2 . 36409 1 531 . 1 . 1 48 48 GLU HB3 H 1 2.216 0.006 . 1 . . . . A 48 GLU HB3 . 36409 1 532 . 1 . 1 48 48 GLU HG2 H 1 2.866 0 . 1 . . . . A 48 GLU HG2 . 36409 1 533 . 1 . 1 48 48 GLU HG3 H 1 2.897 0 . 1 . . . . A 48 GLU HG3 . 36409 1 534 . 1 . 1 48 48 GLU C C 13 179.654 0 . 1 . . . . A 48 GLU C . 36409 1 535 . 1 . 1 48 48 GLU CA C 13 60.296 0.144 . 1 . . . . A 48 GLU CA . 36409 1 536 . 1 . 1 48 48 GLU CB C 13 29.926 0.036 . 1 . . . . A 48 GLU CB . 36409 1 537 . 1 . 1 48 48 GLU CG C 13 37.215 0 . 1 . . . . A 48 GLU CG . 36409 1 538 . 1 . 1 48 48 GLU N N 15 118.359 0.012 . 1 . . . . A 48 GLU N . 36409 1 539 . 1 . 1 49 49 ASN H H 1 8.12 0.004 . 1 . . . . A 49 ASN H . 36409 1 540 . 1 . 1 49 49 ASN HA H 1 4.574 0.013 . 1 . . . . A 49 ASN HA . 36409 1 541 . 1 . 1 49 49 ASN HB2 H 1 2.911 0.01 . 1 . . . . A 49 ASN HB2 . 36409 1 542 . 1 . 1 49 49 ASN HB3 H 1 2.911 0.01 . 1 . . . . A 49 ASN HB3 . 36409 1 543 . 1 . 1 49 49 ASN C C 13 177.709 0 . 1 . . . . A 49 ASN C . 36409 1 544 . 1 . 1 49 49 ASN CA C 13 55.775 0.063 . 1 . . . . A 49 ASN CA . 36409 1 545 . 1 . 1 49 49 ASN CB C 13 39.163 0.05 . 1 . . . . A 49 ASN CB . 36409 1 546 . 1 . 1 49 49 ASN N N 15 115.639 0.024 . 1 . . . . A 49 ASN N . 36409 1 547 . 1 . 1 50 50 ASP H H 1 9.015 0.005 . 1 . . . . A 50 ASP H . 36409 1 548 . 1 . 1 50 50 ASP HA H 1 4.28 0.006 . 1 . . . . A 50 ASP HA . 36409 1 549 . 1 . 1 50 50 ASP HB2 H 1 2.528 0.015 . 1 . . . . A 50 ASP HB2 . 36409 1 550 . 1 . 1 50 50 ASP HB3 H 1 1.99 0.011 . 1 . . . . A 50 ASP HB3 . 36409 1 551 . 1 . 1 50 50 ASP C C 13 177.815 0 . 1 . . . . A 50 ASP C . 36409 1 552 . 1 . 1 50 50 ASP CA C 13 56.689 0.031 . 1 . . . . A 50 ASP CA . 36409 1 553 . 1 . 1 50 50 ASP CB C 13 39.922 0.044 . 1 . . . . A 50 ASP CB . 36409 1 554 . 1 . 1 50 50 ASP N N 15 119.795 0.018 . 1 . . . . A 50 ASP N . 36409 1 555 . 1 . 1 51 51 PHE H H 1 7.971 0.004 . 1 . . . . A 51 PHE H . 36409 1 556 . 1 . 1 51 51 PHE HA H 1 4.643 0.006 . 1 . . . . A 51 PHE HA . 36409 1 557 . 1 . 1 51 51 PHE HB2 H 1 3.327 0.006 . 1 . . . . A 51 PHE HB2 . 36409 1 558 . 1 . 1 51 51 PHE HB3 H 1 2.815 0.005 . 1 . . . . A 51 PHE HB3 . 36409 1 559 . 1 . 1 51 51 PHE C C 13 174.298 0 . 1 . . . . A 51 PHE C . 36409 1 560 . 1 . 1 51 51 PHE CA C 13 57.963 0.091 . 1 . . . . A 51 PHE CA . 36409 1 561 . 1 . 1 51 51 PHE CB C 13 39.291 0.057 . 1 . . . . A 51 PHE CB . 36409 1 562 . 1 . 1 51 51 PHE N N 15 112.975 0.008 . 1 . . . . A 51 PHE N . 36409 1 563 . 1 . 1 52 52 ASP H H 1 7.826 0.004 . 1 . . . . A 52 ASP H . 36409 1 564 . 1 . 1 52 52 ASP HA H 1 4.548 0.014 . 1 . . . . A 52 ASP HA . 36409 1 565 . 1 . 1 52 52 ASP HB2 H 1 3.165 0.006 . 1 . . . . A 52 ASP HB2 . 36409 1 566 . 1 . 1 52 52 ASP HB3 H 1 2.59 0.016 . 1 . . . . A 52 ASP HB3 . 36409 1 567 . 1 . 1 52 52 ASP C C 13 174.885 0 . 1 . . . . A 52 ASP C . 36409 1 568 . 1 . 1 52 52 ASP CA C 13 55.308 0.097 . 1 . . . . A 52 ASP CA . 36409 1 569 . 1 . 1 52 52 ASP CB C 13 38.832 0.045 . 1 . . . . A 52 ASP CB . 36409 1 570 . 1 . 1 52 52 ASP N N 15 120.461 0.017 . 1 . . . . A 52 ASP N . 36409 1 571 . 1 . 1 53 53 ILE H H 1 7.762 0.007 . 1 . . . . A 53 ILE H . 36409 1 572 . 1 . 