data_30127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30127 _Entry.Title ; Recognition and targeting mechanisms by chaperones in flagella assembly and operation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-01 _Entry.Accession_date 2016-07-01 _Entry.Last_release_date 2016-08-11 _Entry.Original_release_date 2016-08-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 N. Khanra N. K. . . 30127 2 P. Rossi P. . . . 30127 3 A. Economou A. . . . 30127 4 C. Kalodimos C. G. . . 30127 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HYDROLASE . 30127 'assembly factors' . 30127 chaperones . 30127 flagella . 30127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 500 30127 '15N chemical shifts' 139 30127 '1H chemical shifts' 480 30127 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-02-23 2016-07-01 update BMRB 'update entry citation' 30127 1 . . 2016-08-11 2016-07-01 original author 'original release' 30127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KP0 'BMRB Entry Tracking System' 30127 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30127 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27528687 _Citation.Full_citation . _Citation.Title ; Recognition and targeting mechanisms by chaperones in flagellum assembly and operation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9798 _Citation.Page_last 9803 _Citation.Year 2016 _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 N. Khanra N. K. . . 30127 1 2 P. Rossi P. . . . 30127 1 3 A. Economou A. . . . 30127 1 4 C. Kalodimos C. G. . . 30127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30127 _Assembly.ID 1 _Assembly.Name 'Flagellar protein FliT,Flagellum-specific ATP synthase (E.C.3.6.3.14)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30127 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Flagellar protein FliT,Flagellum-specific ATP synthase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTSTVEFINRWQRIALLSQS LLELAQRGEWDLLLQQEVSY LQSIETVMEKQTPPGITRSI QDMVAGYIKQTLDNEQLLKG LLQQRLDELSSLIGQVLFQG PSAGLVPRGSGGIEGMTTRL TRWLTALDNFEAKMALLPAV ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.6.3.14 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15656.003 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 30127 1 2 2 THR . 30127 1 3 3 SER . 30127 1 4 4 THR . 30127 1 5 5 VAL . 30127 1 6 6 GLU . 30127 1 7 7 PHE . 30127 1 8 8 ILE . 30127 1 9 9 ASN . 30127 1 10 10 ARG . 30127 1 11 11 TRP . 30127 1 12 12 GLN . 30127 1 13 13 ARG . 30127 1 14 14 ILE . 30127 1 15 15 ALA . 30127 1 16 16 LEU . 30127 1 17 17 LEU . 30127 1 18 18 SER . 30127 1 19 19 GLN . 30127 1 20 20 SER . 30127 1 21 21 LEU . 30127 1 22 22 LEU . 30127 1 23 23 GLU . 30127 1 24 24 LEU . 30127 1 25 25 ALA . 30127 1 26 26 GLN . 30127 1 27 27 ARG . 30127 1 28 28 GLY . 30127 1 29 29 GLU . 30127 1 30 30 TRP . 30127 1 31 31 ASP . 30127 1 32 32 LEU . 30127 1 33 33 LEU . 30127 1 34 34 LEU . 30127 1 35 35 GLN . 30127 1 36 36 GLN . 30127 1 37 37 GLU . 30127 1 38 38 VAL . 30127 1 39 39 SER . 30127 1 40 40 TYR . 30127 1 41 41 LEU . 30127 1 42 42 GLN . 30127 1 43 43 SER . 30127 1 44 44 ILE . 30127 1 45 45 GLU . 30127 1 46 46 THR . 30127 1 47 47 VAL . 30127 1 48 48 MET . 30127 1 49 49 GLU . 30127 1 50 50 LYS . 30127 1 51 51 GLN . 30127 1 52 52 THR . 30127 1 53 53 PRO . 30127 1 54 54 PRO . 30127 1 55 55 GLY . 30127 1 56 56 ILE . 30127 1 57 57 THR . 30127 1 58 58 ARG . 30127 1 59 59 SER . 30127 1 60 60 ILE . 30127 1 61 61 GLN . 30127 1 62 62 ASP . 30127 1 63 63 MET . 30127 1 64 64 VAL . 30127 1 65 65 ALA . 30127 1 66 66 GLY . 30127 1 67 67 TYR . 30127 1 68 68 ILE . 30127 1 69 69 LYS . 30127 1 70 70 GLN . 30127 1 71 71 THR . 30127 1 72 72 LEU . 30127 1 73 73 ASP . 30127 1 74 74 ASN . 30127 1 75 75 GLU . 30127 1 76 76 GLN . 30127 1 77 77 LEU . 30127 1 78 78 LEU . 30127 1 79 79 LYS . 30127 1 80 80 GLY . 30127 1 81 81 LEU . 30127 1 82 82 LEU . 30127 1 83 83 GLN . 30127 1 84 84 GLN . 30127 1 85 85 ARG . 30127 1 86 86 LEU . 30127 1 87 87 ASP . 30127 1 88 88 GLU . 30127 1 89 89 LEU . 30127 1 90 90 SER . 30127 1 91 91 SER . 30127 1 92 92 LEU . 30127 1 93 93 ILE . 30127 1 94 94 GLY . 30127 1 95 95 GLN . 30127 1 96 96 VAL . 30127 1 97 97 LEU . 30127 1 98 98 PHE . 30127 1 99 99 GLN . 30127 1 100 100 GLY . 30127 1 101 101 PRO . 30127 1 102 102 SER . 30127 1 103 103 ALA . 30127 1 104 104 GLY . 30127 1 105 105 LEU . 30127 1 106 106 VAL . 30127 1 107 107 PRO . 30127 1 108 108 ARG . 30127 1 109 109 GLY . 30127 1 110 110 SER . 30127 1 111 111 GLY . 30127 1 112 112 GLY . 30127 1 113 113 ILE . 30127 1 114 114 GLU . 30127 1 115 115 GLY . 30127 1 116 1001 MET . 30127 1 117 1002 THR . 30127 1 118 1003 THR . 30127 1 119 1004 ARG . 30127 1 120 1005 LEU . 30127 1 121 1006 THR . 30127 1 122 1007 ARG . 30127 1 123 1008 TRP . 30127 1 124 1009 LEU . 30127 1 125 1010 THR . 30127 1 126 1011 ALA . 30127 1 127 1012 LEU . 30127 1 128 1013 ASP . 30127 1 129 1014 ASN . 30127 1 130 1015 PHE . 30127 1 131 1016 GLU . 30127 1 132 1017 ALA . 30127 1 133 1018 LYS . 30127 1 134 1019 MET . 30127 1 135 1020 ALA . 30127 1 136 1021 LEU . 30127 1 137 1022 LEU . 30127 1 138 1023 PRO . 30127 1 139 1024 ALA . 30127 1 140 1025 VAL . 30127 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 30127 1 . THR 2 2 30127 1 . SER 3 3 30127 1 . THR 4 4 30127 1 . VAL 5 5 30127 1 . GLU 6 6 30127 1 . PHE 7 7 30127 1 . ILE 8 8 30127 1 . ASN 9 9 30127 1 . ARG 10 10 30127 1 . TRP 11 11 30127 1 . GLN 12 12 30127 1 . ARG 13 13 30127 1 . ILE 14 14 30127 1 . ALA 15 15 30127 1 . LEU 16 16 30127 1 . LEU 17 17 30127 1 . SER 18 18 30127 1 . GLN 19 19 30127 1 . SER 20 20 30127 1 . LEU 21 21 30127 1 . LEU 22 22 30127 1 . GLU 23 23 30127 1 . LEU 24 24 30127 1 . ALA 25 25 30127 1 . GLN 26 26 30127 1 . ARG 27 27 30127 1 . GLY 28 28 30127 1 . GLU 29 29 30127 1 . TRP 30 30 30127 1 . ASP 31 31 30127 1 . LEU 32 32 30127 1 . LEU 33 33 30127 1 . LEU 34 34 30127 1 . GLN 35 35 30127 1 . GLN 36 36 30127 1 . GLU 37 37 30127 1 . VAL 38 38 30127 1 . SER 39 39 30127 1 . TYR 40 40 30127 1 . LEU 41 41 30127 1 . GLN 42 42 30127 1 . SER 43 43 30127 1 . ILE 44 44 30127 1 . GLU 45 45 30127 1 . THR 46 46 30127 1 . VAL 47 47 30127 1 . MET 48 48 30127 1 . GLU 49 49 30127 1 . LYS 50 50 30127 1 . GLN 51 51 30127 1 . THR 52 52 30127 1 . PRO 53 53 30127 1 . PRO 54 54 30127 1 . GLY 55 55 30127 1 . ILE 56 56 30127 1 . THR 57 57 30127 1 . ARG 58 58 30127 1 . SER 59 59 30127 1 . ILE 60 60 30127 1 . GLN 61 61 30127 1 . ASP 62 62 30127 1 . MET 63 63 30127 1 . VAL 64 64 30127 1 . ALA 65 65 30127 1 . GLY 66 66 30127 1 . TYR 67 67 30127 1 . ILE 68 68 30127 1 . LYS 69 69 30127 1 . GLN 70 70 30127 1 . THR 71 71 30127 1 . LEU 72 72 30127 1 . ASP 73 73 30127 1 . ASN 74 74 30127 1 . GLU 75 75 30127 1 . GLN 76 76 30127 1 . LEU 77 77 30127 1 . LEU 78 78 30127 1 . LYS 79 79 30127 1 . GLY 80 80 30127 1 . LEU 81 81 30127 1 . LEU 82 82 30127 1 . GLN 83 83 30127 1 . GLN 84 84 30127 1 . ARG 85 85 30127 1 . LEU 86 86 30127 1 . ASP 87 87 30127 1 . GLU 88 88 30127 1 . LEU 89 89 30127 1 . SER 90 90 30127 1 . SER 91 91 30127 1 . LEU 92 92 30127 1 . ILE 93 93 30127 1 . GLY 94 94 30127 1 . GLN 95 95 30127 1 . VAL 96 96 30127 1 . LEU 97 97 30127 1 . PHE 98 98 30127 1 . GLN 99 99 30127 1 . GLY 100 100 30127 1 . PRO 101 101 30127 1 . SER 102 102 30127 1 . ALA 103 103 30127 1 . GLY 104 104 30127 1 . LEU 105 105 30127 1 . VAL 106 106 30127 1 . PRO 107 107 30127 1 . ARG 108 108 30127 1 . GLY 109 109 30127 1 . SER 110 110 30127 1 . GLY 111 111 30127 1 . GLY 112 112 30127 1 . ILE 113 113 30127 1 . GLU 114 114 30127 1 . GLY 115 115 30127 1 . MET 116 116 30127 1 . THR 117 117 30127 1 . THR 118 118 30127 1 . ARG 119 119 30127 1 . LEU 120 120 30127 1 . THR 121 121 30127 1 . ARG 122 122 30127 1 . TRP 123 123 30127 1 . LEU 124 124 30127 1 . THR 125 125 30127 1 . ALA 126 126 30127 1 . LEU 127 127 30127 1 . ASP 128 128 30127 1 . ASN 129 129 30127 1 . PHE 130 130 30127 1 . GLU 131 131 30127 1 . ALA 132 132 30127 1 . LYS 133 133 30127 1 . MET 134 134 30127 1 . ALA 135 135 30127 1 . LEU 136 136 30127 1 . LEU 137 137 30127 1 . PRO 138 138 30127 1 . ALA 139 139 30127 1 . VAL 140 140 30127 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 30127 _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 . 99287 organism . 'Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)' enterobacteria . . Bacteria . Salmonella typhimurium 'LT2 / SGSC1412 / ATCC 700720' . . . . . . . . . . 'fliT, STM1962, fliI, fla AIII, flaC, STM1972' . 30127 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 30127 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 30127 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-100% 15N,2H]_[1H,13C]ILVMATFY_[1H]W protein, 20 mM potassium phosphate, 100 mM potassium chloride, 5 mM beta-mercaptoethanol, 0.5 mM EDTA, 0.05 % 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30127 1 2 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 30127 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30127 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30127 1 5 protein '[U-100% 15N,2H]_[1H,13C]ILVMATFY_[1H]W' . . 1 $entity_1 . . 0.5 . . mM . . . . 30127 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30127 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30127 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30127 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30127 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N; U-99% 2H] protein, 20 mM potassium phosphate, 100 mM potassium chloride, 5 mM beta-mercaptoethanol, 0.5 mM EDTA, 0.05 % 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 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 30127 2 2 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 30127 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30127 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30127 2 5 protein '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30127 2 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30127 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30127 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30127 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30127 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 30127 1 pH 7 . pH 30127 1 pressure 1 . atm 30127 1 temperature 298 . K 30127 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30127 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30127 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30127 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30127 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30127 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30127 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30127 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30127 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30127 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30127 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30127 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30127 _Software.ID 5 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30127 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30127 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30127 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30127 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30127 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30127 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30127 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30127 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30127 _Software.ID 8 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30127 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30127 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30127 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30127 _NMR_spectrometer_list.ID 1 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_2 Bruker AvanceIII . 700 . . . 