1 53 53 ILE HA H 1 4.896 0.015 . 1 . . . . A 53 ILE HA . 36409 1 573 . 1 . 1 53 53 ILE HB H 1 1.882 0.013 . 1 . . . . A 53 ILE HB . 36409 1 574 . 1 . 1 53 53 ILE HG12 H 1 1.265 0 . 1 . . . . A 53 ILE HG12 . 36409 1 575 . 1 . 1 53 53 ILE HG13 H 1 1.176 0 . 1 . . . . A 53 ILE HG13 . 36409 1 576 . 1 . 1 53 53 ILE HG21 H 1 0.922 0 . 1 . . . . A 53 ILE HG21 . 36409 1 577 . 1 . 1 53 53 ILE HG22 H 1 0.922 0 . 1 . . . . A 53 ILE HG22 . 36409 1 578 . 1 . 1 53 53 ILE HG23 H 1 0.922 0 . 1 . . . . A 53 ILE HG23 . 36409 1 579 . 1 . 1 53 53 ILE HD11 H 1 0.837 0 . 1 . . . . A 53 ILE HD11 . 36409 1 580 . 1 . 1 53 53 ILE HD12 H 1 0.837 0 . 1 . . . . A 53 ILE HD12 . 36409 1 581 . 1 . 1 53 53 ILE HD13 H 1 0.837 0 . 1 . . . . A 53 ILE HD13 . 36409 1 582 . 1 . 1 53 53 ILE C C 13 174.915 0 . 1 . . . . A 53 ILE C . 36409 1 583 . 1 . 1 53 53 ILE CA C 13 58.904 0.153 . 1 . . . . A 53 ILE CA . 36409 1 584 . 1 . 1 53 53 ILE CB C 13 42.565 0.082 . 1 . . . . A 53 ILE CB . 36409 1 585 . 1 . 1 53 53 ILE CG1 C 13 25.188 0 . 1 . . . . A 53 ILE CG1 . 36409 1 586 . 1 . 1 53 53 ILE CG2 C 13 17.397 0 . 1 . . . . A 53 ILE CG2 . 36409 1 587 . 1 . 1 53 53 ILE CD1 C 13 14.338 0 . 1 . . . . A 53 ILE CD1 . 36409 1 588 . 1 . 1 53 53 ILE N N 15 109.143 0.022 . 1 . . . . A 53 ILE N . 36409 1 589 . 1 . 1 54 54 THR H H 1 8.337 0.006 . 1 . . . . A 54 THR H . 36409 1 590 . 1 . 1 54 54 THR HA H 1 4.641 0 . 1 . . . . A 54 THR HA . 36409 1 591 . 1 . 1 54 54 THR HB H 1 3.92 0 . 1 . . . . A 54 THR HB . 36409 1 592 . 1 . 1 54 54 THR HG21 H 1 1.127 0 . 1 . . . . A 54 THR HG21 . 36409 1 593 . 1 . 1 54 54 THR HG22 H 1 1.127 0 . 1 . . . . A 54 THR HG22 . 36409 1 594 . 1 . 1 54 54 THR HG23 H 1 1.127 0 . 1 . . . . A 54 THR HG23 . 36409 1 595 . 1 . 1 54 54 THR C C 13 173.851 0 . 1 . . . . A 54 THR C . 36409 1 596 . 1 . 1 54 54 THR CA C 13 61.322 0 . 1 . . . . A 54 THR CA . 36409 1 597 . 1 . 1 54 54 THR CB C 13 70.699 0 . 1 . . . . A 54 THR CB . 36409 1 598 . 1 . 1 54 54 THR CG2 C 13 21.618 0 . 1 . . . . A 54 THR CG2 . 36409 1 599 . 1 . 1 54 54 THR N N 15 115.429 0.022 . 1 . . . . A 54 THR N . 36409 1 600 . 1 . 1 55 55 ILE H H 1 10.032 0 . 1 . . . . A 55 ILE H . 36409 1 601 . 1 . 1 55 55 ILE HA H 1 4.639 0 . 1 . . . . A 55 ILE HA . 36409 1 602 . 1 . 1 55 55 ILE HB H 1 1.871 0 . 1 . . . . A 55 ILE HB . 36409 1 603 . 1 . 1 55 55 ILE CA C 13 58.524 0 . 1 . . . . A 55 ILE CA . 36409 1 604 . 1 . 1 55 55 ILE CB C 13 37.841 0 . 1 . . . . A 55 ILE CB . 36409 1 605 . 1 . 1 55 55 ILE N N 15 128.348 0.032 . 1 . . . . A 55 ILE N . 36409 1 606 . 1 . 1 56 56 PRO HA H 1 4.533 0.017 . 1 . . . . A 56 PRO HA . 36409 1 607 . 1 . 1 56 56 PRO HB2 H 1 2.409 0.008 . 1 . . . . A 56 PRO HB2 . 36409 1 608 . 1 . 1 56 56 PRO HB3 H 1 2.026 0.004 . 1 . . . . A 56 PRO HB3 . 36409 1 609 . 1 . 1 56 56 PRO HG2 H 1 1.999 0 . 1 . . . . A 56 PRO HG2 . 36409 1 610 . 1 . 1 56 56 PRO HG3 H 1 1.911 0 . 1 . . . . A 56 PRO HG3 . 36409 1 611 . 1 . 1 56 56 PRO HD2 H 1 4.01 0 . 1 . . . . A 56 PRO HD2 . 36409 1 612 . 1 . 1 56 56 PRO HD3 H 1 3.821 0 . 1 . . . . A 56 PRO HD3 . 36409 1 613 . 1 . 1 56 56 PRO C C 13 177.496 0 . 1 . . . . A 56 PRO C . 36409 1 614 . 1 . 1 56 56 PRO CA C 13 62.506 0.107 . 1 . . . . A 56 PRO CA . 36409 1 615 . 1 . 1 56 56 PRO CB C 13 32.732 0.035 . 1 . . . . A 56 PRO CB . 36409 1 616 . 1 . 1 56 56 PRO CG C 13 27.589 0 . 1 . . . . A 56 PRO CG . 36409 1 617 . 1 . 1 56 56 PRO CD C 13 51.196 0 . 1 . . . . A 56 PRO CD . 36409 1 618 . 1 . 1 57 57 ASP H H 1 8.842 0.002 . 1 . . . . A 57 ASP H . 36409 1 619 . 1 . 1 57 57 ASP HA H 1 4.308 0.009 . 1 . . . . A 57 ASP HA . 36409 1 620 . 1 . 1 57 57 ASP HB2 H 1 2.681 0.012 . 1 . . . . A 57 ASP HB2 . 36409 1 621 . 1 . 1 57 57 ASP HB3 H 1 2.595 0.015 . 1 . . . . A 57 ASP HB3 . 36409 1 622 . 1 . 1 57 57 ASP C C 13 178.619 0 . 1 . . . . A 57 ASP C . 36409 1 623 . 1 . 1 57 57 ASP CA C 13 57.695 0.085 . 1 . . . . A 57 ASP CA . 36409 1 624 . 1 . 1 57 57 ASP CB C 13 40.173 0.046 . 1 . . . . A 57 ASP CB . 36409 1 625 . 1 . 1 57 57 ASP N N 15 123.642 0.022 . 1 . . . . A 57 ASP N . 36409 1 626 . 1 . 1 58 58 GLU H H 1 9.429 0.005 . 1 . . . . A 58 GLU H . 36409 1 627 . 1 . 1 58 58 GLU HA H 1 4.119 0.008 . 1 . . . . A 58 GLU HA . 36409 1 628 . 1 . 1 58 58 GLU HB2 H 1 2.053 0.014 . 1 . . . . A 58 GLU HB2 . 36409 1 629 . 1 . 1 58 58 GLU HB3 H 1 2.053 0.014 . 1 . . . . A 58 GLU HB3 . 36409 1 630 . 1 . 1 58 58 GLU HG2 H 1 2.343 0.001 . 1 . . . . A 58 GLU HG2 . 36409 1 631 . 1 . 1 58 58 GLU HG3 H 1 2.343 0.001 . 1 . . . . A 58 GLU HG3 . 36409 1 632 . 1 . 1 58 58 GLU C C 13 177.354 0 . 1 . . . . A 58 GLU C . 36409 1 633 . 1 . 1 58 58 GLU CA C 13 58.991 0.153 . 1 . . . . A 58 GLU CA . 36409 1 634 . 1 . 1 58 58 GLU CB C 13 28.488 0.071 . 1 . . . . A 58 GLU CB . 36409 1 635 . 1 . 1 58 58 GLU CG C 13 35.991 0 . 1 . . . . A 58 GLU CG . 36409 1 636 . 1 . 1 58 58 GLU N N 15 117.131 0.009 . 1 . . . . A 58 GLU N . 36409 1 637 . 1 . 1 59 59 ASP H H 1 7.57 0.004 . 1 . . . . A 59 ASP H . 36409 1 638 . 1 . 1 59 59 ASP HA H 1 4.703 0.005 . 1 . . . . A 59 ASP HA . 36409 1 639 . 1 . 1 59 59 ASP HB2 H 1 2.708 0.01 . 1 . . . . A 59 ASP HB2 . 36409 1 640 . 1 . 1 59 59 ASP HB3 H 1 2.708 0.01 . 1 . . . . A 59 ASP HB3 . 36409 1 641 . 1 . 1 59 59 ASP C C 13 178.186 0 . 1 . . . . A 59 ASP C . 36409 1 642 . 1 . 1 59 59 ASP CA C 13 55.094 0.099 . 1 . . . . A 59 ASP CA . 36409 1 643 . 1 . 1 59 59 ASP CB C 13 40.248 0.014 . 1 . . . . A 59 ASP CB . 36409 1 644 . 1 . 1 59 59 ASP N N 15 119.199 0.017 . 1 . . . . A 59 ASP N . 36409 1 645 . 1 . 1 60 60 SER H H 1 7.958 0.002 . 1 . . . . A 60 SER H . 36409 1 646 . 1 . 1 60 60 SER HA H 1 4.556 0 . 1 . . . . A 60 SER HA . 36409 1 647 . 1 . 1 60 60 SER HB2 H 1 3.878 0.001 . 1 . . . . A 60 SER HB2 . 36409 1 648 . 1 . 1 60 60 SER HB3 H 1 3.815 0.004 . 1 . . . . A 60 SER HB3 . 36409 1 649 . 1 . 1 60 60 SER C C 13 176.293 0 . 1 . . . . A 60 SER C . 36409 1 650 . 1 . 1 60 60 SER CA C 13 62.12 0.23 . 1 . . . . A 60 SER CA . 36409 1 651 . 1 . 1 60 60 SER N N 15 115.84 0.017 . 1 . . . . A 60 SER N . 36409 1 652 . 1 . 1 61 61 ASN H H 1 7.831 0.002 . 1 . . . . A 61 ASN H . 36409 1 653 . 1 . 1 61 61 ASN HA H 1 4.441 0.022 . 1 . . . . A 61 ASN HA . 36409 1 654 . 1 . 1 61 61 ASN HB2 H 1 2.844 0.027 . 1 . . . . A 61 ASN HB2 . 36409 1 655 . 1 . 1 61 61 ASN HB3 H 1 2.79 0 . 