30127 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30127 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30127 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30127 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30127 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30127 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30127 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30127 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30127 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30127 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30127 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30127 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 30127 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30127 1 2 '2D 1H-13C HSQC' . . . 30127 1 3 '3D HNCACB' . . . 30127 1 6 '3D HNCO' . . . 30127 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $software_6 . . 30127 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.101 0.010 . 1 . . . A 1 MET HE1 . 30127 1 2 . 1 1 1 1 MET HE2 H 1 2.101 0.010 . 1 . . . A 1 MET HE2 . 30127 1 3 . 1 1 1 1 MET HE3 H 1 2.101 0.010 . 1 . . . A 1 MET HE3 . 30127 1 4 . 1 1 1 1 MET CE C 13 17.030 0.200 . 1 . . . A 1 MET CE . 30127 1 5 . 1 1 2 2 THR HG21 H 1 1.078 0.010 . 1 . . . A 2 THR HG21 . 30127 1 6 . 1 1 2 2 THR HG22 H 1 1.078 0.010 . 1 . . . A 2 THR HG22 . 30127 1 7 . 1 1 2 2 THR HG23 H 1 1.078 0.010 . 1 . . . A 2 THR HG23 . 30127 1 8 . 1 1 2 2 THR C C 13 174.568 0.200 . 1 . . . A 2 THR C . 30127 1 9 . 1 1 2 2 THR CG2 C 13 22.186 0.200 . 1 . . . A 2 THR CG2 . 30127 1 10 . 1 1 3 3 SER H H 1 8.381 0.010 . 1 . . . A 3 SER H . 30127 1 11 . 1 1 3 3 SER CA C 13 59.151 0.200 . 1 . . . A 3 SER CA . 30127 1 12 . 1 1 3 3 SER CB C 13 63.546 0.200 . 1 . . . A 3 SER CB . 30127 1 13 . 1 1 3 3 SER N N 15 115.693 0.200 . 1 . . . A 3 SER N . 30127 1 14 . 1 1 4 4 THR HG21 H 1 1.325 0.010 . 1 . . . A 4 THR HG21 . 30127 1 15 . 1 1 4 4 THR HG22 H 1 1.325 0.010 . 1 . . . A 4 THR HG22 . 30127 1 16 . 1 1 4 4 THR HG23 H 1 1.325 0.010 . 1 . . . A 4 THR HG23 . 30127 1 17 . 1 1 4 4 THR C C 13 175.573 0.200 . 1 . . . A 4 THR C . 30127 1 18 . 1 1 4 4 THR CA C 13 67.027 0.200 . 1 . . . A 4 THR CA . 30127 1 19 . 1 1 4 4 THR CB C 13 68.550 0.200 . 1 . . . A 4 THR CB . 30127 1 20 . 1 1 4 4 THR CG2 C 13 22.691 0.200 . 1 . . . A 4 THR CG2 . 30127 1 21 . 1 1 5 5 VAL H H 1 7.810 0.010 . 1 . . . A 5 VAL H . 30127 1 22 . 1 1 5 5 VAL HG11 H 1 1.077 0.010 . 1 . . . A 5 VAL HG11 . 30127 1 23 . 1 1 5 5 VAL HG12 H 1 1.077 0.010 . 1 . . . A 5 VAL HG12 . 30127 1 24 . 1 1 5 5 VAL HG13 H 1 1.077 0.010 . 1 . . . A 5 VAL HG13 . 30127 1 25 . 1 1 5 5 VAL HG21 H 1 1.007 0.010 . 1 . . . A 5 VAL HG21 . 30127 1 26 . 1 1 5 5 VAL HG22 H 1 1.007 0.010 . 1 . . . A 5 VAL HG22 . 30127 1 27 . 1 1 5 5 VAL HG23 H 1 1.007 0.010 . 1 . . . A 5 VAL HG23 . 30127 1 28 . 1 1 5 5 VAL C C 13 177.744 0.200 . 1 . . . A 5 VAL C . 30127 1 29 . 1 1 5 5 VAL CA C 13 66.617 0.200 . 1 . . . A 5 VAL CA . 30127 1 30 . 1 1 5 5 VAL CB C 13 31.609 0.200 . 1 . . . A 5 VAL CB . 30127 1 31 . 1 1 5 5 VAL CG1 C 13 22.543 0.200 . 1 . . . A 5 VAL CG1 . 30127 1 32 . 1 1 5 5 VAL CG2 C 13 20.999 0.200 . 1 . . . A 5 VAL CG2 . 30127 1 33 . 1 1 5 5 VAL N N 15 121.124 0.200 . 1 . . . A 5 VAL N . 30127 1 34 . 1 1 6 6 GLU H H 1 8.129 0.010 . 1 . . . A 6 GLU H . 30127 1 35 . 1 1 6 6 GLU C C 13 178.402 0.200 . 1 . . . A 6 GLU C . 30127 1 36 . 1 1 6 6 GLU CA C 13 59.741 0.200 . 1 . . . A 6 GLU CA . 30127 1 37 . 1 1 6 6 GLU CB C 13 29.405 0.200 . 1 . . . A 6 GLU CB . 30127 1 38 . 1 1 6 6 GLU N N 15 120.125 0.200 . 1 . . . A 6 GLU N . 30127 1 39 . 1 1 7 7 PHE H H 1 7.891 0.010 . 1 . . . A 7 PHE H . 30127 1 40 . 1 1 7 7 PHE HB2 H 1 3.415 0.010 . 1 . . . A 7 PHE HB2 . 30127 1 41 . 1 1 7 7 PHE HB3 H 1 3.415 0.010 . 1 . . . A 7 PHE HB3 . 30127 1 42 . 1 1 7 7 PHE HD1 H 1 7.373 0.010 . 1 . . . A 7 PHE HD1 . 30127 1 43 . 1 1 7 7 PHE HD2 H 1 7.373 0.010 . 1 . . . A 7 PHE HD2 . 30127 1 44 . 1 1 7 7 PHE HE1 H 1 7.547 0.010 . 1 . . . A 7 PHE HE1 . 30127 1 45 . 1 1 7 7 PHE HE2 H 1 7.547 0.010 . 1 . . . A 7 PHE HE2 . 30127 1 46 . 1 1 7 7 PHE HZ H 1 7.578 0.010 . 1 . . . A 7 PHE HZ . 30127 1 47 . 1 1 7 7 PHE C C 13 176.624 0.200 . 1 . . . A 7 PHE C . 30127 1 48 . 1 1 7 7 PHE CA C 13 61.355 0.200 . 1 . . . A 7 PHE CA . 30127 1 49 . 1 1 7 7 PHE CB C 13 39.610 0.200 . 1 . . . A 7 PHE CB . 30127 1 50 . 1 1 7 7 PHE CD1 C 13 132.245 0.200 . 1 . . . A 7 PHE CD1 . 30127 1 51 . 1 1 7 7 PHE CD2 C 13 132.245 0.200 . 1 . . . A 7 PHE CD2 . 30127 1 52 . 1 1 7 7 PHE CE1 C 13 131.894 0.200 . 1 . . . A 7 PHE CE1 . 30127 1 53 . 1 1 7 7 PHE CE2 C 13 131.894 0.200 . 1 . . . A 7 PHE CE2 . 30127 1 54 . 1 1 7 7 PHE CZ C 13 130.795 0.200 . 1 . . . A 7 PHE CZ . 30127 1 55 . 1 1 7 7 PHE N N 15 120.421 0.200 . 1 . . . A 7 PHE N . 30127 1 56 . 1 1 8 8 ILE H H 1 8.079 0.010 . 1 . . . A 8 ILE H . 30127 1 57 . 1 1 8 8 ILE HD11 H 1 1.032 0.010 . 1 . . . A 8 ILE HD11 . 30127 1 58 . 1 1 8 8 ILE HD12 H 1 1.032 0.010 . 1 . . . A 8 ILE HD12 . 30127 1 59 . 1 1 8 8 ILE HD13 H 1 1.032 0.010 . 1 . . . A 8 ILE HD13 . 30127 1 60 . 1 1 8 8 ILE C C 13 177.949 0.200 . 1 . . . A 8 ILE C . 30127 1 61 . 1 1 8 8 ILE CA C 13 65.732 0.200 . 1 . . . A 8 ILE CA . 30127 1 62 . 1 1 8 8 ILE CB C 13 38.415 0.200 . 1 . . . A 8 ILE CB . 30127 1 63 . 1 1 8 8 ILE CD1 C 13 14.491 0.200 . 1 . . . A 8 ILE CD1 . 30127 1 64 . 1 1 8 8 ILE N N 15 117.548 0.200 . 1 . . . A 8 ILE N . 30127 1 65 . 1 1 9 9 ASN H H 1 8.510 0.010 . 1 . . . A 9 ASN H . 30127 1 66 . 1 1 9 9 ASN HD21 H 1 7.557 0.010 . 1 . . . A 9 ASN HD21 . 30127 1 67 . 1 1 9 9 ASN HD22 H 1 6.835 0.010 . 1 . . . A 9 ASN HD22 . 30127 1 68 . 1 1 9 9 ASN C C 13 178.037 0.200 . 1 . . . A 9 ASN C . 30127 1 69 . 1 1 9 9 ASN CA C 13 56.504 0.200 . 1 . . . A 9 ASN CA . 30127 1 70 . 1 1 9 9 ASN CB C 13 38.481 0.200 . 1 . . . A 9 ASN CB . 30127 1 71 . 1 1 9 9 ASN N N 15 117.362 0.200 . 1 . . . A 9 ASN N . 30127 1 72 . 1 1 9 9 ASN ND2 N 15 110.597 0.200 . 1 . . . A 9 ASN ND2 . 30127 1 73 . 1 1 10 10 ARG H H 1 8.346 0.010 . 1 . . . A 10 ARG H . 30127 1 74 . 1 1 10 10 ARG C C 13 179.209 0.200 . 1 . . . A 10 ARG C . 30127 1 75 . 1 1 10 10 ARG CA C 13 59.813 0.200 . 1 . . . A 10 ARG CA . 30127 1 76 . 1 1 10 10 ARG CB C 13 29.312 0.200 . 1 . . . A 10 ARG CB . 30127 1 77 . 1 1 10 10 ARG N N 15 119.505 0.200 . 1 . . . A 10 ARG N . 30127 1 78 . 1 1 11 11 TRP H H 1 7.207 0.010 . 1 . . . A 11 TRP H . 30127 1 79 . 1 1 11 11 TRP HB2 H 1 3.245 0.010 . 1 . . . A 11 TRP HB2 . 30127 1 80 . 1 1 11 11 TRP HB3 H 1 3.000 0.010 . 1 . . . A 11 TRP HB3 . 30127 1 81 . 1 1 11 11 TRP HD1 H 1 6.263 0.010 . 1 . . . A 11 TRP HD1 . 30127 1 82 . 1 1 11 11 TRP HE1 H 1 9.640 0.010 . 1 . . . A 11 TRP HE1 . 30127 1 83 . 1 1 11 11 TRP HE3 H 1 7.192 0.010 . 1 . . . A 11 TRP HE3 . 30127 1 84 . 1 1 11 11 TRP HZ2 H 1 7.426 0.010 . 1 . . . A 11 TRP HZ2 . 30127 1 85 . 1 1 11 11 TRP HZ3 H 1 7.643 0.010 . 1 . . . A 11 TRP HZ3 . 30127 1 86 . 1 1 11 11 TRP HH2 H 1 7.129 0.010 . 1 . . . A 11 TRP HH2 . 30127 1 87 . 1 1 11 11 TRP C C 13 177.832 0.200 . 1 . . . A 11 TRP C . 30127 1 88 . 1 1 11 11 TRP CA C 13 60.847 0.200 . 1 . . . A 11 TRP CA . 30127 1 89 . 1 1 11 11 TRP CB C 13 29.694 0.200 . 1 . . . A 11 TRP CB . 30127 1 90 . 1 1 11 11 TRP CD1 C 13 126.195 0.200 . 1 . . . A 11 TRP CD1 . 30127 1 91 . 1 1 11 11 TRP CE3 C 13 119.313 0.200 . 1 . . . A 11 TRP CE3 . 30127 1 92 . 1 1 11 11 TRP CZ2 C 13 114.890 0.200 . 1 . . . A 11 TRP CZ2 . 30127 1 93 . 1 1 11 11 TRP CZ3 C 13 121.168 0.200 . 1 . . . A 11 TRP CZ3 . 30127 1 94 . 1 1 11 11 TRP CH2 C 13 121.862 0.200 . 1 . . . A 11 TRP CH2 . 30127 1 95 . 1 1 11 11 TRP N N 15 119.707 0.200 . 1 . . . A 11 TRP N . 30127 1 96 . 1 1 11 11 TRP NE1 N 15 126.398 0.200 . 1 . . . A 11 TRP NE1 . 30127 1 97 . 1 1 12 12 GLN H H 1 8.538 0.010 . 1 . . . A 12 GLN H . 30127 1 98 . 1 1 12 12 GLN HE21 H 1 7.142 0.010 . 1 . . . A 12 GLN HE21 . 30127 1 99 . 1 1 12 12 GLN HE22 H 1 6.753 0.010 . 1 . . . A 12 GLN HE22 . 30127 1 100 . 1 1 12 12 GLN C C 13 178.418 0.200 . 1 . . . A 12 GLN C . 30127 1 101 . 1 1 12 12 GLN CA C 13 59.805 0.200 . 1 . . . A 12 GLN CA . 30127 1 102 . 1 1 12 12 GLN CB C 13 28.507 0.200 . 1 . . . A 12 GLN CB . 30127 1 103 . 1 1 12 12 GLN N N 15 121.026 0.200 . 1 . . . A 12 GLN N . 30127 1 104 . 1 1 12 12 GLN NE2 N 15 110.031 0.200 . 1 . . . A 12 GLN NE2 . 30127 1 105 . 1 1 13 13 ARG H H 1 8.099 0.010 . 1 . . . A 13 ARG H . 30127 1 106 . 1 1 13 13 ARG C C 13 179.437 0.200 . 1 . . . A 13 ARG C . 30127 1 107 . 1 1 13 13 ARG CA C 13 59.673 0.200 . 1 . . . A 13 ARG CA . 30127 1 108 . 1 1 13 13 ARG CB C 13 29.306 0.200 . 1 . . . A 13 ARG CB . 30127 1 109 . 1 1 13 13 ARG N N 15 117.001 0.200 . 1 . . . A 13 ARG N . 30127 1 110 . 1 1 14 14 ILE H H 1 7.656 0.010 . 1 . . . A 14 ILE H . 30127 1 111 . 1 1 14 14 ILE HD11 H 1 0.306 0.010 . 1 . . . A 14 ILE HD11 . 30127 1 112 . 1 1 14 14 ILE HD12 H 1 0.306 0.010 . 1 . . . A 14 ILE HD12 . 30127 1 113 . 1 1 14 14 ILE HD13 H 1 0.306 0.010 . 1 . . . A 14 ILE HD13 . 30127 1 114 . 1 1 14 14 ILE CA C 13 63.163 0.200 . 1 . . . A 14 ILE CA . 30127 1 115 . 1 1 14 14 ILE CB C 13 37.925 0.200 . 1 . . . A 14 ILE CB . 30127 1 116 . 1 1 14 14 ILE CD1 C 13 13.803 0.200 . 1 . . . A 14 ILE CD1 . 30127 1 117 . 1 1 14 14 ILE N N 15 119.621 0.200 . 1 . . . A 14 ILE N . 30127 1 118 . 1 1 15 15 ALA H H 1 8.352 0.010 . 1 . . . A 15 ALA H . 30127 1 119 . 1 1 15 15 ALA HB1 H 1 1.708 0.010 . 1 . . . A 15 ALA HB1 . 30127 1 120 . 1 1 15 15 ALA HB2 H 1 1.708 0.010 . 1 . . . A 15 ALA HB2 . 30127 1 121 . 1 1 15 15 ALA HB3 H 1 1.708 0.010 . 1 . . . A 15 ALA HB3 . 30127 1 122 . 1 1 15 15 ALA C C 13 181.168 0.200 . 1 . . . A 15 ALA C . 30127 1 123 . 1 1 15 15 ALA CA C 13 56.565 0.200 . 1 . . . A 15 ALA CA . 30127 1 124 . 1 1 15 15 ALA CB C 13 17.866 0.200 . 1 . . . A 15 ALA CB . 30127 1 125 . 1 1 15 15 ALA N N 15 129.467 0.200 . 1 . . . A 15 ALA N . 30127 1 126 . 1 1 16 16 LEU H H 1 8.092 0.010 . 1 . . . A 16 LEU H . 30127 1 127 . 1 1 16 16 LEU HD11 H 1 0.879 0.010 . 1 . . . A 16 LEU HD11 . 30127 1 128 . 1 1 16 16 LEU HD12 H 1 0.879 0.010 . 1 . . . A 16 LEU HD12 . 30127 1 129 . 1 1 16 16 LEU HD13 H 1 0.879 0.010 . 1 . . . A 16 LEU HD13 . 30127 1 130 . 1 1 16 16 LEU HD21 H 1 0.899 0.010 . 1 . . . A 16 LEU HD21 . 30127 1 131 . 1 1 16 16 LEU HD22 H 1 0.899 0.010 . 1 . . . A 16 LEU HD22 . 30127 1 132 . 1 1 16 16 LEU HD23 H 1 0.899 0.010 . 1 . . . A 16 LEU HD23 . 30127 1 133 . 1 1 16 16 LEU C C 13 180.440 0.200 . 1 . . . A 16 LEU C . 30127 1 134 . 1 1 16 16 LEU CA C 13 58.348 0.200 . 1 . . . A 16 LEU CA . 30127 1 135 . 1 1 16 16 LEU CB C 13 41.434 0.200 . 1 . . . A 16 LEU CB . 30127 1 136 . 1 1 16 16 LEU CD1 C 13 24.709 0.200 . 1 . . . A 16 LEU CD1 . 30127 1 137 . 1 1 16 16 LEU CD2 C 13 23.311 0.200 . 1 . . . A 16 LEU CD2 . 30127 1 138 . 1 1 16 16 LEU N N 15 119.886 0.200 . 1 . . . A 16 LEU N . 30127 1 139 . 1 1 17 17 LEU H H 1 8.641 0.010 . 1 . . . A 17 LEU H . 30127 1 140 . 1 1 17 17 LEU HD11 H 1 0.952 0.010 . 1 . . . A 17 LEU HD11 . 30127 1 141 . 1 1 17 17 LEU HD12 H 1 0.952 0.010 . 1 . . . A 17 LEU HD12 . 30127 1 142 . 1 1 17 17 LEU HD13 H 1 0.952 0.010 . 1 . . . A 17 LEU HD13 . 30127 1 143 . 1 1 17 17 LEU HD21 H 1 0.961 0.010 . 1 . . . A 17 LEU HD21 . 30127 1 144 . 1 1 17 17 LEU HD22 H 1 0.961 0.010 . 1 . . . A 17 LEU HD22 . 30127 1 145 . 1 1 17 17 LEU HD23 H 1 0.961 0.010 . 1 . . . A 17 LEU HD23 . 30127 1 146 . 1 1 17 17 LEU C C 13 179.151 0.200 . 1 . . . A 17 LEU C . 30127 1 147 . 1 1 17 17 LEU CA C 13 58.106 0.200 . 1 . . . A 17 LEU CA . 30127 1 148 . 1 1 17 17 LEU CB C 13 42.069 0.200 . 1 . . . A 17 LEU CB . 30127 1 149 . 1 1 17 17 LEU CD1 C 13 24.938 0.200 . 1 . . . A 17 LEU CD1 . 30127 1 150 . 1 1 17 17 LEU CD2 C 13 23.729 0.200 . 1 . . . A 17 LEU CD2 . 30127 1 151 . 1 1 17 17 LEU N N 15 121.925 0.200 . 1 . . . A 17 LEU N . 30127 1 152 . 1 1 18 18 SER H H 1 8.828 0.010 . 1 . . . A 18 SER H . 30127 1 153 . 1 1 18 18 SER C C 13 175.274 0.200 . 1 . . . A 18 SER C . 30127 1 154 . 1 1 18 18 SER CA C 13 63.316 0.200 . 1 . . . A 18 SER CA . 30127 1 155 . 1 1 18 18 SER CB C 13 64.384 0.200 . 1 . . . A 18 SER CB . 30127 1 156 . 1 1 18 18 SER N N 15 114.889 0.200 . 1 . . . A 18 SER N . 