1 . . . . A 61 ASN HB3 . 36409 1 656 . 1 . 1 61 61 ASN C C 13 175.746 0 . 1 . . . . A 61 ASN C . 36409 1 657 . 1 . 1 61 61 ASN CA C 13 55.227 0.081 . 1 . . . . A 61 ASN CA . 36409 1 658 . 1 . 1 61 61 ASN CB C 13 38.22 0.009 . 1 . . . . A 61 ASN CB . 36409 1 659 . 1 . 1 61 61 ASN N N 15 117.94 0.022 . 1 . . . . A 61 ASN N . 36409 1 660 . 1 . 1 62 62 GLU H H 1 7.491 0.001 . 1 . . . . A 62 GLU H . 36409 1 661 . 1 . 1 62 62 GLU HA H 1 4.424 0.019 . 1 . . . . A 62 GLU HA . 36409 1 662 . 1 . 1 62 62 GLU HB2 H 1 2.352 0.016 . 1 . . . . A 62 GLU HB2 . 36409 1 663 . 1 . 1 62 62 GLU HB3 H 1 1.975 0.01 . 1 . . . . A 62 GLU HB3 . 36409 1 664 . 1 . 1 62 62 GLU C C 13 176.508 0 . 1 . . . . A 62 GLU C . 36409 1 665 . 1 . 1 62 62 GLU CA C 13 56.033 0.026 . 1 . . . . A 62 GLU CA . 36409 1 666 . 1 . 1 62 62 GLU CB C 13 29.842 0.208 . 1 . . . . A 62 GLU CB . 36409 1 667 . 1 . 1 62 62 GLU CG C 13 35.944 0 . 1 . . . . A 62 GLU CG . 36409 1 668 . 1 . 1 62 62 GLU N N 15 115.268 0.01 . 1 . . . . A 62 GLU N . 36409 1 669 . 1 . 1 63 63 ILE H H 1 7.383 0.005 . 1 . . . . A 63 ILE H . 36409 1 670 . 1 . 1 63 63 ILE HA H 1 4.359 0.011 . 1 . . . . A 63 ILE HA . 36409 1 671 . 1 . 1 63 63 ILE HB H 1 2.039 0.012 . 1 . . . . A 63 ILE HB . 36409 1 672 . 1 . 1 63 63 ILE HG12 H 1 1.401 0 . 1 . . . . A 63 ILE HG12 . 36409 1 673 . 1 . 1 63 63 ILE HG13 H 1 1.401 0 . 1 . . . . A 63 ILE HG13 . 36409 1 674 . 1 . 1 63 63 ILE HG21 H 1 0.931 0.002 . 1 . . . . A 63 ILE HG21 . 36409 1 675 . 1 . 1 63 63 ILE HG22 H 1 0.931 0.002 . 1 . . . . A 63 ILE HG22 . 36409 1 676 . 1 . 1 63 63 ILE HG23 H 1 0.931 0.002 . 1 . . . . A 63 ILE HG23 . 36409 1 677 . 1 . 1 63 63 ILE HD11 H 1 0.919 0.004 . 1 . . . . A 63 ILE HD11 . 36409 1 678 . 1 . 1 63 63 ILE HD12 H 1 0.919 0.004 . 1 . . . . A 63 ILE HD12 . 36409 1 679 . 1 . 1 63 63 ILE HD13 H 1 0.919 0.004 . 1 . . . . A 63 ILE HD13 . 36409 1 680 . 1 . 1 63 63 ILE C C 13 174.65 0 . 1 . . . . A 63 ILE C . 36409 1 681 . 1 . 1 63 63 ILE CA C 13 60.018 0.163 . 1 . . . . A 63 ILE CA . 36409 1 682 . 1 . 1 63 63 ILE CB C 13 36.287 0.207 . 1 . . . . A 63 ILE CB . 36409 1 683 . 1 . 1 63 63 ILE CG1 C 13 26.577 0 . 1 . . . . A 63 ILE CG1 . 36409 1 684 . 1 . 1 63 63 ILE CG2 C 13 18.033 0 . 1 . . . . A 63 ILE CG2 . 36409 1 685 . 1 . 1 63 63 ILE CD1 C 13 11.819 0 . 1 . . . . A 63 ILE CD1 . 36409 1 686 . 1 . 1 63 63 ILE N N 15 121.659 0.02 . 1 . . . . A 63 ILE N . 36409 1 687 . 1 . 1 64 64 THR H H 1 7.811 0.004 . 1 . . . . A 64 THR H . 36409 1 688 . 1 . 1 64 64 THR HA H 1 4.699 0.015 . 1 . . . . A 64 THR HA . 36409 1 689 . 1 . 1 64 64 THR HB H 1 4.391 0.022 . 1 . . . . A 64 THR HB . 36409 1 690 . 1 . 1 64 64 THR HG21 H 1 1.182 0 . 1 . . . . A 64 THR HG21 . 36409 1 691 . 1 . 1 64 64 THR HG22 H 1 1.182 0 . 1 . . . . A 64 THR HG22 . 36409 1 692 . 1 . 1 64 64 THR HG23 H 1 1.182 0 . 1 . . . . A 64 THR HG23 . 36409 1 693 . 1 . 1 64 64 THR C C 13 175.859 0 . 1 . . . . A 64 THR C . 36409 1 694 . 1 . 1 64 64 THR CA C 13 61.941 0.117 . 1 . . . . A 64 THR CA . 36409 1 695 . 1 . 1 64 64 THR CB C 13 70.026 0.117 . 1 . . . . A 64 THR CB . 36409 1 696 . 1 . 1 64 64 THR CG2 C 13 22.175 0 . 1 . . . . A 64 THR CG2 . 36409 1 697 . 1 . 1 64 64 THR N N 15 112.381 0.021 . 1 . . . . A 64 THR N . 36409 1 698 . 1 . 1 65 65 THR H H 1 7.785 0.005 . 1 . . . . A 65 THR H . 36409 1 699 . 1 . 1 65 65 THR HA H 1 4.895 0.018 . 1 . . . . A 65 THR HA . 36409 1 700 . 1 . 1 65 65 THR HB H 1 4.124 0.006 . 1 . . . . A 65 THR HB . 36409 1 701 . 1 . 1 65 65 THR HG21 H 1 1.074 0 . 1 . . . . A 65 THR HG21 . 36409 1 702 . 1 . 1 65 65 THR HG22 H 1 1.074 0 . 1 . . . . A 65 THR HG22 . 36409 1 703 . 1 . 1 65 65 THR HG23 H 1 1.074 0 . 1 . . . . A 65 THR HG23 . 36409 1 704 . 1 . 1 65 65 THR C C 13 175.402 0 . 1 . . . . A 65 THR C . 36409 1 705 . 1 . 1 65 65 THR CA C 13 58.156 0.003 . 1 . . . . A 65 THR CA . 36409 1 706 . 1 . 1 65 65 THR CB C 13 73.972 0.075 . 1 . . . . A 65 THR CB . 36409 1 707 . 1 . 1 65 65 THR CG2 C 13 21.304 0 . 1 . . . . A 65 THR CG2 . 36409 1 708 . 1 . 1 65 65 THR N N 15 112.115 0.032 . 1 . . . . A 65 THR N . 36409 1 709 . 1 . 1 66 66 VAL H H 1 8.235 0.003 . 1 . . . . A 66 VAL H . 36409 1 710 . 1 . 1 66 66 VAL HA H 1 3.407 0.011 . 1 . . . . A 66 VAL HA . 36409 1 711 . 1 . 1 66 66 VAL HB H 1 2.538 0.017 . 1 . . . . A 66 VAL HB . 36409 1 712 . 1 . 1 66 66 VAL HG11 H 1 0.829 0.005 . 1 . . . . A 66 VAL HG11 . 36409 1 713 . 1 . 1 66 66 VAL HG12 H 1 0.829 0.005 . 1 . . . . A 66 VAL HG12 . 36409 1 714 . 1 . 1 66 66 VAL HG13 H 1 0.829 0.005 . 1 . . . . A 66 VAL HG13 . 36409 1 715 . 1 . 1 66 66 VAL HG21 H 1 0.789 0.008 . 1 . . . . A 66 VAL HG21 . 36409 1 716 . 1 . 1 66 66 VAL HG22 H 1 0.789 0.008 . 1 . . . . A 66 VAL HG22 . 36409 1 717 . 1 . 1 66 66 VAL HG23 H 1 0.789 0.008 . 1 . . . . A 66 VAL HG23 . 36409 1 718 . 1 . 1 66 66 VAL C C 13 178.446 0 . 1 . . . . A 66 VAL C . 36409 1 719 . 1 . 1 66 66 VAL CA C 13 67.693 0.111 . 1 . . . . A 66 VAL CA . 36409 1 720 . 1 . 1 66 66 VAL CB C 13 30.36 0.154 . 1 . . . . A 66 VAL CB . 36409 1 721 . 1 . 1 66 66 VAL CG1 C 13 23.376 0 . 1 . . . . A 66 VAL CG1 . 36409 1 722 . 1 . 1 66 66 VAL CG2 C 13 21.54 0 . 1 . . . . A 66 VAL CG2 . 36409 1 723 . 1 . 1 66 66 VAL N N 15 123.287 0.02 . 1 . . . . A 66 VAL N . 36409 1 724 . 1 . 1 67 67 GLN H H 1 8.834 0.003 . 1 . . . . A 67 GLN H . 36409 1 725 . 1 . 1 67 67 GLN HA H 1 3.708 0.005 . 1 . . . . A 67 GLN HA . 36409 1 726 . 1 . 1 67 67 GLN HB2 H 1 2.169 0.011 . 1 . . . . A 67 GLN HB2 . 36409 1 727 . 1 . 1 67 67 GLN HB3 H 1 1.792 0.016 . 1 . . . . A 67 GLN HB3 . 36409 1 728 . 1 . 1 67 67 GLN HG2 H 1 2.263 0 . 1 . . . . A 67 GLN HG2 . 36409 1 729 . 1 . 1 67 67 GLN HG3 H 1 2.211 0 . 1 . . . . A 67 GLN HG3 . 36409 1 730 . 1 . 1 67 67 GLN C C 13 177.284 0 . 1 . . . . A 67 GLN C . 36409 1 731 . 1 . 1 67 67 GLN CA C 13 58.155 0.131 . 1 . . . . A 67 GLN CA . 36409 1 732 . 1 . 1 67 67 GLN CB C 13 28.762 0.106 . 1 . . . . A 67 GLN CB . 36409 1 733 . 1 . 1 67 67 GLN CG C 13 33.238 0 . 1 . . . . A 67 GLN CG . 36409 1 734 . 1 . 1 67 67 GLN N N 15 118.652 0.014 . 1 . . . . A 67 GLN N . 36409 1 735 . 1 . 1 68 68 SER H H 1 8.345 0.003 . 1 . . . . A 68 SER H . 36409 1 736 . 1 . 1 68 68 SER HA H 1 4.355 0.007 . 1 . . . . A 68 SER HA . 36409 1 737 . 1 . 1 68 68 SER HB2 H 1 4.205 0.004 . 1 . . . . A 68 SER HB2 . 