30127 1 157 . 1 1 19 19 GLN H H 1 7.575 0.010 . 1 . . . A 19 GLN H . 30127 1 158 . 1 1 19 19 GLN HE21 H 1 7.294 0.010 . 1 . . . A 19 GLN HE21 . 30127 1 159 . 1 1 19 19 GLN HE22 H 1 6.818 0.010 . 1 . . . A 19 GLN HE22 . 30127 1 160 . 1 1 19 19 GLN C C 13 177.598 0.200 . 1 . . . A 19 GLN C . 30127 1 161 . 1 1 19 19 GLN CA C 13 59.274 0.200 . 1 . . . A 19 GLN CA . 30127 1 162 . 1 1 19 19 GLN CB C 13 28.666 0.200 . 1 . . . A 19 GLN CB . 30127 1 163 . 1 1 19 19 GLN N N 15 122.140 0.200 . 1 . . . A 19 GLN N . 30127 1 164 . 1 1 19 19 GLN NE2 N 15 110.162 0.200 . 1 . . . A 19 GLN NE2 . 30127 1 165 . 1 1 20 20 SER H H 1 8.214 0.010 . 1 . . . A 20 SER H . 30127 1 166 . 1 1 20 20 SER C C 13 177.351 0.200 . 1 . . . A 20 SER C . 30127 1 167 . 1 1 20 20 SER CA C 13 61.828 0.200 . 1 . . . A 20 SER CA . 30127 1 168 . 1 1 20 20 SER CB C 13 62.904 0.200 . 1 . . . A 20 SER CB . 30127 1 169 . 1 1 20 20 SER N N 15 116.072 0.200 . 1 . . . A 20 SER N . 30127 1 170 . 1 1 21 21 LEU H H 1 8.575 0.010 . 1 . . . A 21 LEU H . 30127 1 171 . 1 1 21 21 LEU HD11 H 1 0.431 0.010 . 1 . . . A 21 LEU HD11 . 30127 1 172 . 1 1 21 21 LEU HD12 H 1 0.431 0.010 . 1 . . . A 21 LEU HD12 . 30127 1 173 . 1 1 21 21 LEU HD13 H 1 0.431 0.010 . 1 . . . A 21 LEU HD13 . 30127 1 174 . 1 1 21 21 LEU HD21 H 1 0.747 0.010 . 1 . . . A 21 LEU HD21 . 30127 1 175 . 1 1 21 21 LEU HD22 H 1 0.747 0.010 . 1 . . . A 21 LEU HD22 . 30127 1 176 . 1 1 21 21 LEU HD23 H 1 0.747 0.010 . 1 . . . A 21 LEU HD23 . 30127 1 177 . 1 1 21 21 LEU C C 13 178.330 0.200 . 1 . . . A 21 LEU C . 30127 1 178 . 1 1 21 21 LEU CA C 13 58.204 0.200 . 1 . . . A 21 LEU CA . 30127 1 179 . 1 1 21 21 LEU CB C 13 40.240 0.200 . 1 . . . A 21 LEU CB . 30127 1 180 . 1 1 21 21 LEU CD1 C 13 25.474 0.200 . 1 . . . A 21 LEU CD1 . 30127 1 181 . 1 1 21 21 LEU CD2 C 13 23.071 0.200 . 1 . . . A 21 LEU CD2 . 30127 1 182 . 1 1 21 21 LEU N N 15 120.726 0.200 . 1 . . . A 21 LEU N . 30127 1 183 . 1 1 22 22 LEU H H 1 7.549 0.010 . 1 . . . A 22 LEU H . 30127 1 184 . 1 1 22 22 LEU HD11 H 1 1.006 0.010 . 1 . . . A 22 LEU HD11 . 30127 1 185 . 1 1 22 22 LEU HD12 H 1 1.006 0.010 . 1 . . . A 22 LEU HD12 . 30127 1 186 . 1 1 22 22 LEU HD13 H 1 1.006 0.010 . 1 . . . A 22 LEU HD13 . 30127 1 187 . 1 1 22 22 LEU HD21 H 1 0.876 0.010 . 1 . . . A 22 LEU HD21 . 30127 1 188 . 1 1 22 22 LEU HD22 H 1 0.876 0.010 . 1 . . . A 22 LEU HD22 . 30127 1 189 . 1 1 22 22 LEU HD23 H 1 0.876 0.010 . 1 . . . A 22 LEU HD23 . 30127 1 190 . 1 1 22 22 LEU C C 13 178.125 0.200 . 1 . . . A 22 LEU C . 30127 1 191 . 1 1 22 22 LEU CA C 13 58.519 0.200 . 1 . . . A 22 LEU CA . 30127 1 192 . 1 1 22 22 LEU CB C 13 40.791 0.200 . 1 . . . A 22 LEU CB . 30127 1 193 . 1 1 22 22 LEU CD1 C 13 26.371 0.200 . 1 . . . A 22 LEU CD1 . 30127 1 194 . 1 1 22 22 LEU CD2 C 13 23.784 0.200 . 1 . . . A 22 LEU CD2 . 30127 1 195 . 1 1 22 22 LEU N N 15 119.086 0.200 . 1 . . . A 22 LEU N . 30127 1 196 . 1 1 23 23 GLU H H 1 7.741 0.010 . 1 . . . A 23 GLU H . 30127 1 197 . 1 1 23 23 GLU C C 13 179.268 0.200 . 1 . . . A 23 GLU C . 30127 1 198 . 1 1 23 23 GLU CA C 13 59.887 0.200 . 1 . . . A 23 GLU CA . 30127 1 199 . 1 1 23 23 GLU CB C 13 28.849 0.200 . 1 . . . A 23 GLU CB . 30127 1 200 . 1 1 23 23 GLU N N 15 117.762 0.200 . 1 . . . A 23 GLU N . 30127 1 201 . 1 1 24 24 LEU H H 1 7.492 0.010 . 1 . . . A 24 LEU H . 30127 1 202 . 1 1 24 24 LEU HD11 H 1 0.692 0.010 . 1 . . . A 24 LEU HD11 . 30127 1 203 . 1 1 24 24 LEU HD12 H 1 0.692 0.010 . 1 . . . A 24 LEU HD12 . 30127 1 204 . 1 1 24 24 LEU HD13 H 1 0.692 0.010 . 1 . . . A 24 LEU HD13 . 30127 1 205 . 1 1 24 24 LEU HD21 H 1 0.772 0.010 . 1 . . . A 24 LEU HD21 . 30127 1 206 . 1 1 24 24 LEU HD22 H 1 0.772 0.010 . 1 . . . A 24 LEU HD22 . 30127 1 207 . 1 1 24 24 LEU HD23 H 1 0.772 0.010 . 1 . . . A 24 LEU HD23 . 30127 1 208 . 1 1 24 24 LEU C C 13 179.004 0.200 . 1 . . . A 24 LEU C . 30127 1 209 . 1 1 24 24 LEU CA C 13 58.207 0.200 . 1 . . . A 24 LEU CA . 30127 1 210 . 1 1 24 24 LEU CB C 13 41.591 0.200 . 1 . . . A 24 LEU CB . 30127 1 211 . 1 1 24 24 LEU CD1 C 13 25.279 0.200 . 1 . . . A 24 LEU CD1 . 30127 1 212 . 1 1 24 24 LEU CD2 C 13 22.551 0.200 . 1 . . . A 24 LEU CD2 . 30127 1 213 . 1 1 24 24 LEU N N 15 117.222 0.200 . 1 . . . A 24 LEU N . 30127 1 214 . 1 1 25 25 ALA H H 1 7.919 0.010 . 1 . . . A 25 ALA H . 30127 1 215 . 1 1 25 25 ALA HB1 H 1 1.129 0.010 . 1 . . . A 25 ALA HB1 . 30127 1 216 . 1 1 25 25 ALA HB2 H 1 1.129 0.010 . 1 . . . A 25 ALA HB2 . 30127 1 217 . 1 1 25 25 ALA HB3 H 1 1.129 0.010 . 1 . . . A 25 ALA HB3 . 30127 1 218 . 1 1 25 25 ALA C C 13 180.751 0.200 . 1 . . . A 25 ALA C . 30127 1 219 . 1 1 25 25 ALA CA C 13 54.965 0.200 . 1 . . . A 25 ALA CA . 30127 1 220 . 1 1 25 25 ALA CB C 13 18.607 0.200 . 1 . . . A 25 ALA CB . 30127 1 221 . 1 1 25 25 ALA N N 15 121.345 0.200 . 1 . . . A 25 ALA N . 30127 1 222 . 1 1 26 26 GLN H H 1 8.680 0.010 . 1 . . . A 26 GLN H . 30127 1 223 . 1 1 26 26 GLN HE21 H 1 7.292 0.010 . 1 . . . A 26 GLN HE21 . 30127 1 224 . 1 1 26 26 GLN HE22 H 1 6.793 0.010 . 1 . . . A 26 GLN HE22 . 30127 1 225 . 1 1 26 26 GLN C C 13 178.184 0.200 . 1 . . . A 26 GLN C . 30127 1 226 . 1 1 26 26 GLN CA C 13 59.126 0.200 . 1 . . . A 26 GLN CA . 30127 1 227 . 1 1 26 26 GLN CB C 13 28.155 0.200 . 1 . . . A 26 GLN CB . 30127 1 228 . 1 1 26 26 GLN N N 15 118.658 0.200 . 1 . . . A 26 GLN N . 30127 1 229 . 1 1 26 26 GLN NE2 N 15 109.444 0.200 . 1 . . . A 26 GLN NE2 . 30127 1 230 . 1 1 27 27 ARG H H 1 7.392 0.010 . 1 . . . A 27 ARG H . 30127 1 231 . 1 1 27 27 ARG C C 13 176.319 0.200 . 1 . . . A 27 ARG C . 30127 1 232 . 1 1 27 27 ARG CA C 13 56.552 0.200 . 1 . . . A 27 ARG CA . 30127 1 233 . 1 1 27 27 ARG CB C 13 30.939 0.200 . 1 . . . A 27 ARG CB . 30127 1 234 . 1 1 27 27 ARG N N 15 115.513 0.200 . 1 . . . A 27 ARG N . 30127 1 235 . 1 1 28 28 GLY H H 1 7.475 0.010 . 1 . . . A 28 GLY H . 30127 1 236 . 1 1 28 28 GLY C C 13 175.195 0.200 . 1 . . . A 28 GLY C . 30127 1 237 . 1 1 28 28 GLY CA C 13 45.943 0.200 . 1 . . . A 28 GLY CA . 30127 1 238 . 1 1 28 28 GLY N N 15 108.928 0.200 . 1 . . . A 28 GLY N . 30127 1 239 . 1 1 29 29 GLU H H 1 7.714 0.010 . 1 . . . A 29 GLU H . 30127 1 240 . 1 1 29 29 GLU C C 13 176.777 0.200 . 1 . . . A 29 GLU C . 30127 1 241 . 1 1 29 29 GLU CA C 13 54.216 0.200 . 1 . . . A 29 GLU CA . 30127 1 242 . 1 1 29 29 GLU CB C 13 26.829 0.200 . 1 . . . A 29 GLU CB . 30127 1 243 . 1 1 29 29 GLU N N 15 122.511 0.200 . 1 . . . A 29 GLU N . 30127 1 244 . 1 1 30 30 TRP H H 1 7.133 0.010 . 1 . . . A 30 TRP H . 30127 1 245 . 1 1 30 30 TRP HB2 H 1 3.227 0.010 . 1 . . . A 30 TRP HB2 . 30127 1 246 . 1 1 30 30 TRP HB3 H 1 3.073 0.010 . 1 . . . A 30 TRP HB3 . 30127 1 247 . 1 1 30 30 TRP HD1 H 1 7.289 0.010 . 1 . . . A 30 TRP HD1 . 30127 1 248 . 1 1 30 30 TRP HE1 H 1 10.672 0.010 . 1 . . . A 30 TRP HE1 . 30127 1 249 . 1 1 30 30 TRP HE3 H 1 7.383 0.010 . 1 . . . A 30 TRP HE3 . 30127 1 250 . 1 1 30 30 TRP HZ2 H 1 7.540 0.010 . 1 . . . A 30 TRP HZ2 . 30127 1 251 . 1 1 30 30 TRP HZ3 H 1 6.588 0.010 . 1 . . . A 30 TRP HZ3 . 30127 1 252 . 1 1 30 30 TRP HH2 H 1 6.828 0.010 . 1 . . . A 30 TRP HH2 . 30127 1 253 . 1 1 30 30 TRP C C 13 177.773 0.200 . 1 . . . A 30 TRP C . 30127 1 254 . 1 1 30 30 TRP CA C 13 60.200 0.200 . 1 . . . A 30 TRP CA . 30127 1 255 . 1 1 30 30 TRP CB C 13 29.595 0.200 . 1 . . . A 30 TRP CB . 30127 1 256 . 1 1 30 30 TRP CD1 C 13 128.212 0.200 . 1 . . . A 30 TRP CD1 . 30127 1 257 . 1 1 30 30 TRP CE3 C 13 119.189 0.200 . 1 . . . A 30 TRP CE3 . 30127 1 258 . 1 1 30 30 TRP CZ2 C 13 114.947 0.200 . 1 . . . A 30 TRP CZ2 . 30127 1 259 . 1 1 30 30 TRP CZ3 C 13 120.846 0.200 . 1 . . . A 30 TRP CZ3 . 30127 1 260 . 1 1 30 30 TRP CH2 C 13 124.243 0.200 . 1 . . . A 30 TRP CH2 . 30127 1 261 . 1 1 30 30 TRP N N 15 119.670 0.200 . 1 . . . A 30 TRP N . 30127 1 262 . 1 1 30 30 TRP NE1 N 15 129.357 0.200 . 1 . . . A 30 TRP NE1 . 30127 1 263 . 1 1 31 31 ASP H H 1 8.435 0.010 . 1 . . . A 31 ASP H . 30127 1 264 . 1 1 31 31 ASP C C 13 179.180 0.200 . 1 . . . A 31 ASP C . 30127 1 265 . 1 1 31 31 ASP CA C 13 58.213 0.200 . 1 . . . A 31 ASP CA . 30127 1 266 . 1 1 31 31 ASP CB C 13 40.300 0.200 . 1 . . . A 31 ASP CB . 30127 1 267 . 1 1 31 31 ASP N N 15 117.207 0.200 . 1 . . . A 31 ASP N . 30127 1 268 . 1 1 32 32 LEU H H 1 7.838 0.010 . 1 . . . A 32 LEU H . 30127 1 269 . 1 1 32 32 LEU HD11 H 1 0.847 0.010 . 1 . . . A 32 LEU HD11 . 30127 1 270 . 1 1 32 32 LEU HD12 H 1 0.847 0.010 . 1 . . . A 32 LEU HD12 . 30127 1 271 . 1 1 32 32 LEU HD13 H 1 0.847 0.010 . 1 . . . A 32 LEU HD13 . 30127 1 272 . 1 1 32 32 LEU HD21 H 1 0.818 0.010 . 1 . . . A 32 LEU HD21 . 30127 1 273 . 1 1 32 32 LEU HD22 H 1 0.818 0.010 . 1 . . . A 32 LEU HD22 . 30127 1 274 . 1 1 32 32 LEU HD23 H 1 0.818 0.010 . 1 . . . A 32 LEU HD23 . 30127 1 275 . 1 1 32 32 LEU C C 13 179.707 0.200 . 1 . . . A 32 LEU C . 30127 1 276 . 1 1 32 32 LEU CA C 13 57.969 0.200 . 1 . . . A 32 LEU CA . 30127 1 277 . 1 1 32 32 LEU CB C 13 41.724 0.200 . 1 . . . A 32 LEU CB . 30127 1 278 . 1 1 32 32 LEU CD1 C 13 24.432 0.200 . 1 . . . A 32 LEU CD1 . 30127 1 279 . 1 1 32 32 LEU CD2 C 13 23.141 0.200 . 1 . . . A 32 LEU CD2 . 30127 1 280 . 1 1 32 32 LEU N N 15 119.590 0.200 . 1 . . . A 32 LEU N . 30127 1 281 . 1 1 33 33 LEU H H 1 7.926 0.010 . 1 . . . A 33 LEU H . 30127 1 282 . 1 1 33 33 LEU HD11 H 1 0.653 0.010 . 1 . . . A 33 LEU HD11 . 30127 1 283 . 1 1 33 33 LEU HD12 H 1 0.653 0.010 . 1 . . . A 33 LEU HD12 . 30127 1 284 . 1 1 33 33 LEU HD13 H 1 0.653 0.010 . 1 . . . A 33 LEU HD13 . 30127 1 285 . 1 1 33 33 LEU HD21 H 1 0.300 0.010 . 1 . . . A 33 LEU HD21 . 30127 1 286 . 1 1 33 33 LEU HD22 H 1 0.300 0.010 . 1 . . . A 33 LEU HD22 . 30127 1 287 . 1 1 33 33 LEU HD23 H 1 0.300 0.010 . 1 . . . A 33 LEU HD23 . 30127 1 288 . 1 1 33 33 LEU C C 13 178.828 0.200 . 1 . . . A 33 LEU C . 30127 1 289 . 1 1 33 33 LEU CA C 13 60.012 0.200 . 1 . . . A 33 LEU CA . 30127 1 290 . 1 1 33 33 LEU CB C 13 41.969 0.200 . 1 . . . A 33 LEU CB . 30127 1 291 . 1 1 33 33 LEU CD1 C 13 26.952 0.200 . 1 . . . A 33 LEU CD1 . 30127 1 292 . 1 1 33 33 LEU CD2 C 13 25.800 0.200 . 1 . . . A 33 LEU CD2 . 30127 1 293 . 1 1 33 33 LEU N N 15 121.279 0.200 . 1 . . . A 33 LEU N . 30127 1 294 . 1 1 34 34 LEU H H 1 8.491 0.010 . 1 . . . A 34 LEU H . 30127 1 295 . 1 1 34 34 LEU HD11 H 1 0.882 0.010 . 1 . . . A 34 LEU HD11 . 30127 1 296 . 1 1 34 34 LEU HD12 H 1 0.882 0.010 . 1 . . . A 34 LEU HD12 . 30127 1 297 . 1 1 34 34 LEU HD13 H 1 0.882 0.010 . 1 . . . A 34 LEU HD13 . 30127 1 298 . 1 1 34 34 LEU HD21 H 1 0.819 0.010 . 1 . . . A 34 LEU HD21 . 30127 1 299 . 1 1 34 34 LEU HD22 H 1 0.819 0.010 . 1 . . . A 34 LEU HD22 . 30127 1 300 . 1 1 34 34 LEU HD23 H 1 0.819 0.010 . 1 . . . A 34 LEU HD23 . 30127 1 301 . 1 1 34 34 LEU C C 13 180.296 0.200 . 1 . . . A 34 LEU C . 30127 1 302 . 1 1 34 34 LEU CA C 13 58.089 0.200 . 1 . . . A 34 LEU CA . 30127 1 303 . 1 1 34 34 LEU CB C 13 40.591 0.200 . 1 . . . A 34 LEU CB . 30127 1 304 . 1 1 34 34 LEU CD1 C 13 25.167 0.200 . 1 . . . A 34 LEU CD1 . 30127 1 305 . 1 1 34 34 LEU CD2 C 13 22.927 0.200 . 1 . . . A 34 LEU CD2 . 30127 1 306 . 1 1 34 34 LEU N N 15 117.375 0.200 . 1 . . . A 34 LEU N . 30127 1 307 . 1 1 35 35 GLN H H 1 7.671 0.010 . 1 . . . A 35 GLN H . 30127 1 308 . 1 1 35 35 GLN HE21 H 1 7.388 0.010 . 1 . . . A 35 GLN HE21 . 30127 1 309 . 1 1 35 35 GLN HE22 H 1 6.735 0.010 . 1 . . . A 35 GLN HE22 . 30127 1 310 . 1 1 35 35 GLN C C 13 177.698 0.200 . 1 . . . A 35 GLN C . 30127 1 311 . 1 1 35 35 GLN CA C 13 58.351 0.200 . 1 . . . A 35 GLN CA . 30127 1 312 . 1 1 35 35 GLN CB C 13 28.437 0.200 . 1 . . . A 35 GLN CB . 30127 1 313 . 1 1 35 35 GLN N N 15 117.500 0.200 . 1 . . . A 35 GLN N . 30127 1 314 . 1 1 35 35 GLN NE2 N 15 111.487 0.200 . 1 . . . A 35 GLN NE2 . 30127 1 315 . 1 1 36 36 GLN H H 1 8.024 0.010 . 1 . . . A 36 GLN H . 30127 1 316 . 1 1 36 36 GLN HE21 H 1 7.344 0.010 . 1 . . . A 36 GLN HE21 . 30127 1 317 . 1 1 36 36 GLN HE22 H 1 6.711 0.010 . 1 . . . A 36 GLN HE22 . 30127 1 318 . 1 1 36 36 GLN C C 13 174.882 0.200 . 1 . . . A 36 GLN C . 30127 1 319 . 1 1 36 36 GLN CA C 13 55.262 0.200 . 1 . . . A 36 GLN CA . 