36409 1 738 . 1 . 1 68 68 SER HB3 H 1 4.129 0.009 . 1 . . . . A 68 SER HB3 . 36409 1 739 . 1 . 1 68 68 SER C C 13 177.54 0 . 1 . . . . A 68 SER C . 36409 1 740 . 1 . 1 68 68 SER CA C 13 61.549 0.002 . 1 . . . . A 68 SER CA . 36409 1 741 . 1 . 1 68 68 SER CB C 13 62.775 0.174 . 1 . . . . A 68 SER CB . 36409 1 742 . 1 . 1 68 68 SER N N 15 114.707 0.025 . 1 . . . . A 68 SER N . 36409 1 743 . 1 . 1 69 69 ALA H H 1 7.909 0.003 . 1 . . . . A 69 ALA H . 36409 1 744 . 1 . 1 69 69 ALA HA H 1 4.116 0.008 . 1 . . . . A 69 ALA HA . 36409 1 745 . 1 . 1 69 69 ALA HB1 H 1 1.519 0.01 . 1 . . . . A 69 ALA HB1 . 36409 1 746 . 1 . 1 69 69 ALA HB2 H 1 1.519 0.01 . 1 . . . . A 69 ALA HB2 . 36409 1 747 . 1 . 1 69 69 ALA HB3 H 1 1.519 0.01 . 1 . . . . A 69 ALA HB3 . 36409 1 748 . 1 . 1 69 69 ALA C C 13 177.86 0 . 1 . . . . A 69 ALA C . 36409 1 749 . 1 . 1 69 69 ALA CA C 13 55.59 0.017 . 1 . . . . A 69 ALA CA . 36409 1 750 . 1 . 1 69 69 ALA CB C 13 18.392 0.057 . 1 . . . . A 69 ALA CB . 36409 1 751 . 1 . 1 69 69 ALA N N 15 126.181 0.028 . 1 . . . . A 69 ALA N . 36409 1 752 . 1 . 1 70 70 ILE H H 1 8.092 0.002 . 1 . . . . A 70 ILE H . 36409 1 753 . 1 . 1 70 70 ILE HA H 1 3.191 0.009 . 1 . . . . A 70 ILE HA . 36409 1 754 . 1 . 1 70 70 ILE HB H 1 1.975 0.016 . 1 . . . . A 70 ILE HB . 36409 1 755 . 1 . 1 70 70 ILE HD11 H 1 0.77 0.005 . 1 . . . . A 70 ILE HD11 . 36409 1 756 . 1 . 1 70 70 ILE HD12 H 1 0.77 0.005 . 1 . . . . A 70 ILE HD12 . 36409 1 757 . 1 . 1 70 70 ILE HD13 H 1 0.77 0.005 . 1 . . . . A 70 ILE HD13 . 36409 1 758 . 1 . 1 70 70 ILE C C 13 179.495 0 . 1 . . . . A 70 ILE C . 36409 1 759 . 1 . 1 70 70 ILE CA C 13 65.935 0.098 . 1 . . . . A 70 ILE CA . 36409 1 760 . 1 . 1 70 70 ILE CB C 13 38.212 0.07 . 1 . . . . A 70 ILE CB . 36409 1 761 . 1 . 1 70 70 ILE CG1 C 13 29.421 0 . 1 . . . . A 70 ILE CG1 . 36409 1 762 . 1 . 1 70 70 ILE CG2 C 13 16.69 0 . 1 . . . . A 70 ILE CG2 . 36409 1 763 . 1 . 1 70 70 ILE CD1 C 13 15.48 0 . 1 . . . . A 70 ILE CD1 . 36409 1 764 . 1 . 1 70 70 ILE N N 15 118.642 0.017 . 1 . . . . A 70 ILE N . 36409 1 765 . 1 . 1 71 71 ASP H H 1 9.248 0.005 . 1 . . . . A 71 ASP H . 36409 1 766 . 1 . 1 71 71 ASP HA H 1 4.229 0.003 . 1 . . . . A 71 ASP HA . 36409 1 767 . 1 . 1 71 71 ASP HB2 H 1 2.688 0.011 . 1 . . . . A 71 ASP HB2 . 36409 1 768 . 1 . 1 71 71 ASP HB3 H 1 2.688 0.011 . 1 . . . . A 71 ASP HB3 . 36409 1 769 . 1 . 1 71 71 ASP C C 13 177.976 0 . 1 . . . . A 71 ASP C . 36409 1 770 . 1 . 1 71 71 ASP CA C 13 57.487 0.036 . 1 . . . . A 71 ASP CA . 36409 1 771 . 1 . 1 71 71 ASP CB C 13 39.866 0.015 . 1 . . . . A 71 ASP CB . 36409 1 772 . 1 . 1 71 71 ASP N N 15 123.242 0.019 . 1 . . . . A 71 ASP N . 36409 1 773 . 1 . 1 72 72 TYR H H 1 8.155 0.003 . 1 . . . . A 72 TYR H . 36409 1 774 . 1 . 1 72 72 TYR HA H 1 3.947 0.019 . 1 . . . . A 72 TYR HA . 36409 1 775 . 1 . 1 72 72 TYR HB2 H 1 3.216 0.009 . 1 . . . . A 72 TYR HB2 . 36409 1 776 . 1 . 1 72 72 TYR HB3 H 1 2.951 0.012 . 1 . . . . A 72 TYR HB3 . 36409 1 777 . 1 . 1 72 72 TYR C C 13 177.551 0 . 1 . . . . A 72 TYR C . 36409 1 778 . 1 . 1 72 72 TYR CA C 13 62.24 0.049 . 1 . . . . A 72 TYR CA . 36409 1 779 . 1 . 1 72 72 TYR CB C 13 39.033 0.086 . 1 . . . . A 72 TYR CB . 36409 1 780 . 1 . 1 72 72 TYR N N 15 121.944 0.018 . 1 . . . . A 72 TYR N . 36409 1 781 . 1 . 1 73 73 VAL H H 1 8.234 0.003 . 1 . . . . A 73 VAL H . 36409 1 782 . 1 . 1 73 73 VAL HA H 1 3.001 0.017 . 1 . . . . A 73 VAL HA . 36409 1 783 . 1 . 1 73 73 VAL HB H 1 1.459 0.004 . 1 . . . . A 73 VAL HB . 36409 1 784 . 1 . 1 73 73 VAL HG11 H 1 0.451 0.002 . 1 . . . . A 73 VAL HG11 . 36409 1 785 . 1 . 1 73 73 VAL HG12 H 1 0.451 0.002 . 1 . . . . A 73 VAL HG12 . 36409 1 786 . 1 . 1 73 73 VAL HG13 H 1 0.451 0.002 . 1 . . . . A 73 VAL HG13 . 36409 1 787 . 1 . 1 73 73 VAL HG21 H 1 0.429 0.012 . 1 . . . . A 73 VAL HG21 . 36409 1 788 . 1 . 1 73 73 VAL HG22 H 1 0.429 0.012 . 1 . . . . A 73 VAL HG22 . 36409 1 789 . 1 . 1 73 73 VAL HG23 H 1 0.429 0.012 . 1 . . . . A 73 VAL HG23 . 36409 1 790 . 1 . 1 73 73 VAL C C 13 177.21 0 . 1 . . . . A 73 VAL C . 36409 1 791 . 1 . 1 73 73 VAL CA C 13 67.154 0.128 . 1 . . . . A 73 VAL CA . 36409 1 792 . 1 . 1 73 73 VAL CB C 13 31.071 0.033 . 1 . . . . A 73 VAL CB . 36409 1 793 . 1 . 1 73 73 VAL CG1 C 13 21.385 0 . 1 . . . . A 73 VAL CG1 . 36409 1 794 . 1 . 1 73 73 VAL CG2 C 13 20.886 0 . 1 . . . . A 73 VAL CG2 . 36409 1 795 . 1 . 1 73 73 VAL N N 15 118.469 0.014 . 1 . . . . A 73 VAL N . 36409 1 796 . 1 . 1 74 74 THR H H 1 8.069 0.003 . 1 . . . . A 74 THR H . 36409 1 797 . 1 . 1 74 74 THR HA H 1 4.216 0.001 . 1 . . . . A 74 THR HA . 36409 1 798 . 1 . 1 74 74 THR HB H 1 3.599 0.014 . 1 . . . . A 74 THR HB . 36409 1 799 . 1 . 1 74 74 THR HG21 H 1 1.128 0.001 . 1 . . . . A 74 THR HG21 . 36409 1 800 . 1 . 1 74 74 THR HG22 H 1 1.128 0.001 . 1 . . . . A 74 THR HG22 . 36409 1 801 . 1 . 1 74 74 THR HG23 H 1 1.128 0.001 . 1 . . . . A 74 THR HG23 . 36409 1 802 . 1 . 1 74 74 THR C C 13 176.893 0 . 1 . . . . A 74 THR C . 36409 1 803 . 1 . 1 74 74 THR CA C 13 67.612 0.115 . 1 . . . . A 74 THR CA . 36409 1 804 . 1 . 1 74 74 THR CB C 13 68.601 0.094 . 1 . . . . A 74 THR CB . 36409 1 805 . 1 . 1 74 74 THR CG2 C 13 20.621 0 . 1 . . . . A 74 THR CG2 . 36409 1 806 . 1 . 1 74 74 THR N N 15 113.991 0.01 . 1 . . . . A 74 THR N . 36409 1 807 . 1 . 1 75 75 LYS H H 1 7.638 0.003 . 1 . . . . A 75 LYS H . 36409 1 808 . 1 . 1 75 75 LYS HA H 1 4.005 0.02 . 1 . . . . A 75 LYS HA . 36409 1 809 . 1 . 1 75 75 LYS HB2 H 1 1.783 0.011 . 1 . . . . A 75 LYS HB2 . 36409 1 810 . 1 . 1 75 75 LYS HB3 H 1 1.783 0.011 . 1 . . . . A 75 LYS HB3 . 36409 1 811 . 1 . 1 75 75 LYS HG2 H 1 1.368 0.004 . 1 . . . . A 75 LYS HG2 . 36409 1 812 . 1 . 1 75 75 LYS HG3 H 1 1.368 0.004 . 1 . . . . A 75 LYS HG3 . 36409 1 813 . 1 . 1 75 75 LYS HD2 H 1 1.575 0 . 1 . . . . A 75 LYS HD2 . 36409 1 814 . 1 . 1 75 75 LYS HD3 H 1 1.575 0 . 1 . . . . A 75 LYS HD3 . 36409 1 815 . 1 . 1 75 75 LYS HE2 H 1 2.828 0.011 . 1 . . . . A 75 LYS HE2 . 36409 1 816 . 1 . 1 75 75 LYS HE3 H 1 2.828 0.011 . 1 . . . . A 75 LYS HE3 . 36409 1 817 . 1 . 1 75 75 LYS C C 13 178.873 0 . 1 . . . . A 75 LYS C . 36409 1 818 . 1 . 1 75 75 LYS CA C 13 59.015 0.063 . 1 . . . . A 75 LYS CA . 36409 1 819 . 1 . 1 75 75 LYS CB C 13 31.895 0.071 . 1 . . . . A 75 LYS CB . 