30127 1 320 . 1 1 36 36 GLN CB C 13 28.229 0.200 . 1 . . . A 36 GLN CB . 30127 1 321 . 1 1 36 36 GLN N N 15 117.512 0.200 . 1 . . . A 36 GLN N . 30127 1 322 . 1 1 36 36 GLN NE2 N 15 111.727 0.200 . 1 . . . A 36 GLN NE2 . 30127 1 323 . 1 1 37 37 GLU H H 1 7.440 0.010 . 1 . . . A 37 GLU H . 30127 1 324 . 1 1 37 37 GLU C C 13 176.674 0.200 . 1 . . . A 37 GLU C . 30127 1 325 . 1 1 37 37 GLU CA C 13 60.905 0.200 . 1 . . . A 37 GLU CA . 30127 1 326 . 1 1 37 37 GLU CB C 13 31.282 0.200 . 1 . . . A 37 GLU CB . 30127 1 327 . 1 1 37 37 GLU N N 15 120.127 0.200 . 1 . . . A 37 GLU N . 30127 1 328 . 1 1 38 38 VAL H H 1 8.282 0.010 . 1 . . . A 38 VAL H . 30127 1 329 . 1 1 38 38 VAL HG11 H 1 0.967 0.010 . 1 . . . A 38 VAL HG11 . 30127 1 330 . 1 1 38 38 VAL HG12 H 1 0.967 0.010 . 1 . . . A 38 VAL HG12 . 30127 1 331 . 1 1 38 38 VAL HG13 H 1 0.967 0.010 . 1 . . . A 38 VAL HG13 . 30127 1 332 . 1 1 38 38 VAL HG21 H 1 0.823 0.010 . 1 . . . A 38 VAL HG21 . 30127 1 333 . 1 1 38 38 VAL HG22 H 1 0.823 0.010 . 1 . . . A 38 VAL HG22 . 30127 1 334 . 1 1 38 38 VAL HG23 H 1 0.823 0.010 . 1 . . . A 38 VAL HG23 . 30127 1 335 . 1 1 38 38 VAL C C 13 178.426 0.200 . 1 . . . A 38 VAL C . 30127 1 336 . 1 1 38 38 VAL CA C 13 66.930 0.200 . 1 . . . A 38 VAL CA . 30127 1 337 . 1 1 38 38 VAL CB C 13 30.780 0.200 . 1 . . . A 38 VAL CB . 30127 1 338 . 1 1 38 38 VAL CG1 C 13 22.475 0.200 . 1 . . . A 38 VAL CG1 . 30127 1 339 . 1 1 38 38 VAL CG2 C 13 20.607 0.200 . 1 . . . A 38 VAL CG2 . 30127 1 340 . 1 1 38 38 VAL N N 15 117.159 0.200 . 1 . . . A 38 VAL N . 30127 1 341 . 1 1 39 39 SER H H 1 7.983 0.010 . 1 . . . A 39 SER H . 30127 1 342 . 1 1 39 39 SER C C 13 177.158 0.200 . 1 . . . A 39 SER C . 30127 1 343 . 1 1 39 39 SER CA C 13 61.280 0.200 . 1 . . . A 39 SER CA . 30127 1 344 . 1 1 39 39 SER CB C 13 62.965 0.200 . 1 . . . A 39 SER CB . 30127 1 345 . 1 1 39 39 SER N N 15 113.749 0.200 . 1 . . . A 39 SER N . 30127 1 346 . 1 1 40 40 TYR H H 1 8.579 0.010 . 1 . . . A 40 TYR H . 30127 1 347 . 1 1 40 40 TYR HB2 H 1 2.958 0.010 . 1 . . . A 40 TYR HB2 . 30127 1 348 . 1 1 40 40 TYR HB3 H 1 2.606 0.010 . 1 . . . A 40 TYR HB3 . 30127 1 349 . 1 1 40 40 TYR HD1 H 1 6.721 0.010 . 1 . . . A 40 TYR HD1 . 30127 1 350 . 1 1 40 40 TYR HD2 H 1 6.721 0.010 . 1 . . . A 40 TYR HD2 . 30127 1 351 . 1 1 40 40 TYR HE1 H 1 6.570 0.010 . 1 . . . A 40 TYR HE1 . 30127 1 352 . 1 1 40 40 TYR HE2 H 1 6.570 0.010 . 1 . . . A 40 TYR HE2 . 30127 1 353 . 1 1 40 40 TYR CA C 13 61.285 0.200 . 1 . . . A 40 TYR CA . 30127 1 354 . 1 1 40 40 TYR CB C 13 39.478 0.200 . 1 . . . A 40 TYR CB . 30127 1 355 . 1 1 40 40 TYR CD1 C 13 132.607 0.200 . 1 . . . A 40 TYR CD1 . 30127 1 356 . 1 1 40 40 TYR CD2 C 13 132.607 0.200 . 1 . . . A 40 TYR CD2 . 30127 1 357 . 1 1 40 40 TYR CE1 C 13 117.314 0.200 . 1 . . . A 40 TYR CE1 . 30127 1 358 . 1 1 40 40 TYR CE2 C 13 117.314 0.200 . 1 . . . A 40 TYR CE2 . 30127 1 359 . 1 1 40 40 TYR N N 15 122.602 0.200 . 1 . . . A 40 TYR N . 30127 1 360 . 1 1 41 41 LEU H H 1 8.426 0.010 . 1 . . . A 41 LEU H . 30127 1 361 . 1 1 41 41 LEU HD11 H 1 0.360 0.010 . 1 . . . A 41 LEU HD11 . 30127 1 362 . 1 1 41 41 LEU HD12 H 1 0.360 0.010 . 1 . . . A 41 LEU HD12 . 30127 1 363 . 1 1 41 41 LEU HD13 H 1 0.360 0.010 . 1 . . . A 41 LEU HD13 . 30127 1 364 . 1 1 41 41 LEU HD21 H 1 0.421 0.010 . 1 . . . A 41 LEU HD21 . 30127 1 365 . 1 1 41 41 LEU HD22 H 1 0.421 0.010 . 1 . . . A 41 LEU HD22 . 30127 1 366 . 1 1 41 41 LEU HD23 H 1 0.421 0.010 . 1 . . . A 41 LEU HD23 . 30127 1 367 . 1 1 41 41 LEU C C 13 180.259 0.200 . 1 . . . A 41 LEU C . 30127 1 368 . 1 1 41 41 LEU CA C 13 58.252 0.200 . 1 . . . A 41 LEU CA . 30127 1 369 . 1 1 41 41 LEU CB C 13 39.117 0.200 . 1 . . . A 41 LEU CB . 30127 1 370 . 1 1 41 41 LEU CD1 C 13 24.616 0.200 . 1 . . . A 41 LEU CD1 . 30127 1 371 . 1 1 41 41 LEU CD2 C 13 21.766 0.200 . 1 . . . A 41 LEU CD2 . 30127 1 372 . 1 1 41 41 LEU N N 15 117.192 0.200 . 1 . . . A 41 LEU N . 30127 1 373 . 1 1 42 42 GLN H H 1 8.045 0.010 . 1 . . . A 42 GLN H . 30127 1 374 . 1 1 42 42 GLN C C 13 179.033 0.200 . 1 . . . A 42 GLN C . 30127 1 375 . 1 1 42 42 GLN CA C 13 59.041 0.200 . 1 . . . A 42 GLN CA . 30127 1 376 . 1 1 42 42 GLN CB C 13 27.892 0.200 . 1 . . . A 42 GLN CB . 30127 1 377 . 1 1 42 42 GLN N N 15 116.953 0.200 . 1 . . . A 42 GLN N . 30127 1 378 . 1 1 43 43 SER H H 1 7.553 0.010 . 1 . . . A 43 SER H . 30127 1 379 . 1 1 43 43 SER C C 13 176.426 0.200 . 1 . . . A 43 SER C . 30127 1 380 . 1 1 43 43 SER CA C 13 62.808 0.200 . 1 . . . A 43 SER CA . 30127 1 381 . 1 1 43 43 SER CB C 13 63.447 0.200 . 1 . . . A 43 SER CB . 30127 1 382 . 1 1 43 43 SER N N 15 116.820 0.200 . 1 . . . A 43 SER N . 30127 1 383 . 1 1 44 44 ILE H H 1 7.684 0.010 . 1 . . . A 44 ILE H . 30127 1 384 . 1 1 44 44 ILE HD11 H 1 0.036 0.010 . 1 . . . A 44 ILE HD11 . 30127 1 385 . 1 1 44 44 ILE HD12 H 1 0.036 0.010 . 1 . . . A 44 ILE HD12 . 30127 1 386 . 1 1 44 44 ILE HD13 H 1 0.036 0.010 . 1 . . . A 44 ILE HD13 . 30127 1 387 . 1 1 44 44 ILE C C 13 177.012 0.200 . 1 . . . A 44 ILE C . 30127 1 388 . 1 1 44 44 ILE CA C 13 64.380 0.200 . 1 . . . A 44 ILE CA . 30127 1 389 . 1 1 44 44 ILE CB C 13 36.627 0.200 . 1 . . . A 44 ILE CB . 30127 1 390 . 1 1 44 44 ILE CD1 C 13 12.041 0.200 . 1 . . . A 44 ILE CD1 . 30127 1 391 . 1 1 44 44 ILE N N 15 119.850 0.200 . 1 . . . A 44 ILE N . 30127 1 392 . 1 1 45 45 GLU H H 1 7.480 0.010 . 1 . . . A 45 GLU H . 30127 1 393 . 1 1 45 45 GLU C C 13 179.072 0.200 . 1 . . . A 45 GLU C . 30127 1 394 . 1 1 45 45 GLU CA C 13 59.665 0.200 . 1 . . . A 45 GLU CA . 30127 1 395 . 1 1 45 45 GLU CB C 13 29.302 0.200 . 1 . . . A 45 GLU CB . 30127 1 396 . 1 1 45 45 GLU N N 15 119.526 0.200 . 1 . . . A 45 GLU N . 30127 1 397 . 1 1 46 46 THR H H 1 7.728 0.010 . 1 . . . A 46 THR H . 30127 1 398 . 1 1 46 46 THR HG21 H 1 1.156 0.010 . 1 . . . A 46 THR HG21 . 30127 1 399 . 1 1 46 46 THR HG22 H 1 1.156 0.010 . 1 . . . A 46 THR HG22 . 30127 1 400 . 1 1 46 46 THR HG23 H 1 1.156 0.010 . 1 . . . A 46 THR HG23 . 30127 1 401 . 1 1 46 46 THR C C 13 176.772 0.200 . 1 . . . A 46 THR C . 30127 1 402 . 1 1 46 46 THR CA C 13 65.514 0.200 . 1 . . . A 46 THR CA . 30127 1 403 . 1 1 46 46 THR CB C 13 69.444 0.200 . 1 . . . A 46 THR CB . 30127 1 404 . 1 1 46 46 THR CG2 C 13 21.689 0.200 . 1 . . . A 46 THR CG2 . 30127 1 405 . 1 1 46 46 THR N N 15 110.660 0.200 . 1 . . . A 46 THR N . 30127 1 406 . 1 1 47 47 VAL H H 1 7.378 0.010 . 1 . . . A 47 VAL H . 30127 1 407 . 1 1 47 47 VAL HG11 H 1 0.323 0.010 . 1 . . . A 47 VAL HG11 . 30127 1 408 . 1 1 47 47 VAL HG12 H 1 0.323 0.010 . 1 . . . A 47 VAL HG12 . 30127 1 409 . 1 1 47 47 VAL HG13 H 1 0.323 0.010 . 1 . . . A 47 VAL HG13 . 30127 1 410 . 1 1 47 47 VAL HG21 H 1 0.266 0.010 . 1 . . . A 47 VAL HG21 . 30127 1 411 . 1 1 47 47 VAL HG22 H 1 0.266 0.010 . 1 . . . A 47 VAL HG22 . 30127 1 412 . 1 1 47 47 VAL HG23 H 1 0.266 0.010 . 1 . . . A 47 VAL HG23 . 30127 1 413 . 1 1 47 47 VAL CA C 13 64.800 0.200 . 1 . . . A 47 VAL CA . 30127 1 414 . 1 1 47 47 VAL CB C 13 30.846 0.200 . 1 . . . A 47 VAL CB . 30127 1 415 . 1 1 47 47 VAL CG1 C 13 20.506 0.200 . 1 . . . A 47 VAL CG1 . 30127 1 416 . 1 1 47 47 VAL CG2 C 13 20.525 0.200 . 1 . . . A 47 VAL CG2 . 30127 1 417 . 1 1 47 47 VAL N N 15 117.404 0.200 . 1 . . . A 47 VAL N . 30127 1 418 . 1 1 48 48 MET H H 1 7.631 0.010 . 1 . . . A 48 MET H . 30127 1 419 . 1 1 48 48 MET HE1 H 1 2.152 0.010 . 1 . . . A 48 MET HE1 . 30127 1 420 . 1 1 48 48 MET HE2 H 1 2.152 0.010 . 1 . . . A 48 MET HE2 . 30127 1 421 . 1 1 48 48 MET HE3 H 1 2.152 0.010 . 1 . . . A 48 MET HE3 . 30127 1 422 . 1 1 48 48 MET C C 13 176.846 0.200 . 1 . . . A 48 MET C . 30127 1 423 . 1 1 48 48 MET CA C 13 57.092 0.200 . 1 . . . A 48 MET CA . 30127 1 424 . 1 1 48 48 MET CB C 13 32.420 0.200 . 1 . . . A 48 MET CB . 30127 1 425 . 1 1 48 48 MET CE C 13 17.487 0.200 . 1 . . . A 48 MET CE . 30127 1 426 . 1 1 48 48 MET N N 15 117.637 0.200 . 1 . . . A 48 MET N . 30127 1 427 . 1 1 49 49 GLU H H 1 7.718 0.010 . 1 . . . A 49 GLU H . 30127 1 428 . 1 1 49 49 GLU C C 13 176.938 0.200 . 1 . . . A 49 GLU C . 30127 1 429 . 1 1 49 49 GLU CA C 13 57.334 0.200 . 1 . . . A 49 GLU CA . 30127 1 430 . 1 1 49 49 GLU CB C 13 30.062 0.200 . 1 . . . A 49 GLU CB . 30127 1 431 . 1 1 49 49 GLU N N 15 118.673 0.200 . 1 . . . A 49 GLU N . 30127 1 432 . 1 1 50 50 LYS H H 1 7.677 0.010 . 1 . . . A 50 LYS H . 30127 1 433 . 1 1 50 50 LYS C C 13 176.419 0.200 . 1 . . . A 50 LYS C . 30127 1 434 . 1 1 50 50 LYS CA C 13 56.058 0.200 . 1 . . . A 50 LYS CA . 30127 1 435 . 1 1 50 50 LYS CB C 13 32.410 0.200 . 1 . . . A 50 LYS CB . 30127 1 436 . 1 1 50 50 LYS N N 15 119.030 0.200 . 1 . . . A 50 LYS N . 30127 1 437 . 1 1 51 51 GLN H H 1 8.419 0.010 . 1 . . . A 51 GLN H . 30127 1 438 . 1 1 51 51 GLN C C 13 175.870 0.200 . 1 . . . A 51 GLN C . 30127 1 439 . 1 1 51 51 GLN CA C 13 55.924 0.200 . 1 . . . A 51 GLN CA . 30127 1 440 . 1 1 51 51 GLN CB C 13 29.552 0.200 . 1 . . . A 51 GLN CB . 30127 1 441 . 1 1 51 51 GLN N N 15 121.401 0.200 . 1 . . . A 51 GLN N . 30127 1 442 . 1 1 52 52 THR H H 1 8.468 0.010 . 1 . . . A 52 THR H . 30127 1 443 . 1 1 52 52 THR HG21 H 1 1.297 0.010 . 1 . . . A 52 THR HG21 . 30127 1 444 . 1 1 52 52 THR HG22 H 1 1.297 0.010 . 1 . . . A 52 THR HG22 . 30127 1 445 . 1 1 52 52 THR HG23 H 1 1.297 0.010 . 1 . . . A 52 THR HG23 . 30127 1 446 . 1 1 52 52 THR CA C 13 60.886 0.200 . 1 . . . A 52 THR CA . 30127 1 447 . 1 1 52 52 THR CB C 13 69.719 0.200 . 1 . . . A 52 THR CB . 30127 1 448 . 1 1 52 52 THR CG2 C 13 21.470 0.200 . 1 . . . A 52 THR CG2 . 30127 1 449 . 1 1 52 52 THR N N 15 120.113 0.200 . 1 . . . A 52 THR N . 30127 1 450 . 1 1 54 54 PRO C C 13 178.004 0.200 . 1 . . . A 54 PRO C . 30127 1 451 . 1 1 54 54 PRO CA C 13 63.166 0.200 . 1 . . . A 54 PRO CA . 30127 1 452 . 1 1 54 54 PRO CB C 13 31.605 0.200 . 1 . . . A 54 PRO CB . 30127 1 453 . 1 1 55 55 GLY H H 1 8.508 0.010 . 1 . . . A 55 GLY H . 30127 1 454 . 1 1 55 55 GLY C C 13 174.944 0.200 . 1 . . . A 55 GLY C . 30127 1 455 . 1 1 55 55 GLY CA C 13 46.232 0.200 . 1 . . . A 55 GLY CA . 30127 1 456 . 1 1 55 55 GLY N N 15 107.834 0.200 . 1 . . . A 55 GLY N . 30127 1 457 . 1 1 56 56 ILE H H 1 7.399 0.010 . 1 . . . A 56 ILE H . 30127 1 458 . 1 1 56 56 ILE HD11 H 1 0.733 0.010 . 1 . . . A 56 ILE HD11 . 30127 1 459 . 1 1 56 56 ILE HD12 H 1 0.733 0.010 . 1 . . . A 56 ILE HD12 . 30127 1 460 . 1 1 56 56 ILE HD13 H 1 0.733 0.010 . 1 . . . A 56 ILE HD13 . 30127 1 461 . 1 1 56 56 ILE CA C 13 61.659 0.200 . 1 . . . A 56 ILE CA . 30127 1 462 . 1 1 56 56 ILE CB C 13 37.280 0.200 . 1 . . . A 56 ILE CB . 30127 1 463 . 1 1 56 56 ILE CD1 C 13 13.089 0.200 . 1 . . . A 56 ILE CD1 . 30127 1 464 . 1 1 56 56 ILE N N 15 118.334 0.200 . 1 . . . A 56 ILE N . 30127 1 465 . 1 1 57 57 THR H H 1 7.571 0.010 . 1 . . . A 57 THR H . 30127 1 466 . 1 1 57 57 THR HG21 H 1 1.090 0.010 . 1 . . . A 57 THR HG21 . 30127 1 467 . 1 1 57 57 THR HG22 H 1 1.090 0.010 . 1 . . . A 57 THR HG22 . 30127 1 468 . 1 1 57 57 THR HG23 H 1 1.090 0.010 . 1 . . . A 57 THR HG23 . 30127 1 469 . 1 1 57 57 THR CG2 C 13 21.599 0.200 . 1 . . . A 57 THR CG2 . 30127 1 470 . 1 1 57 57 THR N N 15 115.599 0.200 . 1 . . . A 57 THR N . 30127 1 471 . 1 1 59 59 SER C C 13 177.440 0.200 . 1 . . . A 59 SER C . 30127 1 472 . 1 1 59 59 SER CA C 13 61.904 0.200 . 1 . . . A 59 SER CA . 30127 1 473 . 1 1 59 59 SER CB C 13 63.041 0.200 . 1 . . . A 59 SER CB . 30127 1 474 . 1 1 60 60 ILE H H 1 7.377 0.010 . 1 . . . A 60 ILE H . 30127 1 475 . 1 1 60 60 ILE HD11 H 1 0.937 0.010 . 1 . . . A 60 ILE HD11 . 30127 1 476 . 1 1 60 60 ILE HD12 H 1 0.937 0.010 . 1 . . . A 60 ILE HD12 . 30127 1 477 . 1 1 60 60 ILE HD13 H 1 0.937 0.010 . 1 . . . A 60 ILE HD13 . 30127 1 478 . 1 1 60 60 ILE C C 13 177.744 0.200 . 1 . . . A 60 ILE C . 30127 1 479 . 1 1 60 60 ILE CA C 13 64.273 0.200 . 1 . . . A 60 ILE CA . 30127 1 480 . 1 1 60 60 ILE CB C 13 36.755 0.200 . 1 . . . A 60 ILE CB . 30127 1 481 . 1 1 60 60 ILE CD1 C 13 12.038 0.200 . 1 . . . A 60 ILE CD1 . 30127 1 482 . 1 1 60 60 ILE N N 15 122.560 0.200 . 1 . . . A 60 ILE N . 30127 1 483 . 1 1 61 61 GLN H H 1 8.538 0.010 . 1 . . . A 61 GLN H . 30127 1 484 . 1 1 61 61 GLN C C 13 178.818 0.200 . 1 . . . A 61 GLN C . 30127 1 485 . 1 1 61 61 GLN CA C 13 60.026 0.200 . 1 . . . A 61 GLN CA . 30127 1 486 . 1 1 61 61 GLN CB C 13 28.203 0.200 . 1 . . . A 61 GLN CB . 30127 1 487 . 1 1 61 61 GLN N N 15 121.422 0.200 . 1 . . . A 61 GLN N . 30127 1 488 . 1 1 62 62 ASP H H 1 8.608 0.010 . 1 . . . A 62 ASP H . 30127 1 489 . 1 1 62 62 ASP C C 13 178.945 0.200 . 1 . . . A 62 ASP C . 30127 1 490 . 1 1 62 62 ASP CA C 13 57.686 0.200 . 1 . . . A 62 ASP CA . 30127 1 491 . 1 1 62 62 ASP CB C 13 40.076 0.200 . 1 . . . A 62 ASP CB . 30127 1 492 . 1 1 62 62 ASP N N 15 118.861 0.200 . 1 . . . A 62 ASP N . 30127 1 493 . 1 1 63 63 MET H H 1 7.637 0.010 . 1 . . . A 63 MET H . 30127 1 494 . 1 1 63 63 MET HE1 H 1 2.157 0.010 . 1 . . . A 63 MET HE1 . 30127 1 495 . 1 1 63 63 MET HE2 H 1 2.157 0.010 . 1 . . . A 63 MET HE2 . 30127 1 496 . 1 1 63 63 MET HE3 H 1 2.157 0.010 . 1 . . . A 63 MET HE3 . 30127 1 497 . 1 1 63 63 MET C C 13 178.799 0.200 . 1 . . . A 63 MET C . 30127 1 498 . 1 1 63 63 MET CA C 13 58.889 0.200 . 1 . . . A 63 MET CA . 30127 1 499 . 1 1 63 63 MET CB C 13 33.188 0.200 . 1 . . . A 63 MET CB . 30127 1 500 . 1 1 63 63 MET CE C 13 16.996 0.200 . 1 . . . A 63 MET CE . 30127 1 501 . 1 1 63 63 MET N N 15 120.913 0.200 . 1 . . . A 63 MET N . 30127 1 502 . 1 1 64 64 VAL H H 1 8.433 0.010 . 1 . . . A 64 VAL H . 30127 1 503 . 1 1 64 64 VAL HG11 H 1 1.013 0.010 . 1 . . . A 64 VAL HG11 . 30127 1 504 . 1 1 64 64 VAL HG12 H 1 1.013 0.010 . 1 . . . A 64 VAL HG12 . 30127 1 505 . 1 1 64 64 VAL HG13 H 1 1.013 0.010 . 1 . . . A 64 VAL HG13 . 30127 1 506 . 1 1 64 64 VAL HG21 H 1 0.667 0.010 . 1 . . . A 64 VAL HG21 . 30127 1 507 . 1 1 64 64 VAL HG22 H 1 0.667 0.010 . 1 . . . A 64 VAL HG22 . 30127 1 508 . 1 1 64 64 VAL HG23 H 1 0.667 0.010 . 1 . . . A 64 VAL HG23 . 30127 1 509 . 1 1 64 64 VAL C C 13 177.014 0.200 . 1 . . . A 64 VAL C . 30127 1 510 . 1 1 64 64 VAL CA C 13 66.384 0.200 . 1 . . . A 64 VAL CA . 30127 1 511 . 1 1 64 64 VAL CB C 13 31.281 0.200 . 1 . . . A 64 VAL CB . 30127 1 512 . 1 1 64 64 VAL CG1 C 13 23.581 0.200 . 1 . . . A 64 VAL CG1 . 30127 1 513 . 1 1 64 64 VAL CG2 C 13 21.513 0.200 . 1 . . . A 64 VAL CG2 . 30127 1 514 . 1 1 64 64 VAL N N 15 118.530 0.200 . 1 . . . A 64 VAL N . 30127 1 515 . 1 1 65 65 ALA H H 1 8.430 0.010 . 1 . . . A 65 ALA H . 30127 1 516 . 1 1 65 65 ALA HB1 H 1 1.470 0.010 . 1 . . . A 65 ALA HB1 . 30127 1 517 . 1 1 65 65 ALA HB2 H 1 1.470 0.010 . 1 . . . A 65 ALA HB2 . 30127 1 518 . 1 1 65 65 ALA HB3 H 1 1.470 0.010 . 1 . . . A 65 ALA HB3 . 30127 1 519 . 1 1 65 65 ALA C C 13 180.885 0.200 . 1 . . . A 65 ALA C . 30127 1 520 . 1 1 65 65 ALA CA C 13 55.527 0.200 . 1 . . . A 65 ALA CA . 30127 1 521 . 1 1 65 65 ALA CB C 13 17.738 0.200 . 1 . . . A 65 ALA CB . 30127 1 522 . 1 1 65 65 ALA N N 15 122.559 0.200 . 1 . . . A 65 ALA N . 30127 1 523 . 1 1 66 66 GLY H H 1 7.670 0.010 . 1 . . . A 66 GLY H . 30127 1 524 . 1 1 66 66 GLY C C 13 176.748 0.200 . 1 . . . A 66 GLY C . 30127 1 525 . 1 1 66 66 GLY CA C 13 47.195 0.200 . 1 . . . A 66 GLY CA . 30127 1 526 . 1 1 66 66 GLY N N 15 105.332 0.200 . 1 . . . A 66 GLY N . 30127 1 527 . 1 1 67 67 TYR H H 1 7.392 0.010 . 1 . . . A 67 TYR H . 30127 1 528 . 1 1 67 67 TYR HB2 H 1 3.411 0.010 . 1 . . . A 67 TYR HB2 . 30127 1 529 . 1 1 67 67 TYR HB3 H 1 3.065 0.010 . 1 . . . A 67 TYR HB3 . 30127 1 530 . 1 1 67 67 TYR HD1 H 1 7.082 0.010 . 1 . . . A 67 TYR HD1 . 30127 1 531 . 1 1 67 67 TYR HD2 H 1 7.082 0.010 . 1 . . . A 67 TYR HD2 . 30127 1 532 . 1 1 67 67 TYR HE1 H 1 6.860 0.010 . 1 . . . A 67 TYR HE1 . 30127 1 533 . 1 1 67 67 TYR HE2 H 1 6.860 0.010 . 1 . . . A 67 TYR HE2 . 30127 1 534 . 1 1 67 67 TYR C C 13 179.793 0.200 . 1 . . . A 67 TYR C . 30127 1 535 . 1 1 67 67 TYR CA C 13 59.634 0.200 . 1 . . . A 67 TYR CA . 30127 1 536 . 1 1 67 67 TYR CB C 13 37.448 0.200 . 1 . . . A 67 TYR CB . 30127 1 537 . 1 1 67 67 TYR CD1 C 13 131.842 0.200 . 1 . . . A 67 TYR CD1 . 30127 1 538 . 1 1 67 67 TYR CD2 C 13 131.842 0.200 . 1 . . . A 67 TYR CD2 . 30127 1 539 . 1 1 67 67 TYR CE1 C 13 118.499 0.200 . 1 . . . A 67 TYR CE1 . 30127 1 540 . 1 1 67 67 TYR CE2 C 13 118.499 0.200 . 1 . . . A 67 TYR CE2 . 30127 1 541 . 1 1 67 67 TYR N N 15 122.555 0.200 . 1 . . . A 67 TYR N . 30127 1 542 . 1 1 68 68 ILE H H 1 8.587 0.010 . 1 . . . A 68 ILE H . 30127 1 543 . 1 1 68 68 ILE HD11 H 1 0.135 0.010 . 1 . . . A 68 ILE HD11 . 30127 1 544 . 1 1 68 68 ILE HD12 H 1 0.135 0.010 . 1 . . . A 68 ILE HD12 . 30127 1 545 . 1 1 68 68 ILE HD13 H 1 0.135 0.010 . 1 . . . A 68 ILE HD13 . 30127 1 546 . 1 1 68 68 ILE C C 13 177.299 0.200 . 1 . . . A 68 ILE C . 30127 1 547 . 1 1 68 68 ILE CA C 13 66.657 0.200 . 1 . . . A 68 ILE CA . 30127 1 548 . 1 1 68 68 ILE CB C 13 37.499 0.200 . 1 . . . A 68 ILE CB . 30127 1 549 . 1 1 68 68 ILE CD1 C 13 13.507 0.200 . 1 . . . A 68 ILE CD1 . 30127 1 550 . 1 1 68 68 ILE N N 15 124.780 0.200 . 1 . . . A 68 ILE N . 30127 1 551 . 1 1 69 69 LYS H H 1 7.988 0.010 . 1 . . . A 69 LYS H . 30127 1 552 . 1 1 69 69 LYS C C 13 178.213 0.200 . 1 . . . A 69 LYS C . 30127 1 553 . 1 1 69 69 LYS CA C 13 59.863 0.200 . 1 . . . A 69 LYS CA . 30127 1 554 . 1 1 69 69 LYS CB C 13 31.868 0.200 . 1 . . . A 69 LYS CB . 30127 1 555 . 1 1 69 69 LYS N N 15 119.725 0.200 . 1 . . . A 69 LYS N . 30127 1 556 . 1 1 70 70 GLN H H 1 8.111 0.010 . 1 . . . A 70 GLN H . 30127 1 557 . 1 1 70 70 GLN C C 13 178.858 0.200 . 1 . . . A 70 GLN C . 30127 1 558 . 1 1 70 70 GLN CA C 13 59.462 0.200 . 1 . . . A 70 GLN CA . 30127 1 559 . 1 1 70 70 GLN CB C 13 28.988 0.200 . 1 . . . A 70 GLN CB . 30127 1 560 . 1 1 70 70 GLN N N 15 117.033 0.200 . 1 . . . A 70 GLN N . 30127 1 561 . 1 1 71 71 THR H H 1 8.284 0.010 . 1 . . . A 71 THR H . 30127 1 562 . 1 1 71 71 THR HG21 H 1 1.442 0.010 . 1 . . . A 71 THR HG21 . 30127 1 563 . 1 1 71 71 THR HG22 H 1 1.442 0.010 . 1 . . . A 71 THR HG22 . 30127 1 564 . 1 1 71 71 THR HG23 H 1 1.442 0.010 . 1 . . . A 71 THR HG23 . 30127 1 565 . 1 1 71 71 THR C C 13 176.481 0.200 . 1 . . . A 71 THR C . 30127 1 566 . 1 1 71 71 THR CA C 13 68.737 0.200 . 1 . . . A 71 THR CA . 30127 1 567 . 1 1 71 71 THR CB C 13 69.131 0.200 . 1 . . . A 71 THR CB . 30127 1 568 . 1 1 71 71 THR CG2 C 13 21.213 0.200 . 1 . . . A 71 THR CG2 . 30127 1 569 . 1 1 71 71 THR N N 15 117.053 0.200 . 1 . . . A 71 THR N . 30127 1 570 . 1 1 72 72 LEU H H 1 8.732 0.010 . 1 . . . A 72 LEU H . 30127 1 571 . 1 1 72 72 LEU HD11 H 1 0.902 0.010 . 1 . . . A 72 LEU HD11 . 30127 1 572 . 1 1 72 72 LEU HD12 H 1 0.902 0.010 . 1 . . . A 72 LEU HD12 . 30127 1 573 . 1 1 72 72 LEU HD13 H 1 0.902 0.010 . 1 . . . A 72 LEU HD13 . 30127 1 574 . 1 1 72 72 LEU HD21 H 1 0.914 0.010 . 1 . . . A 72 LEU HD21 . 30127 1 575 . 1 1 72 72 LEU HD22 H 1 0.914 0.010 . 1 . . . A 72 LEU HD22 . 30127 1 576 . 1 1 72 72 LEU HD23 H 1 0.914 0.010 . 1 . . . A 72 LEU HD23 . 30127 1 577 . 1 1 72 72 LEU C C 13 179.571 0.200 . 1 . . . A 72 LEU C . 30127 1 578 . 1 1 72 72 LEU CA C 13 58.836 0.200 . 1 . . . A 72 LEU CA . 30127 1 579 . 1 1 72 72 LEU CB C 13 40.949 0.200 . 1 . . . A 72 LEU CB . 30127 1 580 . 1 1 72 72 LEU CD1 C 13 25.030 0.200 . 1 . . . A 72 LEU CD1 . 30127 1 581 . 1 1 72 72 LEU CD2 C 13 23.215 0.200 . 1 . . . A 72 LEU CD2 . 30127 1 582 . 1 1 72 72 LEU N N 15 122.518 0.200 . 1 . . . A 72 LEU N . 30127 1 583 . 1 1 73 73 ASP H H 1 8.961 0.010 . 1 . . . A 73 ASP H . 30127 1 584 . 1 1 73 73 ASP C C 13 179.775 0.200 . 1 . . . A 73 ASP C . 30127 1 585 . 1 1 73 73 ASP CA C 13 57.855 0.200 . 1 . . . A 73 ASP CA . 30127 1 586 . 1 1 73 73 ASP CB C 13 40.069 0.200 . 1 . . . A 73 ASP CB . 30127 1 587 . 1 1 73 73 ASP N N 15 120.475 0.200 . 1 . . . A 73 ASP N . 30127 1 588 . 1 1 74 74 ASN H H 1 8.252 0.010 . 1 . . . A 74 ASN H . 30127 1 589 . 1 1 74 74 ASN C C 13 177.880 0.200 . 1 . . . A 74 ASN C . 30127 1 590 . 1 1 74 74 ASN CA C 13 56.361 0.200 . 1 . . . A 74 ASN CA . 30127 1 591 . 1 1 74 74 ASN CB C 13 38.312 0.200 . 1 . . . A 74 ASN CB . 30127 1 592 . 1 1 74 74 ASN N N 15 117.315 0.200 . 1 . . . A 74 ASN N . 30127 1 593 . 1 1 75 75 GLU H H 1 9.423 0.010 . 1 . . . A 75 GLU H . 30127 1 594 . 1 1 75 75 GLU C C 13 177.843 0.200 . 1 . . . A 75 GLU C . 30127 1 595 . 1 1 75 75 GLU CA C 13 60.654 0.200 . 1 . . . A 75 GLU CA . 30127 1 596 . 1 1 75 75 GLU CB C 13 26.505 0.200 . 1 . . . A 75 GLU CB . 30127 1 597 . 1 1 75 75 GLU N N 15 123.343 0.200 . 1 . . . A 75 GLU N . 30127 1 598 . 1 1 76 76 GLN H H 1 8.302 0.010 . 1 . . . A 76 GLN H . 30127 1 599 . 1 1 76 76 GLN C C 13 179.904 0.200 . 1 . . . A 76 GLN C . 30127 1 600 . 1 1 76 76 GLN CA C 13 59.736 0.200 . 1 . . . A 76 GLN CA . 30127 1 601 . 1 1 76 76 GLN CB C 13 28.560 0.200 . 1 . . . A 76 GLN CB . 30127 1 602 . 1 1 76 76 GLN N N 15 119.518 0.200 . 1 . . . A 76 GLN N . 30127 1 603 . 1 1 77 77 LEU H H 1 7.359 0.010 . 1 . . . A 77 LEU H . 30127 1 604 . 1 1 77 77 LEU HD11 H 1 0.986 0.010 . 1 . . . A 77 LEU HD11 . 30127 1 605 . 1 1 77 77 LEU HD12 H 1 0.986 0.010 . 1 . . . A 77 LEU HD12 . 30127 1 606 . 1 1 77 77 LEU HD13 H 1 0.986 0.010 . 1 . . . A 77 LEU HD13 . 30127 1 607 . 1 1 77 77 LEU HD21 H 1 0.922 0.010 . 1 . . . A 77 LEU HD21 . 30127 1 608 . 1 1 77 77 LEU HD22 H 1 0.922 0.010 . 1 . . . A 77 LEU HD22 . 30127 1 609 . 1 1 77 77 LEU HD23 H 1 0.922 0.010 . 1 . . . A 77 LEU HD23 . 30127 1 610 . 1 1 77 77 LEU C C 13 180.059 0.200 . 1 . . . A 77 LEU C . 30127 1 611 . 1 1 77 77 LEU CA C 13 57.743 0.200 . 1 . . . A 77 LEU CA . 30127 1 612 . 1 1 77 77 LEU CB C 13 42.032 0.200 . 1 . . . A 77 LEU CB . 30127 1 613 . 1 1 77 77 LEU CD1 C 13 25.509 0.200 . 1 . . . A 77 LEU CD1 . 30127 1 614 . 1 1 77 77 LEU CD2 C 13 22.654 0.200 . 1 . . . A 77 LEU CD2 . 30127 1 615 . 1 1 77 77 LEU N N 15 120.046 0.200 . 1 . . . A 77 LEU N . 30127 1 616 . 1 1 78 78 LEU H H 1 8.658 0.010 . 1 . . . A 78 LEU H . 30127 1 617 . 1 1 78 78 LEU HD11 H 1 0.704 0.010 . 1 . . . A 78 LEU HD11 . 30127 1 618 . 1 1 78 78 LEU HD12 H 1 0.704 0.010 . 1 . . . A 78 LEU HD12 . 30127 1 619 . 1 1 78 78 LEU HD13 H 1 0.704 0.010 . 1 . . . A 78 LEU HD13 . 30127 1 620 . 1 1 78 78 LEU HD21 H 1 0.894 0.010 . 1 . . . A 78 LEU HD21 . 30127 1 621 . 1 1 78 78 LEU HD22 H 1 0.894 0.010 . 1 . . . A 78 LEU HD22 . 30127 1 622 . 1 1 78 78 LEU HD23 H 1 0.894 0.010 . 1 . . . A 78 LEU HD23 . 30127 1 623 . 1 1 78 78 LEU C C 13 177.792 0.200 . 1 . . . A 78 LEU C . 30127 1 624 . 1 1 78 78 LEU CA C 13 58.542 0.200 . 1 . . . A 78 LEU CA . 30127 1 625 . 1 1 78 78 LEU CB C 13 41.974 0.200 . 1 . . . A 78 LEU CB . 30127 1 626 . 1 1 78 78 LEU CD1 C 13 23.417 0.200 . 1 . . . A 78 LEU CD1 . 30127 1 627 . 1 1 78 78 LEU CD2 C 13 25.772 0.200 . 1 . . . A 78 LEU CD2 . 30127 1 628 . 1 1 78 78 LEU N N 15 122.518 0.200 . 1 . . . A 78 LEU N . 30127 1 629 . 1 1 79 79 LYS H H 1 8.979 0.010 . 1 . . . A 79 LYS H . 30127 1 630 . 1 1 79 79 LYS C C 13 178.612 0.200 . 1 . . . A 79 LYS C . 30127 1 631 . 1 1 79 79 LYS CA C 13 60.828 0.200 . 1 . . . A 79 LYS CA . 30127 1 632 . 1 1 79 79 LYS CB C 13 31.921 0.200 . 1 . . . A 79 LYS CB . 30127 1 633 . 1 1 79 79 LYS N N 15 119.467 0.200 . 1 . . . A 79 LYS N . 30127 1 634 . 1 1 80 80 GLY H H 1 7.528 0.010 . 1 . . . A 80 GLY H . 30127 1 635 . 1 1 80 80 GLY C C 13 176.982 0.200 . 1 . . . A 80 GLY C . 30127 1 636 . 1 1 80 80 GLY CA C 13 47.488 0.200 . 1 . . . A 80 GLY CA . 30127 1 637 . 1 1 80 80 GLY N N 15 103.202 0.200 . 1 . . . A 80 GLY N . 30127 1 638 . 1 1 81 81 LEU H H 1 7.768 0.010 . 1 . . . A 81 LEU H . 30127 1 639 . 1 1 81 81 LEU HD11 H 1 0.818 0.010 . 1 . . . A 81 LEU HD11 . 30127 1 640 . 1 1 81 81 LEU HD12 H 1 0.818 0.010 . 1 . . . A 81 LEU HD12 . 30127 1 641 . 1 1 81 81 LEU HD13 H 1 0.818 0.010 . 1 . . . A 81 LEU HD13 . 30127 1 642 . 1 1 81 81 LEU HD21 H 1 0.955 0.010 . 1 . . . A 81 LEU HD21 . 30127 1 643 . 1 1 81 81 LEU HD22 H 1 0.955 0.010 . 1 . . . A 81 LEU HD22 . 30127 1 644 . 1 1 81 81 LEU HD23 H 1 0.955 0.010 . 1 . . . A 81 LEU HD23 . 30127 1 645 . 1 1 81 81 LEU C C 13 180.412 0.200 . 1 . . . A 81 LEU C . 30127 1 646 . 1 1 81 81 LEU CA C 13 58.338 0.200 . 1 . . . A 81 LEU CA . 30127 1 647 . 