36409 1 820 . 1 . 1 75 75 LYS CG C 13 24.923 0 . 1 . . . . A 75 LYS CG . 36409 1 821 . 1 . 1 75 75 LYS CD C 13 29.332 0 . 1 . . . . A 75 LYS CD . 36409 1 822 . 1 . 1 75 75 LYS CE C 13 41.987 0 . 1 . . . . A 75 LYS CE . 36409 1 823 . 1 . 1 75 75 LYS N N 15 120.66 0.018 . 1 . . . . A 75 LYS N . 36409 1 824 . 1 . 1 76 76 LYS H H 1 7.658 0.004 . 1 . . . . A 76 LYS H . 36409 1 825 . 1 . 1 76 76 LYS HA H 1 4.017 0.018 . 1 . . . . A 76 LYS HA . 36409 1 826 . 1 . 1 76 76 LYS HB2 H 1 1.722 0.018 . 1 . . . . A 76 LYS HB2 . 36409 1 827 . 1 . 1 76 76 LYS HB3 H 1 1.722 0.018 . 1 . . . . A 76 LYS HB3 . 36409 1 828 . 1 . 1 76 76 LYS HG2 H 1 1.142 0.001 . 1 . . . . A 76 LYS HG2 . 36409 1 829 . 1 . 1 76 76 LYS HG3 H 1 1.142 0.001 . 1 . . . . A 76 LYS HG3 . 36409 1 830 . 1 . 1 76 76 LYS HD2 H 1 1.668 0 . 1 . . . . A 76 LYS HD2 . 36409 1 831 . 1 . 1 76 76 LYS C C 13 178.139 0 . 1 . . . . A 76 LYS C . 36409 1 832 . 1 . 1 76 76 LYS CA C 13 56.983 0.058 . 1 . . . . A 76 LYS CA . 36409 1 833 . 1 . 1 76 76 LYS CB C 13 31.891 0.038 . 1 . . . . A 76 LYS CB . 36409 1 834 . 1 . 1 76 76 LYS CG C 13 24.487 0 . 1 . . . . A 76 LYS CG . 36409 1 835 . 1 . 1 76 76 LYS CD C 13 27.971 0 . 1 . . . . A 76 LYS CD . 36409 1 836 . 1 . 1 76 76 LYS CE C 13 42.204 0 . 1 . . . . A 76 LYS CE . 36409 1 837 . 1 . 1 76 76 LYS N N 15 118.675 0.017 . 1 . . . . A 76 LYS N . 36409 1 838 . 1 . 1 77 77 LEU H H 1 7.767 0.003 . 1 . . . . A 77 LEU H . 36409 1 839 . 1 . 1 77 77 LEU HA H 1 4.283 0.006 . 1 . . . . A 77 LEU HA . 36409 1 840 . 1 . 1 77 77 LEU HB2 H 1 1.707 0.009 . 1 . . . . A 77 LEU HB2 . 36409 1 841 . 1 . 1 77 77 LEU HB3 H 1 1.647 0.013 . 1 . . . . A 77 LEU HB3 . 36409 1 842 . 1 . 1 77 77 LEU HG H 1 1.375 0 . 1 . . . . A 77 LEU HG . 36409 1 843 . 1 . 1 77 77 LEU HD11 H 1 0.837 0.001 . 1 . . . . A 77 LEU HD11 . 36409 1 844 . 1 . 1 77 77 LEU HD12 H 1 0.837 0.001 . 1 . . . . A 77 LEU HD12 . 36409 1 845 . 1 . 1 77 77 LEU HD13 H 1 0.837 0.001 . 1 . . . . A 77 LEU HD13 . 36409 1 846 . 1 . 1 77 77 LEU HD21 H 1 0.929 0.005 . 1 . . . . A 77 LEU HD21 . 36409 1 847 . 1 . 1 77 77 LEU HD22 H 1 0.929 0.005 . 1 . . . . A 77 LEU HD22 . 36409 1 848 . 1 . 1 77 77 LEU HD23 H 1 0.929 0.005 . 1 . . . . A 77 LEU HD23 . 36409 1 849 . 1 . 1 77 77 LEU C C 13 177.611 0 . 1 . . . . A 77 LEU C . 36409 1 850 . 1 . 1 77 77 LEU CA C 13 55.901 0.04 . 1 . . . . A 77 LEU CA . 36409 1 851 . 1 . 1 77 77 LEU CB C 13 42.243 0.032 . 1 . . . . A 77 LEU CB . 36409 1 852 . 1 . 1 77 77 LEU CG C 13 27.046 0 . 1 . . . . A 77 LEU CG . 36409 1 853 . 1 . 1 77 77 LEU CD1 C 13 25.875 0 . 1 . . . . A 77 LEU CD1 . 36409 1 854 . 1 . 1 77 77 LEU CD2 C 13 23.181 0 . 1 . . . . A 77 LEU CD2 . 36409 1 855 . 1 . 1 77 77 LEU N N 15 119.205 0.021 . 1 . . . . A 77 LEU N . 36409 1 856 . 1 . 1 78 78 GLY H H 1 7.449 0.003 . 1 . . . . A 78 GLY H . 36409 1 857 . 1 . 1 78 78 GLY HA2 H 1 3.734 0 . 1 . . . . A 78 GLY HA2 . 36409 1 858 . 1 . 1 78 78 GLY HA3 H 1 3.734 0 . 1 . . . . A 78 GLY HA3 . 36409 1 859 . 1 . 1 78 78 GLY CA C 13 46.616 0 . 1 . . . . A 78 GLY CA . 36409 1 860 . 1 . 1 78 78 GLY N N 15 113.036 0.015 . 1 . . . . A 78 GLY N . 36409 1 stop_ save_