1 1 81 81 LEU CB C 13 41.611 0.200 . 1 . . . A 81 LEU CB . 30127 1 648 . 1 1 81 81 LEU CD1 C 13 27.069 0.200 . 1 . . . A 81 LEU CD1 . 30127 1 649 . 1 1 81 81 LEU CD2 C 13 22.414 0.200 . 1 . . . A 81 LEU CD2 . 30127 1 650 . 1 1 81 81 LEU N N 15 122.613 0.200 . 1 . . . A 81 LEU N . 30127 1 651 . 1 1 82 82 LEU H H 1 8.797 0.010 . 1 . . . A 82 LEU H . 30127 1 652 . 1 1 82 82 LEU HD11 H 1 0.691 0.010 . 1 . . . A 82 LEU HD11 . 30127 1 653 . 1 1 82 82 LEU HD12 H 1 0.691 0.010 . 1 . . . A 82 LEU HD12 . 30127 1 654 . 1 1 82 82 LEU HD13 H 1 0.691 0.010 . 1 . . . A 82 LEU HD13 . 30127 1 655 . 1 1 82 82 LEU HD21 H 1 0.603 0.010 . 1 . . . A 82 LEU HD21 . 30127 1 656 . 1 1 82 82 LEU HD22 H 1 0.603 0.010 . 1 . . . A 82 LEU HD22 . 30127 1 657 . 1 1 82 82 LEU HD23 H 1 0.603 0.010 . 1 . . . A 82 LEU HD23 . 30127 1 658 . 1 1 82 82 LEU C C 13 178.740 0.200 . 1 . . . A 82 LEU C . 30127 1 659 . 1 1 82 82 LEU CA C 13 58.694 0.200 . 1 . . . A 82 LEU CA . 30127 1 660 . 1 1 82 82 LEU CB C 13 41.617 0.200 . 1 . . . A 82 LEU CB . 30127 1 661 . 1 1 82 82 LEU CD1 C 13 26.501 0.200 . 1 . . . A 82 LEU CD1 . 30127 1 662 . 1 1 82 82 LEU CD2 C 13 23.356 0.200 . 1 . . . A 82 LEU CD2 . 30127 1 663 . 1 1 82 82 LEU N N 15 121.510 0.200 . 1 . . . A 82 LEU N . 30127 1 664 . 1 1 83 83 GLN H H 1 8.559 0.010 . 1 . . . A 83 GLN H . 30127 1 665 . 1 1 83 83 GLN HE21 H 1 7.389 0.010 . 1 . . . A 83 GLN HE21 . 30127 1 666 . 1 1 83 83 GLN HE22 H 1 6.845 0.010 . 1 . . . A 83 GLN HE22 . 30127 1 667 . 1 1 83 83 GLN C C 13 177.955 0.200 . 1 . . . A 83 GLN C . 30127 1 668 . 1 1 83 83 GLN CA C 13 58.935 0.200 . 1 . . . A 83 GLN CA . 30127 1 669 . 1 1 83 83 GLN CB C 13 28.380 0.200 . 1 . . . A 83 GLN CB . 30127 1 670 . 1 1 83 83 GLN N N 15 118.759 0.200 . 1 . . . A 83 GLN N . 30127 1 671 . 1 1 83 83 GLN NE2 N 15 111.378 0.200 . 1 . . . A 83 GLN NE2 . 30127 1 672 . 1 1 84 84 GLN H H 1 7.992 0.010 . 1 . . . A 84 GLN H . 30127 1 673 . 1 1 84 84 GLN C C 13 178.435 0.200 . 1 . . . A 84 GLN C . 30127 1 674 . 1 1 84 84 GLN CA C 13 59.313 0.200 . 1 . . . A 84 GLN CA . 30127 1 675 . 1 1 84 84 GLN CB C 13 28.370 0.200 . 1 . . . A 84 GLN CB . 30127 1 676 . 1 1 84 84 GLN N N 15 118.568 0.200 . 1 . . . A 84 GLN N . 30127 1 677 . 1 1 85 85 ARG H H 1 7.823 0.010 . 1 . . . A 85 ARG H . 30127 1 678 . 1 1 85 85 ARG C C 13 177.643 0.200 . 1 . . . A 85 ARG C . 30127 1 679 . 1 1 85 85 ARG CA C 13 57.517 0.200 . 1 . . . A 85 ARG CA . 30127 1 680 . 1 1 85 85 ARG CB C 13 28.678 0.200 . 1 . . . A 85 ARG CB . 30127 1 681 . 1 1 85 85 ARG N N 15 120.661 0.200 . 1 . . . A 85 ARG N . 30127 1 682 . 1 1 86 86 LEU H H 1 8.252 0.010 . 1 . . . A 86 LEU H . 30127 1 683 . 1 1 86 86 LEU HD11 H 1 0.853 0.010 . 1 . . . A 86 LEU HD11 . 30127 1 684 . 1 1 86 86 LEU HD12 H 1 0.853 0.010 . 1 . . . A 86 LEU HD12 . 30127 1 685 . 1 1 86 86 LEU HD13 H 1 0.853 0.010 . 1 . . . A 86 LEU HD13 . 30127 1 686 . 1 1 86 86 LEU HD21 H 1 0.890 0.010 . 1 . . . A 86 LEU HD21 . 30127 1 687 . 1 1 86 86 LEU HD22 H 1 0.890 0.010 . 1 . . . A 86 LEU HD22 . 30127 1 688 . 1 1 86 86 LEU HD23 H 1 0.890 0.010 . 1 . . . A 86 LEU HD23 . 30127 1 689 . 1 1 86 86 LEU C C 13 179.273 0.200 . 1 . . . A 86 LEU C . 30127 1 690 . 1 1 86 86 LEU CA C 13 58.615 0.200 . 1 . . . A 86 LEU CA . 30127 1 691 . 1 1 86 86 LEU CB C 13 41.073 0.200 . 1 . . . A 86 LEU CB . 30127 1 692 . 1 1 86 86 LEU CD1 C 13 26.400 0.200 . 1 . . . A 86 LEU CD1 . 30127 1 693 . 1 1 86 86 LEU CD2 C 13 24.268 0.200 . 1 . . . A 86 LEU CD2 . 30127 1 694 . 1 1 86 86 LEU N N 15 120.591 0.200 . 1 . . . A 86 LEU N . 30127 1 695 . 1 1 87 87 ASP H H 1 8.546 0.010 . 1 . . . A 87 ASP H . 30127 1 696 . 1 1 87 87 ASP C C 13 179.237 0.200 . 1 . . . A 87 ASP C . 30127 1 697 . 1 1 87 87 ASP CA C 13 57.997 0.200 . 1 . . . A 87 ASP CA . 30127 1 698 . 1 1 87 87 ASP CB C 13 40.225 0.200 . 1 . . . A 87 ASP CB . 30127 1 699 . 1 1 87 87 ASP N N 15 121.464 0.200 . 1 . . . A 87 ASP N . 30127 1 700 . 1 1 88 88 GLU H H 1 8.145 0.010 . 1 . . . A 88 GLU H . 30127 1 701 . 1 1 88 88 GLU C C 13 179.807 0.200 . 1 . . . A 88 GLU C . 30127 1 702 . 1 1 88 88 GLU CA C 13 59.485 0.200 . 1 . . . A 88 GLU CA . 30127 1 703 . 1 1 88 88 GLU CB C 13 29.434 0.200 . 1 . . . A 88 GLU CB . 30127 1 704 . 1 1 88 88 GLU N N 15 121.524 0.200 . 1 . . . A 88 GLU N . 30127 1 705 . 1 1 89 89 LEU H H 1 8.252 0.010 . 1 . . . A 89 LEU H . 30127 1 706 . 1 1 89 89 LEU HD11 H 1 0.506 0.010 . 1 . . . A 89 LEU HD11 . 30127 1 707 . 1 1 89 89 LEU HD12 H 1 0.506 0.010 . 1 . . . A 89 LEU HD12 . 30127 1 708 . 1 1 89 89 LEU HD13 H 1 0.506 0.010 . 1 . . . A 89 LEU HD13 . 30127 1 709 . 1 1 89 89 LEU HD21 H 1 0.602 0.010 . 1 . . . A 89 LEU HD21 . 30127 1 710 . 1 1 89 89 LEU HD22 H 1 0.602 0.010 . 1 . . . A 89 LEU HD22 . 30127 1 711 . 1 1 89 89 LEU HD23 H 1 0.602 0.010 . 1 . . . A 89 LEU HD23 . 30127 1 712 . 1 1 89 89 LEU C C 13 179.121 0.200 . 1 . . . A 89 LEU C . 30127 1 713 . 1 1 89 89 LEU CA C 13 57.749 0.200 . 1 . . . A 89 LEU CA . 30127 1 714 . 1 1 89 89 LEU CB C 13 41.688 0.200 . 1 . . . A 89 LEU CB . 30127 1 715 . 1 1 89 89 LEU CD1 C 13 26.063 0.200 . 1 . . . A 89 LEU CD1 . 30127 1 716 . 1 1 89 89 LEU CD2 C 13 23.040 0.200 . 1 . . . A 89 LEU CD2 . 30127 1 717 . 1 1 89 89 LEU N N 15 119.183 0.200 . 1 . . . A 89 LEU N . 30127 1 718 . 1 1 90 90 SER H H 1 8.398 0.010 . 1 . . . A 90 SER H . 30127 1 719 . 1 1 90 90 SER C C 13 176.273 0.200 . 1 . . . A 90 SER C . 30127 1 720 . 1 1 90 90 SER CA C 13 61.789 0.200 . 1 . . . A 90 SER CA . 30127 1 721 . 1 1 90 90 SER CB C 13 63.040 0.200 . 1 . . . A 90 SER CB . 30127 1 722 . 1 1 90 90 SER N N 15 113.954 0.200 . 1 . . . A 90 SER N . 30127 1 723 . 1 1 91 91 SER H H 1 7.676 0.010 . 1 . . . A 91 SER H . 30127 1 724 . 1 1 91 91 SER C C 13 175.269 0.200 . 1 . . . A 91 SER C . 30127 1 725 . 1 1 91 91 SER CA C 13 60.561 0.200 . 1 . . . A 91 SER CA . 30127 1 726 . 1 1 91 91 SER CB C 13 63.482 0.200 . 1 . . . A 91 SER CB . 30127 1 727 . 1 1 91 91 SER N N 15 116.188 0.200 . 1 . . . A 91 SER N . 30127 1 728 . 1 1 92 92 LEU H H 1 7.683 0.010 . 1 . . . A 92 LEU H . 30127 1 729 . 1 1 92 92 LEU HD11 H 1 0.620 0.010 . 1 . . . A 92 LEU HD11 . 30127 1 730 . 1 1 92 92 LEU HD12 H 1 0.620 0.010 . 1 . . . A 92 LEU HD12 . 30127 1 731 . 1 1 92 92 LEU HD13 H 1 0.620 0.010 . 1 . . . A 92 LEU HD13 . 30127 1 732 . 1 1 92 92 LEU HD21 H 1 0.713 0.010 . 1 . . . A 92 LEU HD21 . 30127 1 733 . 1 1 92 92 LEU HD22 H 1 0.713 0.010 . 1 . . . A 92 LEU HD22 . 30127 1 734 . 1 1 92 92 LEU HD23 H 1 0.713 0.010 . 1 . . . A 92 LEU HD23 . 30127 1 735 . 1 1 92 92 LEU C C 13 178.313 0.200 . 1 . . . A 92 LEU C . 30127 1 736 . 1 1 92 92 LEU CA C 13 56.497 0.200 . 1 . . . A 92 LEU CA . 30127 1 737 . 1 1 92 92 LEU CB C 13 41.954 0.200 . 1 . . . A 92 LEU CB . 30127 1 738 . 1 1 92 92 LEU CD1 C 13 26.386 0.200 . 1 . . . A 92 LEU CD1 . 30127 1 739 . 1 1 92 92 LEU CD2 C 13 22.203 0.200 . 1 . . . A 92 LEU CD2 . 30127 1 740 . 1 1 92 92 LEU N N 15 121.807 0.200 . 1 . . . A 92 LEU N . 30127 1 741 . 1 1 93 93 ILE H H 1 7.656 0.010 . 1 . . . A 93 ILE H . 30127 1 742 . 1 1 93 93 ILE HD11 H 1 0.855 0.010 . 1 . . . A 93 ILE HD11 . 30127 1 743 . 1 1 93 93 ILE HD12 H 1 0.855 0.010 . 1 . . . A 93 ILE HD12 . 30127 1 744 . 1 1 93 93 ILE HD13 H 1 0.855 0.010 . 1 . . . A 93 ILE HD13 . 30127 1 745 . 1 1 93 93 ILE C C 13 177.275 0.200 . 1 . . . A 93 ILE C . 30127 1 746 . 1 1 93 93 ILE CA C 13 63.243 0.200 . 1 . . . A 93 ILE CA . 30127 1 747 . 1 1 93 93 ILE CB C 13 37.846 0.200 . 1 . . . A 93 ILE CB . 30127 1 748 . 1 1 93 93 ILE CD1 C 13 13.194 0.200 . 1 . . . A 93 ILE CD1 . 30127 1 749 . 1 1 93 93 ILE N N 15 119.011 0.200 . 1 . . . A 93 ILE N . 30127 1 750 . 1 1 94 94 GLY H H 1 8.312 0.010 . 1 . . . A 94 GLY H . 30127 1 751 . 1 1 94 94 GLY C C 13 174.543 0.200 . 1 . . . A 94 GLY C . 30127 1 752 . 1 1 94 94 GLY CA C 13 45.876 0.200 . 1 . . . A 94 GLY CA . 30127 1 753 . 1 1 94 94 GLY N N 15 110.931 0.200 . 1 . . . A 94 GLY N . 30127 1 754 . 1 1 95 95 GLN H H 1 7.951 0.010 . 1 . . . A 95 GLN H . 30127 1 755 . 1 1 95 95 GLN C C 13 176.365 0.200 . 1 . . . A 95 GLN C . 30127 1 756 . 1 1 95 95 GLN CA C 13 56.493 0.200 . 1 . . . A 95 GLN CA . 30127 1 757 . 1 1 95 95 GLN CB C 13 29.218 0.200 . 1 . . . A 95 GLN CB . 30127 1 758 . 1 1 95 95 GLN N N 15 119.335 0.200 . 1 . . . A 95 GLN N . 30127 1 759 . 1 1 96 96 VAL H H 1 8.095 0.010 . 1 . . . A 96 VAL H . 30127 1 760 . 1 1 96 96 VAL HG11 H 1 0.933 0.010 . 1 . . . A 96 VAL HG11 . 30127 1 761 . 1 1 96 96 VAL HG12 H 1 0.933 0.010 . 1 . . . A 96 VAL HG12 . 30127 1 762 . 1 1 96 96 VAL HG13 H 1 0.933 0.010 . 1 . . . A 96 VAL HG13 . 30127 1 763 . 1 1 96 96 VAL HG21 H 1 0.865 0.010 . 1 . . . A 96 VAL HG21 . 30127 1 764 . 1 1 96 96 VAL HG22 H 1 0.865 0.010 . 1 . . . A 96 VAL HG22 . 30127 1 765 . 1 1 96 96 VAL HG23 H 1 0.865 0.010 . 1 . . . A 96 VAL HG23 . 30127 1 766 . 1 1 96 96 VAL C C 13 176.301 0.200 . 1 . . . A 96 VAL C . 30127 1 767 . 1 1 96 96 VAL CA C 13 63.366 0.200 . 1 . . . A 96 VAL CA . 30127 1 768 . 1 1 96 96 VAL CB C 13 32.152 0.200 . 1 . . . A 96 VAL CB . 30127 1 769 . 1 1 96 96 VAL CG1 C 13 20.749 0.200 . 1 . . . A 96 VAL CG1 . 30127 1 770 . 1 1 96 96 VAL CG2 C 13 21.171 0.200 . 1 . . . A 96 VAL CG2 . 30127 1 771 . 1 1 96 96 VAL N N 15 120.459 0.200 . 1 . . . A 96 VAL N . 30127 1 772 . 1 1 97 97 LEU H H 1 8.140 0.010 . 1 . . . A 97 LEU H . 30127 1 773 . 1 1 97 97 LEU HD11 H 1 0.865 0.010 . 1 . . . A 97 LEU HD11 . 30127 1 774 . 1 1 97 97 LEU HD12 H 1 0.865 0.010 . 1 . . . A 97 LEU HD12 . 30127 1 775 . 1 1 97 97 LEU HD13 H 1 0.865 0.010 . 1 . . . A 97 LEU HD13 . 30127 1 776 . 1 1 97 97 LEU HD21 H 1 0.798 0.010 . 1 . . . A 97 LEU HD21 . 30127 1 777 . 1 1 97 97 LEU HD22 H 1 0.798 0.010 . 1 . . . A 97 LEU HD22 . 30127 1 778 . 1 1 97 97 LEU HD23 H 1 0.798 0.010 . 1 . . . A 97 LEU HD23 . 30127 1 779 . 1 1 97 97 LEU C C 13 177.050 0.200 . 1 . . . A 97 LEU C . 30127 1 780 . 1 1 97 97 LEU CA C 13 55.539 0.200 . 1 . . . A 97 LEU CA . 30127 1 781 . 1 1 97 97 LEU CB C 13 42.141 0.200 . 1 . . . A 97 LEU CB . 30127 1 782 . 1 1 97 97 LEU CD1 C 13 24.800 0.200 . 1 . . . A 97 LEU CD1 . 30127 1 783 . 1 1 97 97 LEU CD2 C 13 23.373 0.200 . 1 . . . A 97 LEU CD2 . 30127 1 784 . 1 1 97 97 LEU N N 15 124.075 0.200 . 1 . . . A 97 LEU N . 30127 1 785 . 1 1 98 98 PHE H H 1 8.153 0.010 . 1 . . . A 98 PHE H . 30127 1 786 . 1 1 98 98 PHE HB2 H 1 3.101 0.010 . 1 . . . A 98 PHE HB2 . 30127 1 787 . 1 1 98 98 PHE HB3 H 1 3.068 0.010 . 1 . . . A 98 PHE HB3 . 30127 1 788 . 1 1 98 98 PHE HD1 H 1 7.249 0.010 . 1 . . . A 98 PHE HD1 . 30127 1 789 . 1 1 98 98 PHE HD2 H 1 7.249 0.010 . 1 . . . A 98 PHE HD2 . 30127 1 790 . 1 1 98 98 PHE HE1 H 1 7.329 0.010 . 1 . . . A 98 PHE HE1 . 30127 1 791 . 1 1 98 98 PHE HE2 H 1 7.329 0.010 . 1 . . . A 98 PHE HE2 . 30127 1 792 . 1 1 98 98 PHE HZ H 1 7.273 0.010 . 1 . . . A 98 PHE HZ . 30127 1 793 . 1 1 98 98 PHE C C 13 175.499 0.200 . 1 . . . A 98 PHE C . 30127 1 794 . 1 1 98 98 PHE CA C 13 58.203 0.200 . 1 . . . A 98 PHE CA . 30127 1 795 . 1 1 98 98 PHE CB C 13 39.363 0.200 . 1 . . . A 98 PHE CB . 30127 1 796 . 1 1 98 98 PHE CD1 C 13 132.045 0.200 . 1 . . . A 98 PHE CD1 . 30127 1 797 . 1 1 98 98 PHE CD2 C 13 132.045 0.200 . 1 . . . A 98 PHE CD2 . 30127 1 798 . 1 1 98 98 PHE CE1 C 13 131.336 0.200 . 1 . . . A 98 PHE CE1 . 30127 1 799 . 1 1 98 98 PHE CE2 C 13 131.336 0.200 . 1 . . . A 98 PHE CE2 . 30127 1 800 . 1 1 98 98 PHE CZ C 13 129.815 0.200 . 1 . . . A 98 PHE CZ . 30127 1 801 . 1 1 98 98 PHE N N 15 120.319 0.200 . 1 . . . A 98 PHE N . 30127 1 802 . 1 1 99 99 GLN H H 1 8.220 0.010 . 1 . . . A 99 GLN H . 30127 1 803 . 1 1 99 99 GLN C C 13 175.754 0.200 . 1 . . . A 99 GLN C . 30127 1 804 . 1 1 99 99 GLN CA C 13 55.876 0.200 . 1 . . . A 99 GLN CA . 30127 1 805 . 1 1 99 99 GLN CB C 13 29.723 0.200 . 1 . . . A 99 GLN CB . 30127 1 806 . 1 1 99 99 GLN N N 15 121.034 0.200 . 1 . . . A 99 GLN N . 30127 1 807 . 1 1 100 100 GLY H H 1 7.971 0.010 . 1 . . . A 100 GLY H . 30127 1 808 . 1 1 100 100 GLY CA C 13 44.999 0.200 . 1 . . . A 100 GLY CA . 30127 1 809 . 1 1 100 100 GLY N N 15 109.617 0.200 . 1 . . . A 100 GLY N . 30127 1 810 . 1 1 101 101 PRO C C 13 177.657 0.200 . 1 . . . A 101 PRO C . 30127 1 811 . 1 1 102 102 SER H H 1 8.373 0.010 . 1 . . . A 102 SER H . 30127 1 812 . 1 1 102 102 SER C C 13 174.568 0.200 . 1 . . . A 102 SER C . 30127 1 813 . 1 1 102 102 SER CA C 13 58.999 0.200 . 1 . . . A 102 SER CA . 30127 1 814 . 1 1 102 102 SER CB C 13 63.614 0.200 . 1 . . . A 102 SER CB . 30127 1 815 . 1 1 102 102 SER N N 15 115.170 0.200 . 1 . . . A 102 SER N . 30127 1 816 . 1 1 103 103 ALA H H 1 8.139 0.010 . 1 . . . A 103 ALA H . 30127 1 817 . 1 1 103 103 ALA HB1 H 1 1.383 0.010 . 1 . . . A 103 ALA HB1 . 30127 1 818 . 1 1 103 103 ALA HB2 H 1 1.383 0.010 . 1 . . . A 103 ALA HB2 . 30127 1 819 . 1 1 103 103 ALA HB3 H 1 1.383 0.010 . 1 . . . A 103 ALA HB3 . 30127 1 820 . 1 1 103 103 ALA C C 13 178.194 0.200 . 1 . . . A 103 ALA C . 30127 1 821 . 1 1 103 103 ALA CA C 13 53.514 0.200 . 1 . . . A 103 ALA CA . 30127 1 822 . 1 1 103 103 ALA CB C 13 18.963 0.200 . 1 . . . A 103 ALA CB . 30127 1 823 . 1 1 103 103 ALA N N 15 125.185 0.200 . 1 . . . A 103 ALA N . 30127 1 824 . 1 1 104 104 GLY H H 1 8.249 0.010 . 1 . . . A 104 GLY H . 30127 1 825 . 1 1 104 104 GLY C C 13 173.995 0.200 . 1 . . . A 104 GLY C . 30127 1 826 . 1 1 104 104 GLY CA C 13 45.552 0.200 . 1 . . . A 104 GLY CA . 30127 1 827 . 1 1 104 104 GLY N N 15 107.114 0.200 . 1 . . . A 104 GLY N . 30127 1 828 . 1 1 105 105 LEU H H 1 7.979 0.010 . 1 . . . A 105 LEU H . 30127 1 829 . 1 1 105 105 LEU HD11 H 1 0.887 0.010 . 1 . . . A 105 LEU HD11 . 30127 1 830 . 1 1 105 105 LEU HD12 H 1 0.887 0.010 . 1 . . . A 105 LEU HD12 . 30127 1 831 . 1 1 105 105 LEU HD13 H 1 0.887 0.010 . 1 . . . A 105 LEU HD13 . 30127 1 832 . 1 1 105 105 LEU HD21 H 1 0.833 0.010 . 1 . . . A 105 LEU HD21 . 30127 1 833 . 1 1 105 105 LEU HD22 H 1 0.833 0.010 . 1 . . . A 105 LEU HD22 . 30127 1 834 . 1 1 105 105 LEU HD23 H 1 0.833 0.010 . 1 . . . A 105 LEU HD23 . 30127 1 835 . 1 1 105 105 LEU C C 13 177.106 0.200 . 1 . . . A 105 LEU C . 30127 1 836 . 1 1 105 105 LEU CA C 13 55.521 0.200 . 1 . . . A 105 LEU CA . 30127 1 837 . 1 1 105 105 LEU CB C 13 42.138 0.200 . 1 . . . A 105 LEU CB . 30127 1 838 . 1 1 105 105 LEU CD1 C 13 24.863 0.200 . 1 . . . A 105 LEU CD1 . 30127 1 839 . 1 1 105 105 LEU CD2 C 13 23.323 0.200 . 1 . . . A 105 LEU CD2 . 30127 1 840 . 1 1 105 105 LEU N N 15 121.110 0.200 . 1 . . . A 105 LEU N . 30127 1 841 . 1 1 106 106 VAL H H 1 7.933 0.010 . 1 . . . A 106 VAL H . 30127 1 842 . 1 1 106 106 VAL HG11 H 1 0.918 0.010 . 1 . . . A 106 VAL HG11 . 30127 1 843 . 1 1 106 106 VAL HG12 H 1 0.918 0.010 . 1 . . . A 106 VAL HG12 . 30127 1 844 . 1 1 106 106 VAL HG13 H 1 0.918 0.010 . 1 . . . A 106 VAL HG13 . 30127 1 845 . 1 1 106 106 VAL HG21 H 1 0.887 0.010 . 1 . . . A 106 VAL HG21 . 30127 1 846 . 1 1 106 106 VAL HG22 H 1 0.887 0.010 . 1 . . . A 106 VAL HG22 . 30127 1 847 . 1 1 106 106 VAL HG23 H 1 0.887 0.010 . 1 . . . A 106 VAL HG23 . 30127 1 848 . 1 1 106 106 VAL CA C 13 60.028 0.200 . 1 . . . A 106 VAL CA . 30127 1 849 . 1 1 106 106 VAL CB C 13 32.395 0.200 . 1 . . . A 106 VAL CB . 30127 1 850 . 1 1 106 106 VAL CG1 C 13 21.053 0.200 . 1 . . . A 106 VAL CG1 . 30127 1 851 . 1 1 106 106 VAL CG2 C 13 20.393 0.200 . 1 . . . A 106 VAL CG2 . 30127 1 852 . 1 1 106 106 VAL N N 15 121.027 0.200 . 1 . . . A 106 VAL N . 30127 1 853 . 1 1 107 107 PRO C C 13 176.993 0.200 . 1 . . . A 107 PRO C . 30127 1 854 . 1 1 107 107 PRO CA C 13 63.543 0.200 . 1 . . . A 107 PRO CA . 30127 1 855 . 1 1 107 107 PRO CB C 13 31.161 0.200 . 1 . . . A 107 PRO CB . 30127 1 856 . 1 1 108 108 ARG H H 1 8.532 0.010 . 1 . . . A 108 ARG H . 30127 1 857 . 1 1 108 108 ARG CA C 13 56.753 0.200 . 1 . . . A 108 ARG CA . 30127 1 858 . 1 1 108 108 ARG CB C 13 30.448 0.200 . 1 . . . A 108 ARG CB . 30127 1 859 . 1 1 108 108 ARG N N 15 121.874 0.200 . 1 . . . A 108 ARG N . 30127 1 860 . 1 1 109 109 GLY H H 1 8.545 0.010 . 1 . . . A 109 GLY H . 30127 1 861 . 1 1 109 109 GLY CA C 13 45.436 0.200 . 1 . . . A 109 GLY CA . 30127 1 862 . 1 1 109 109 GLY N N 15 110.232 0.200 . 1 . . . A 109 GLY N . 30127 1 863 . 1 1 110 110 SER CA C 13 59.277 0.200 . 1 . . . A 110 SER CA . 30127 1 864 . 1 1 111 111 GLY H H 1 8.625 0.010 . 1 . . . A 111 GLY H . 30127 1 865 . 1 1 111 111 GLY C C 13 175.307 0.200 . 1 . . . A 111 GLY C . 30127 1 866 . 1 1 111 111 GLY CA C 13 45.737 0.200 . 1 . . . A 111 GLY CA . 30127 1 867 . 1 1 111 111 GLY N N 15 110.746 0.200 . 1 . . . A 111 GLY N . 30127 1 868 . 1 1 112 112 GLY H H 1 8.291 0.010 . 1 . . . A 112 GLY H . 30127 1 869 . 1 1 112 112 GLY C C 13 175.042 0.200 . 1 . . . A 112 GLY C . 30127 1 870 . 1 1 112 112 GLY CA C 13 45.744 0.200 . 1 . . . A 112 GLY CA . 30127 1 871 . 1 1 112 112 GLY N N 15 109.043 0.200 . 1 . . . A 112 GLY N . 30127 1 872 . 1 1 113 113 ILE H H 1 8.377 0.010 . 1 . . . A 113 ILE H . 30127 1 873 . 1 1 113 113 ILE HD11 H 1 0.861 0.010 . 1 . . . A 113 ILE HD11 . 30127 1 874 . 1 1 113 113 ILE HD12 H 1 0.861 0.010 . 1 . . . A 113 ILE HD12 . 30127 1 875 . 1 1 113 113 ILE HD13 H 1 0.861 0.010 . 1 . . . A 113 ILE HD13 . 30127 1 876 . 1 1 113 113 ILE C C 13 177.791 0.200 . 1 . . . A 113 ILE C . 30127 1 877 . 1 1 113 113 ILE CA C 13 64.052 0.200 . 1 . . . A 113 ILE CA . 30127 1 878 . 1 1 113 113 ILE CB C 13 37.776 0.200 . 1 . . . A 113 ILE CB . 30127 1 879 . 1 1 113 113 ILE CD1 C 13 13.188 0.200 . 1 . . . A 113 ILE CD1 . 30127 1 880 . 1 1 113 113 ILE N N 15 121.621 0.200 . 1 . . . A 113 ILE N . 30127 1 881 . 1 1 114 114 GLU H H 1 9.032 0.010 . 1 . . . A 114 GLU H . 30127 1 882 . 1 1 114 114 GLU C C 13 178.804 0.200 . 1 . . . A 114 GLU C . 30127 1 883 . 1 1 114 114 GLU CA C 13 59.456 0.200 . 1 . . . A 114 GLU CA . 30127 1 884 . 1 1 114 114 GLU CB C 13 28.978 0.200 . 1 . . . A 114 GLU CB . 30127 1 885 . 1 1 114 114 GLU N N 15 123.108 0.200 . 1 . . . A 114 GLU N . 30127 1 886 . 1 1 115 115 GLY H H 1 8.200 0.010 . 1 . . . A 115 GLY H . 30127 1 887 . 1 1 115 115 GLY C C 13 176.162 0.200 . 1 . . . A 115 GLY C . 30127 1 888 . 1 1 115 115 GLY CA C 13 46.834 0.200 . 1 . . . A 115 GLY CA . 30127 1 889 . 1 1 115 115 GLY N N 15 108.943 0.200 . 1 . . . A 115 GLY N . 30127 1 890 . 1 1 116 116 MET H H 1 8.072 0.010 . 1 . . . A 1001 MET H . 30127 1 891 . 1 1 116 116 MET HE1 H 1 2.012 0.010 . 1 . . . A 1001 MET HE1 . 30127 1 892 . 1 1 116 116 MET HE2 H 1 2.012 0.010 . 1 . . . A 1001 MET HE2 . 30127 1 893 . 1 1 116 116 MET HE3 H 1 2.012 0.010 . 1 . . . A 1001 MET HE3 . 30127 1 894 . 1 1 116 116 MET CA C 13 58.633 0.200 . 1 . . . A 1001 MET CA . 30127 1 895 . 1 1 116 116 MET CB C 13 31.666 0.200 . 1 . . . A 1001 MET CB . 30127 1 896 . 1 1 116 116 MET CE C 13 16.865 0.200 . 1 . . . A 1001 MET CE . 30127 1 897 . 1 1 116 116 MET N N 15 121.198 0.200 . 1 . . . A 1001 MET N . 30127 1 898 . 1 1 117 117 THR H H 1 8.623 0.010 . 1 . . . A 1002 THR H . 30127 1 899 . 1 1 117 117 THR HG21 H 1 1.183 0.010 . 1 . . . A 1002 THR HG21 . 30127 1 900 . 1 1 117 117 THR HG22 H 1 1.183 0.010 . 1 . . . A 1002 THR HG22 . 30127 1 901 . 1 1 117 117 THR HG23 H 1 1.183 0.010 . 1 . . . A 1002 THR HG23 . 30127 1 902 . 1 1 117 117 THR C C 13 177.821 0.200 . 1 . . . A 1002 THR C . 30127 1 903 . 1 1 117 117 THR CA C 13 66.915 0.200 . 1 . . . A 1002 THR CA . 30127 1 904 . 1 1 117 117 THR CB C 13 68.085 0.200 . 1 . . . A 1002 THR CB . 30127 1 905 . 1 1 117 117 THR CG2 C 13 22.445 0.200 . 1 . . . A 1002 THR CG2 . 30127 1 906 . 1 1 117 117 THR N N 15 113.051 0.200 . 1 . . . A 1002 THR N . 30127 1 907 . 1 1 118 118 THR H H 1 8.073 0.010 . 1 . . . A 1003 THR H . 30127 1 908 . 1 1 118 118 THR HG21 H 1 1.276 0.010 . 1 . . . A 1003 THR HG21 . 30127 1 909 . 1 1 118 118 THR HG22 H 1 1.276 0.010 . 1 . . . A 1003 THR HG22 . 30127 1 910 . 1 1 118 118 THR HG23 H 1 1.276 0.010 . 1 . . . A 1003 THR HG23 . 30127 1 911 . 1 1 118 118 THR C C 13 176.777 0.200 . 1 . . . A 1003 THR C . 30127 1 912 . 1 1 118 118 THR CA C 13 67.042 0.200 . 1 . . . A 1003 THR CA . 30127 1 913 . 1 1 118 118 THR CB C 13 68.630 0.200 . 1 . . . A 1003 THR CB . 30127 1 914 . 1 1 118 118 THR CG2 C 13 21.730 0.200 . 1 . . . A 1003 THR CG2 . 30127 1 915 . 1 1 118 118 THR N N 15 120.561 0.200 . 1 . . . A 1003 THR N . 30127 1 916 . 1 1 119 119 ARG H H 1 7.785 0.010 . 1 . . . A 1004 ARG H . 30127 1 917 . 1 1 119 119 ARG C C 13 178.825 0.200 . 1 . . . A 1004 ARG C . 30127 1 918 . 1 1 119 119 ARG CA C 13 60.181 0.200 . 1 . . . A 1004 ARG CA . 30127 1 919 . 1 1 119 119 ARG CB C 13 30.169 0.200 . 1 . . . A 1004 ARG CB . 30127 1 920 . 1 1 119 119 ARG N N 15 121.692 0.200 . 1 . . . A 1004 ARG N . 30127 1 921 . 1 1 120 120 LEU H H 1 8.558 0.010 . 1 . . . A 1005 LEU H . 30127 1 922 . 1 1 120 120 LEU HD11 H 1 0.929 0.010 . 1 . . . A 1005 LEU HD11 . 30127 1 923 . 1 1 120 120 LEU HD12 H 1 0.929 0.010 . 1 . . . A 1005 LEU HD12 . 30127 1 924 . 1 1 120 120 LEU HD13 H 1 0.929 0.010 . 1 . . . A 1005 LEU HD13 . 30127 1 925 . 1 1 120 120 LEU HD21 H 1 0.643 0.010 . 1 . . . A 1005 LEU HD21 . 30127 1 926 . 1 1 120 120 LEU HD22 H 1 0.643 0.010 . 1 . . . A 1005 LEU HD22 . 30127 1 927 . 1 1 120 120 LEU HD23 H 1 0.643 0.010 . 1 . . . A 1005 LEU HD23 . 30127 1 928 . 1 1 120 120 LEU C C 13 179.063 0.200 . 1 . . . A 1005 LEU C . 30127 1 929 . 1 1 120 120 LEU CA C 13 58.877 0.200 . 1 . . . A 1005 LEU CA . 30127 1 930 . 1 1 120 120 LEU CB C 13 41.641 0.200 . 1 . . . A 1005 LEU CB . 30127 1 931 . 1 1 120 120 LEU CD1 C 13 25.851 0.200 . 1 . . . A 1005 LEU CD1 . 30127 1 932 . 1 1 120 120 LEU CD2 C 13 22.043 0.200 . 1 . . . A 1005 LEU CD2 . 30127 1 933 . 1 1 120 120 LEU N N 15 118.109 0.200 . 1 . . . A 1005 LEU N . 30127 1 934 . 1 1 121 121 THR H H 1 8.221 0.010 . 1 . . . A 1006 THR H . 30127 1 935 . 1 1 121 121 THR HG21 H 1 1.294 0.010 . 1 . . . A 1006 THR HG21 . 30127 1 936 . 1 1 121 121 THR HG22 H 1 1.294 0.010 . 1 . . . A 1006 THR HG22 . 30127 1 937 . 1 1 121 121 THR HG23 H 1 1.294 0.010 . 1 . . . A 1006 THR HG23 . 30127 1 938 . 1 1 121 121 THR C C 13 176.426 0.200 . 1 . . . A 1006 THR C . 30127 1 939 . 1 1 121 121 THR CA C 13 67.865 0.200 . 1 . . . A 1006 THR CA . 30127 1 940 . 1 1 121 121 THR CB C 13 68.905 0.200 . 1 . . . A 1006 THR CB . 30127 1 941 . 1 1 121 121 THR CG2 C 13 21.269 0.200 . 1 . . . A 1006 THR CG2 . 30127 1 942 . 1 1 121 121 THR N N 15 114.665 0.200 . 1 . . . A 1006 THR N . 30127 1 943 . 1 1 122 122 ARG H H 1 7.883 0.010 . 1 . . . A 1007 ARG H . 30127 1 944 . 1 1 122 122 ARG C C 13 179.854 0.200 . 1 . . . A 1007 ARG C . 30127 1 945 . 1 1 122 122 ARG CA C 13 60.452 0.200 . 1 . . . A 1007 ARG CA . 30127 1 946 . 1 1 122 122 ARG CB C 13 29.538 0.200 . 1 . . . A 1007 ARG CB . 30127 1 947 . 1 1 122 122 ARG N N 15 123.517 0.200 . 1 . . . A 1007 ARG N . 30127 1 948 . 1 1 123 123 TRP H H 1 8.243 0.010 . 1 . . . A 1008 TRP H . 30127 1 949 . 1 1 123 123 TRP HB2 H 1 3.549 0.010 . 1 . . . A 1008 TRP HB2 . 30127 1 950 . 1 1 123 123 TRP HB3 H 1 3.223 0.010 . 1 . . . A 1008 TRP HB3 . 30127 1 951 . 1 1 123 123 TRP HD1 H 1 7.656 0.010 . 1 . . . A 1008 TRP HD1 . 30127 1 952 . 1 1 123 123 TRP HE1 H 1 9.806 0.010 . 1 . . . A 1008 TRP HE1 . 30127 1 953 . 1 1 123 123 TRP HZ2 H 1 7.275 0.010 . 1 . . . A 1008 TRP HZ2 . 30127 1 954 . 1 1 123 123 TRP HZ3 H 1 6.830 0.010 . 1 . . . A 1008 TRP HZ3 . 30127 1 955 . 1 1 123 123 TRP HH2 H 1 7.215 0.010 . 1 . . . A 1008 TRP HH2 . 30127 1 956 . 1 1 123 123 TRP C C 13 178.372 0.200 . 1 . . . A 1008 TRP C . 30127 1 957 . 1 1 123 123 TRP CA C 13 62.143 0.200 . 1 . . . A 1008 TRP CA . 30127 1 958 . 1 1 123 123 TRP CB C 13 28.641 0.200 . 1 . . . A 1008 TRP CB . 30127 1 959 . 1 1 123 123 TRP CD1 C 13 125.987 0.200 . 1 . . . A 1008 TRP CD1 . 30127 1 960 . 1 1 123 123 TRP CZ2 C 13 113.502 0.200 . 1 . . . A 1008 TRP CZ2 . 30127 1 961 . 1 1 123 123 TRP CZ3 C 13 118.320 0.200 . 1 . . . A 1008 TRP CZ3 . 30127 1 962 . 1 1 123 123 TRP CH2 C 13 124.455 0.200 . 1 . . . A 1008 TRP CH2 . 30127 1 963 . 1 1 123 123 TRP N N 15 121.448 0.200 . 1 . . . A 1008 TRP N . 30127 1 964 . 1 1 123 123 TRP NE1 N 15 129.086 0.200 . 1 . . . A 1008 TRP NE1 . 30127 1 965 . 1 1 124 124 LEU H H 1 8.468 0.010 . 1 . . . A 1009 LEU H . 30127 1 966 . 1 1 124 124 LEU HD11 H 1 0.816 0.010 . 1 . . . A 1009 LEU HD11 . 30127 1 967 . 1 1 124 124 LEU HD12 H 1 0.816 0.010 . 1 . . . A 1009 LEU HD12 . 30127 1 968 . 1 1 124 124 LEU HD13 H 1 0.816 0.010 . 1 . . . A 1009 LEU HD13 . 30127 1 969 . 1 1 124 124 LEU HD21 H 1 1.025 0.010 . 1 . . . A 1009 LEU HD21 . 30127 1 970 . 1 1 124 124 LEU HD22 H 1 1.025 0.010 . 1 . . . A 1009 LEU HD22 . 30127 1 971 . 1 1 124 124 LEU HD23 H 1 1.025 0.010 . 1 . . . A 1009 LEU HD23 . 30127 1 972 . 1 1 124 124 LEU C C 13 179.013 0.200 . 1 . . . A 1009 LEU C . 30127 1 973 . 1 1 124 124 LEU CA C 13 59.474 0.200 . 1 . . . A 1009 LEU CA . 30127 1 974 . 1 1 124 124 LEU CB C 13 41.302 0.200 . 1 . . . A 1009 LEU CB . 30127 1 975 . 1 1 124 124 LEU CD1 C 13 26.115 0.200 . 1 . . . A 1009 LEU CD1 . 30127 1 976 . 1 1 124 124 LEU CD2 C 13 24.821 0.200 . 1 . . . A 1009 LEU CD2 . 30127 1 977 . 1 1 124 124 LEU N N 15 119.157 0.200 . 1 . . . A 1009 LEU N . 30127 1 978 . 1 1 125 125 THR H H 1 8.402 0.010 . 1 . . . A 1010 THR H . 30127 1 979 . 1 1 125 125 THR HG21 H 1 1.295 0.010 . 1 . . . A 1010 THR HG21 . 30127 1 980 . 1 1 125 125 THR HG22 H 1 1.295 0.010 . 1 . . . A 1010 THR HG22 . 30127 1 981 . 1 1 125 125 THR HG23 H 1 1.295 0.010 . 1 . . . A 1010 THR HG23 . 30127 1 982 . 1 1 125 125 THR C C 13 176.410 0.200 . 1 . . . A 1010 THR C . 30127 1 983 . 1 1 125 125 THR CA C 13 66.886 0.200 . 1 . . . A 1010 THR CA . 30127 1 984 . 1 1 125 125 THR CB C 13 69.321 0.200 . 1 . . . A 1010 THR CB . 30127 1 985 . 1 1 125 125 THR CG2 C 13 21.725 0.200 . 1 . . . A 1010 THR CG2 . 30127 1 986 . 1 1 125 125 THR N N 15 115.393 0.200 . 1 . . . A 1010 THR N . 30127 1 987 . 1 1 126 126 ALA H H 1 7.838 0.010 . 1 . . . A 1011 ALA H . 30127 1 988 . 1 1 126 126 ALA HB1 H 1 1.538 0.010 . 1 . . . A 1011 ALA HB1 . 30127 1 989 . 1 1 126 126 ALA HB2 H 1 1.538 0.010 . 1 . . . A 1011 ALA HB2 . 30127 1 990 . 1 1 126 126 ALA HB3 H 1 1.538 0.010 . 1 . . . A 1011 ALA HB3 . 30127 1 991 . 1 1 126 126 ALA C C 13 181.453 0.200 . 1 . . . A 1011 ALA C . 30127 1 992 . 1 1 126 126 ALA CA C 13 55.445 0.200 . 1 . . . A 1011 ALA CA . 30127 1 993 . 1 1 126 126 ALA CB C 13 18.637 0.200 . 1 . . . A 1011 ALA CB . 30127 1 994 . 1 1 126 126 ALA N N 15 124.203 0.200 . 1 . . . A 1011 ALA N . 30127 1 995 . 1 1 127 127 LEU H H 1 8.721 0.010 . 1 . . . A 1012 LEU H . 30127 1 996 . 1 1 127 127 LEU HD11 H 1 1.074 0.010 . 1 . . . A 1012 LEU HD11 . 30127 1 997 . 1 1 127 127 LEU HD12 H 1 1.074 0.010 . 1 . . . A 1012 LEU HD12 . 30127 1 998 . 1 1 127 127 LEU HD13 H 1 1.074 0.010 . 1 . . . A 1012 LEU HD13 . 30127 1 999 . 1 1 127 127 LEU HD21 H 1 1.085 0.010 . 1 . . . A 1012 LEU HD21 . 30127 1 1000 . 1 1 127 127 LEU HD22 H 1 1.085 0.010 . 1 . . . A 1012 LEU HD22 . 30127 1 1001 . 1 1 127 127 LEU HD23 H 1 1.085 0.010 . 1 . . . A 1012 LEU HD23 . 30127 1 1002 . 1 1 127 127 LEU C C 13 178.916 0.200 . 1 . . . A 1012 LEU C . 30127 1 1003 . 1 1 127 127 LEU CA C 13 58.744 0.200 . 1 . . . A 1012 LEU CA . 30127 1 1004 . 1 1 127 127 LEU CB C 13 39.110 0.200 . 1 . . . A 1012 LEU CB . 30127 1 1005 . 1 1 127 127 LEU CD1 C 13 25.322 0.200 . 1 . . . A 1012 LEU CD1 . 30127 1 1006 . 1 1 127 127 LEU CD2 C 13 22.214 0.200 . 1 . . . A 1012 LEU CD2 . 30127 1 1007 . 1 1 127 127 LEU N N 15 120.489 0.200 . 1 . . . A 1012 LEU N . 30127 1 1008 . 1 1 128 128 ASP H H 1 8.563 0.010 . 1 . . . A 1013 ASP H . 30127 1 1009 . 1 1 128 128 ASP C C 13 179.766 0.200 . 1 . . . A 1013 ASP C . 30127 1 1010 . 1 1 128 128 ASP CA C 13 58.423 0.200 . 1 . . . A 1013 ASP CA . 30127 1 1011 . 1 1 128 128 ASP CB C 13 40.343 0.200 . 1 . . . A 1013 ASP CB . 30127 1 1012 . 1 1 128 128 ASP N N 15 120.699 0.200 . 1 . . . A 1013 ASP N . 30127 1 1013 . 1 1 129 129 ASN H H 1 8.122 0.010 . 1 . . . A 1014 ASN H . 30127 1 1014 . 1 1 129 129 ASN C C 13 177.253 0.200 . 1 . . . A 1014 ASN C . 30127 1 1015 . 1 1 129 129 ASN CA C 13 56.529 0.200 . 1 . . . A 1014 ASN CA . 30127 1 1016 . 1 1 129 129 ASN CB C 13 38.433 0.200 . 1 . . . A 1014 ASN CB . 30127 1 1017 . 1 1 129 129 ASN N N 15 118.749 0.200 . 1 . . . A 1014 ASN N . 30127 1 1018 . 1 1 130 130 PHE H H 1 8.222 0.010 . 1 . . . A 1015 PHE H . 30127 1 1019 . 1 1 130 130 PHE HB2 H 1 3.317 0.010 . 1 . . . A 1015 PHE HB2 . 30127 1 1020 . 1 1 130 130 PHE HB3 H 1 2.745 0.010 . 1 . . . A 1015 PHE HB3 . 30127 1 1021 . 1 1 130 130 PHE HD1 H 1 7.262 0.010 . 1 . . . A 1015 PHE HD1 . 30127 1 1022 . 1 1 130 130 PHE HD2 H 1 7.262 0.010 . 1 . . . A 1015 PHE HD2 . 30127 1 1023 . 1 1 130 130 PHE HE1 H 1 7.251 0.010 . 1 . . . A 1015 PHE HE1 . 30127 1 1024 . 1 1 130 130 PHE HE2 H 1 7.251 0.010 . 1 . . . A 1015 PHE HE2 . 30127 1 1025 . 1 1 130 130 PHE HZ H 1 7.247 0.010 . 1 . . . A 1015 PHE HZ . 30127 1 1026 . 1 1 130 130 PHE C C 13 176.976 0.200 . 1 . . . A 1015 PHE C . 30127 1 1027 . 1 1 130 130 PHE CA C 13 60.525 0.200 . 1 . . . A 1015 PHE CA . 30127 1 1028 . 1 1 130 130 PHE CB C 13 39.077 0.200 . 1 . . . A 1015 PHE CB . 30127 1 1029 . 1 1 130 130 PHE CD1 C 13 131.863 0.200 . 1 . . . A 1015 PHE CD1 . 30127 1 1030 . 1 1 130 130 PHE CD2 C 13 131.879 0.200 . 1 . . . A 1015 PHE CD2 . 30127 1 1031 . 1 1 130 130 PHE CE1 C 13 130.887 0.200 . 1 . . . A 1015 PHE CE1 . 30127 1 1032 . 1 1 130 130 PHE CE2 C 13 130.887 0.200 . 1 . . . A 1015 PHE CE2 . 30127 1 1033 . 1 1 130 130 PHE CZ C 13 129.228 0.200 . 1 . . . A 1015 PHE CZ . 30127 1 1034 . 1 1 130 130 PHE N N 15 122.180 0.200 . 1 . . . A 1015 PHE N . 30127 1 1035 . 1 1 131 131 GLU H H 1 8.647 0.010 . 1 . . . A 1016 GLU H . 30127 1 1036 . 1 1 131 131 GLU C C 13 179.579 0.200 . 1 . . . A 1016 GLU C . 30127 1 1037 . 1 1 131 131 GLU CA C 13 60.044 0.200 . 1 . . . A 1016 GLU CA . 30127 1 1038 . 1 1 131 131 GLU CB C 13 29.209 0.200 . 1 . . . A 1016 GLU CB . 30127 1 1039 . 1 1 131 131 GLU N N 15 118.866 0.200 . 1 . . . A 1016 GLU N . 30127 1 1040 . 1 1 132 132 ALA H H 1 7.963 0.010 . 1 . . . A 1017 ALA H . 30127 1 1041 . 1 1 132 132 ALA HB1 H 1 1.539 0.010 . 1 . . . A 1017 ALA HB1 . 30127 1 1042 . 1 1 132 132 ALA HB2 H 1 1.539 0.010 . 1 . . . A 1017 ALA HB2 . 30127 1 1043 . 1 1 132 132 ALA HB3 H 1 1.539 0.010 . 1 . . . A 1017 ALA HB3 . 30127 1 1044 . 1 1 132 132 ALA C C 13 180.557 0.200 . 1 . . . A 1017 ALA C . 30127 1 1045 . 1 1 132 132 ALA CA C 13 55.096 0.200 . 1 . . . A 1017 ALA CA . 30127 1 1046 . 1 1 132 132 ALA CB C 13 17.860 0.200 . 1 . . . A 1017 ALA CB . 30127 1 1047 . 1 1 132 132 ALA N N 15 120.993 0.200 . 1 . . . A 1017 ALA N . 30127 1 1048 . 1 1 133 133 LYS H H 1 7.797 0.010 . 1 . . . A 1018 LYS H . 30127 1 1049 . 1 1 133 133 LYS C C 13 179.825 0.200 . 1 . . . A 1018 LYS C . 30127 1 1050 . 1 1 133 133 LYS CA C 13 58.830 0.200 . 1 . . . A 1018 LYS CA . 30127 1 1051 . 1 1 133 133 LYS CB C 13 32.098 0.200 . 1 . . . A 1018 LYS CB . 30127 1 1052 . 1 1 133 133 LYS N N 15 117.829 0.200 . 1 . . . A 1018 LYS N . 30127 1 1053 . 1 1 134 134 MET H H 1 8.157 0.010 . 1 . . . A 1019 MET H . 30127 1 1054 . 1 1 134 134 MET HG2 H 1 1.840 0.010 . 1 . . . A 1019 MET HG2 . 30127 1 1055 . 1 1 134 134 MET HG3 H 1 1.840 0.010 . 1 . . . A 1019 MET HG3 . 30127 1 1056 . 1 1 134 134 MET HE1 H 1 1.965 0.010 . 1 . . . A 1019 MET HE1 . 30127 1 1057 . 1 1 134 134 MET HE2 H 1 1.965 0.010 . 1 . . . A 1019 MET HE2 . 30127 1 1058 . 1 1 134 134 MET HE3 H 1 1.965 0.010 . 1 . . . A 1019 MET HE3 . 30127 1 1059 . 1 1 134 134 MET C C 13 178.311 0.200 . 1 . . . A 1019 MET C . 30127 1 1060 . 1 1 134 134 MET CA C 13 56.622 0.200 . 1 . . . A 1019 MET CA . 30127 1 1061 . 1 1 134 134 MET CB C 13 30.901 0.200 . 1 . . . A 1019 MET CB . 30127 1 1062 . 1 1 134 134 MET CE C 13 17.519 0.200 . 1 . . . A 1019 MET CE . 30127 1 1063 . 1 1 134 134 MET N N 15 118.355 0.200 . 1 . . . A 1019 MET N . 30127 1 1064 . 1 1 135 135 ALA H H 1 7.612 0.010 . 1 . . . A 1020 ALA H . 30127 1 1065 . 1 1 135 135 ALA HB1 H 1 1.458 0.010 . 1 . . . A 1020 ALA HB1 . 30127 1 1066 . 1 1 135 135 ALA HB2 H 1 1.458 0.010 . 1 . . . A 1020 ALA HB2 . 30127 1 1067 . 1 1 135 135 ALA HB3 H 1 1.458 0.010 . 1 . . . A 1020 ALA HB3 . 30127 1 1068 . 1 1 135 135 ALA C C 13 178.044 0.200 . 1 . . . A 1020 ALA C . 30127 1 1069 . 1 1 135 135 ALA CA C 13 53.808 0.200 . 1 . . . A 1020 ALA CA . 30127 1 1070 . 1 1 135 135 ALA CB C 13 18.139 0.200 . 1 . . . A 1020 ALA CB . 30127 1 1071 . 1 1 135 135 ALA N N 15 120.475 0.200 . 1 . . . A 1020 ALA N . 30127 1 1072 . 1 1 136 136 LEU H H 1 7.339 0.010 . 1 . . . A 1021 LEU H . 30127 1 1073 . 1 1 136 136 LEU HD11 H 1 0.936 0.010 . 1 . . . A 1021 LEU HD11 . 30127 1 1074 . 1 1 136 136 LEU HD12 H 1 0.936 0.010 . 1 . . . A 1021 LEU HD12 . 30127 1 1075 . 1 1 136 136 LEU HD13 H 1 0.936 0.010 . 1 . . . A 1021 LEU HD13 . 30127 1 1076 . 1 1 136 136 LEU HD21 H 1 0.859 0.010 . 1 . . . A 1021 LEU HD21 . 30127 1 1077 . 1 1 136 136 LEU HD22 H 1 0.859 0.010 . 1 . . . A 1021 LEU HD22 . 30127 1 1078 . 1 1 136 136 LEU HD23 H 1 0.859 0.010 . 1 . . . A 1021 LEU HD23 . 30127 1 1079 . 1 1 136 136 LEU C C 13 177.449 0.200 . 1 . . . A 1021 LEU C . 30127 1 1080 . 1 1 136 136 LEU CA C 13 55.115 0.200 . 1 . . . A 1021 LEU CA . 30127 1 1081 . 1 1 136 136 LEU CB C 13 42.115 0.200 . 1 . . . A 1021 LEU CB . 30127 1 1082 . 1 1 136 136 LEU CD1 C 13 25.220 0.200 . 1 . . . A 1021 LEU CD1 . 30127 1 1083 . 1 1 136 136 LEU CD2 C 13 22.664 0.200 . 1 . . . A 1021 LEU CD2 . 30127 1 1084 . 1 1 136 136 LEU N N 15 116.891 0.200 . 1 . . . A 1021 LEU N . 30127 1 1085 . 1 1 137 137 LEU H H 1 7.538 0.010 . 1 . . . A 1022 LEU H . 30127 1 1086 . 1 1 137 137 LEU HD11 H 1 1.040 0.010 . 1 . . . A 1022 LEU HD11 . 30127 1 1087 . 1 1 137 137 LEU HD12 H 1 1.040 0.010 . 1 . . . A 1022 LEU HD12 . 30127 1 1088 . 1 1 137 137 LEU HD13 H 1 1.040 0.010 . 1 . . . A 1022 LEU HD13 . 30127 1 1089 . 1 1 137 137 LEU HD21 H 1 0.977 0.010 . 1 . . . A 1022 LEU HD21 . 30127 1 1090 . 1 1 137 137 LEU HD22 H 1 0.977 0.010 . 1 . . . A 1022 LEU HD22 . 30127 1 1091 . 1 1 137 137 LEU HD23 H 1 0.977 0.010 . 1 . . . A 1022 LEU HD23 . 30127 1 1092 . 1 1 137 137 LEU CA C 13 53.852 0.200 . 1 . . . A 1022 LEU CA . 30127 1 1093 . 1 1 137 137 LEU CB C 13 41.273 0.200 . 1 . . . A 1022 LEU CB . 30127 1 1094 . 1 1 137 137 LEU CD1 C 13 25.536 0.200 . 1 . . . A 1022 LEU CD1 . 30127 1 1095 . 1 1 137 137 LEU CD2 C 13 23.471 0.200 . 1 . . . A 1022 LEU CD2 . 30127 1 1096 . 1 1 137 137 LEU N N 15 122.794 0.200 . 1 . . . A 1022 LEU N . 30127 1 1097 . 1 1 138 138 PRO C C 13 176.507 0.200 . 1 . . . A 1023 PRO C . 30127 1 1098 . 1 1 138 138 PRO CA C 13 63.403 0.200 . 1 . . . A 1023 PRO CA . 30127 1 1099 . 1 1 138 138 PRO CB C 13 31.807 0.200 . 1 . . . A 1023 PRO CB . 30127 1 1100 . 1 1 139 139 ALA H H 1 8.307 0.010 . 1 . . . A 1024 ALA H . 30127 1 1101 . 1 1 139 139 ALA HB1 H 1 1.370 0.010 . 1 . . . A 1024 ALA HB1 . 30127 1 1102 . 1 1 139 139 ALA HB2 H 1 1.370 0.010 . 1 . . . A 1024 ALA HB2 . 30127 1 1103 . 1 1 139 139 ALA HB3 H 1 1.370 0.010 . 1 . . . A 1024 ALA HB3 . 30127 1 1104 . 1 1 139 139 ALA C C 13 176.978 0.200 . 1 . . . A 1024 ALA C . 30127 1 1105 . 1 1 139 139 ALA CA C 13 52.689 0.200 . 1 . . . A 1024 ALA CA . 30127 1 1106 . 1 1 139 139 ALA CB C 13 19.122 0.200 . 1 . . . A 1024 ALA CB . 30127 1 1107 . 1 1 139 139 ALA N N 15 124.889 0.200 . 1 . . . A 1024 ALA N . 30127 1 1108 . 1 1 140 140 VAL H H 1 7.632 0.010 . 1 . . . A 1025 VAL H . 30127 1 1109 . 1 1 140 140 VAL HG11 H 1 0.845 0.010 . 1 . . . A 1025 VAL HG11 . 30127 1 1110 . 1 1 140 140 VAL HG12 H 1 0.845 0.010 . 1 . . . A 1025 VAL HG12 . 30127 1 1111 . 1 1 140 140 VAL HG13 H 1 0.845 0.010 . 1 . . . A 1025 VAL HG13 . 30127 1 1112 . 1 1 140 140 VAL HG21 H 1 0.882 0.010 . 1 . . . A 1025 VAL HG21 . 30127 1 1113 . 1 1 140 140 VAL HG22 H 1 0.882 0.010 . 1 . . . A 1025 VAL HG22 . 30127 1 1114 . 1 1 140 140 VAL HG23 H 1 0.882 0.010 . 1 . . . A 1025 VAL HG23 . 30127 1 1115 . 1 1 140 140 VAL CA C 13 63.804 0.200 . 1 . . . A 1025 VAL CA . 30127 1 1116 . 1 1 140 140 VAL CB C 13 32.972 0.200 . 1 . . . A 1025 VAL CB . 30127 1 1117 . 1 1 140 140 VAL CG1 C 13 20.103 0.200 . 1 . . . A 1025 VAL CG1 . 30127 1 1118 . 1 1 140 140 VAL CG2 C 13 21.621 0.200 . 1 . . . A 1025 VAL CG2 . 30127 1 1119 . 1 1 140 140 VAL N N 15 123.096 0.200 . 1 . . . A 1025 VAL N . 30127 1 stop_ save_