data_30480 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30480 _Entry.Title ; Consensus engineered intein (Cat) with atypical split site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-14 _Entry.Accession_date 2018-06-14 _Entry.Last_release_date 2018-07-06 _Entry.Original_release_date 2018-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30480 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 G. Sekar G. . . . 30480 2 A. Stevens A. J. . . 30480 3 T. Muir T. W. . . 30480 4 D. Cowburn D. . . . 30480 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Consensus Engineering' . 30480 'Intein Protein' . 30480 'Protein Engineering' . 30480 SPLICING . 30480 'Trans Splicing' . 30480 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30480 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 617 30480 '15N chemical shifts' 145 30480 '1H chemical shifts' 1010 30480 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-05-17 2018-06-14 update BMRB 'update entry citation' 30480 1 . . 2018-09-12 2018-06-14 original author 'original release' 30480 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6DSL . 30480 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30480 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30156841 _Citation.Full_citation . _Citation.Title ; An Atypical Mechanism of Split Intein Molecular Recognition and Folding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 140 _Citation.Journal_issue 37 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11791 _Citation.Page_last 11799 _Citation.Year 2018 _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 A. Stevens A. J. . . 30480 1 2 G. Sekar G. . . . 30480 1 3 J. Gramespacher J. A. . . 30480 1 4 D. Cowburn D. . . . 30480 1 5 T. Muir T. W. . . 30480 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30480 _Assembly.ID 1 _Assembly.Name 'CatN, CatC' _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 . . . . . . 30480 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30480 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30480 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Consensus engineered intein CatN' _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 ; EFEALSGDTMIEILDDDGII QKISMEDLYQRLA ; _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3775.219 _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 -2 GLU . 30480 1 2 -1 PHE . 30480 1 3 0 GLU . 30480 1 4 1 ALA . 30480 1 5 2 LEU . 30480 1 6 3 SER . 30480 1 7 4 GLY . 30480 1 8 5 ASP . 30480 1 9 6 THR . 30480 1 10 7 MET . 30480 1 11 8 ILE . 30480 1 12 9 GLU . 30480 1 13 10 ILE . 30480 1 14 11 LEU . 30480 1 15 12 ASP . 30480 1 16 13 ASP . 30480 1 17 14 ASP . 30480 1 18 15 GLY . 30480 1 19 16 ILE . 30480 1 20 17 ILE . 30480 1 21 18 GLN . 30480 1 22 19 LYS . 30480 1 23 20 ILE . 30480 1 24 21 SER . 30480 1 25 22 MET . 30480 1 26 23 GLU . 30480 1 27 24 ASP . 30480 1 28 25 LEU . 30480 1 29 26 TYR . 30480 1 30 27 GLN . 30480 1 31 28 ARG . 30480 1 32 29 LEU . 30480 1 33 30 ALA . 30480 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 . GLU 1 1 30480 1 . PHE 2 2 30480 1 . GLU 3 3 30480 1 . ALA 4 4 30480 1 . LEU 5 5 30480 1 . SER 6 6 30480 1 . GLY 7 7 30480 1 . ASP 8 8 30480 1 . THR 9 9 30480 1 . MET 10 10 30480 1 . ILE 11 11 30480 1 . GLU 12 12 30480 1 . ILE 13 13 30480 1 . LEU 14 14 30480 1 . ASP 15 15 30480 1 . ASP 16 16 30480 1 . ASP 17 17 30480 1 . GLY 18 18 30480 1 . ILE 19 19 30480 1 . ILE 20 20 30480 1 . GLN 21 21 30480 1 . LYS 22 22 30480 1 . ILE 23 23 30480 1 . SER 24 24 30480 1 . MET 25 25 30480 1 . GLU 26 26 30480 1 . ASP 27 27 30480 1 . LEU 28 28 30480 1 . TYR 29 29 30480 1 . GLN 30 30 30480 1 . ARG 31 31 30480 1 . LEU 32 32 30480 1 . ALA 33 33 30480 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30480 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Consensus engineered intein CatC' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DYKDDDDKMFKLNTKNIKVL TPSGFKSFSGIQKVYKPFYH HIIFDDGSEIKCSDNHSFGK DKIKASTIKVGDYLQGKKVL YNEIVEEGIYLYDLLNVGED NLYYTNGIVSHACESRGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13520.253 _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 23 ASP . 30480 2 2 24 TYR . 30480 2 3 25 LYS . 30480 2 4 26 ASP . 30480 2 5 27 ASP . 30480 2 6 28 ASP . 30480 2 7 29 ASP . 30480 2 8 30 LYS . 30480 2 9 31 MET . 30480 2 10 32 PHE . 30480 2 11 33 LYS . 30480 2 12 34 LEU . 30480 2 13 35 ASN . 30480 2 14 36 THR . 30480 2 15 37 LYS . 30480 2 16 38 ASN . 30480 2 17 39 ILE . 30480 2 18 40 LYS . 30480 2 19 41 VAL . 30480 2 20 42 LEU . 30480 2 21 43 THR . 30480 2 22 44 PRO . 30480 2 23 45 SER . 30480 2 24 46 GLY . 30480 2 25 47 PHE . 30480 2 26 48 LYS . 30480 2 27 49 SER . 30480 2 28 50 PHE . 30480 2 29 51 SER . 30480 2 30 52 GLY . 30480 2 31 53 ILE . 30480 2 32 54 GLN . 30480 2 33 55 LYS . 30480 2 34 56 VAL . 30480 2 35 57 TYR . 30480 2 36 58 LYS . 30480 2 37 59 PRO . 30480 2 38 60 PHE . 30480 2 39 61 TYR . 30480 2 40 62 HIS . 30480 2 41 63 HIS . 30480 2 42 64 ILE . 30480 2 43 65 ILE . 30480 2 44 66 PHE . 30480 2 45 67 ASP . 30480 2 46 68 ASP . 30480 2 47 69 GLY . 30480 2 48 70 SER . 30480 2 49 71 GLU . 30480 2 50 72 ILE . 30480 2 51 73 LYS . 30480 2 52 74 CYS . 30480 2 53 75 SER . 30480 2 54 76 ASP . 30480 2 55 77 ASN . 30480 2 56 78 HIS . 30480 2 57 79 SER . 30480 2 58 80 PHE . 30480 2 59 81 GLY . 30480 2 60 82 LYS . 30480 2 61 83 ASP . 30480 2 62 84 LYS . 30480 2 63 85 ILE . 30480 2 64 86 LYS . 30480 2 65 87 ALA . 30480 2 66 88 SER . 30480 2 67 89 THR . 30480 2 68 90 ILE . 30480 2 69 91 LYS . 30480 2 70 92 VAL . 30480 2 71 93 GLY . 30480 2 72 94 ASP . 30480 2 73 95 TYR . 30480 2 74 96 LEU . 30480 2 75 97 GLN . 30480 2 76 98 GLY . 30480 2 77 99 LYS . 30480 2 78 100 LYS . 30480 2 79 101 VAL . 30480 2 80 102 LEU . 30480 2 81 103 TYR . 30480 2 82 104 ASN . 30480 2 83 105 GLU . 30480 2 84 106 ILE . 30480 2 85 107 VAL . 30480 2 86 108 GLU . 30480 2 87 109 GLU . 30480 2 88 110 GLY . 30480 2 89 111 ILE . 30480 2 90 112 TYR . 30480 2 91 113 LEU . 30480 2 92 114 TYR . 30480 2 93 115 ASP . 30480 2 94 116 LEU . 30480 2 95 117 LEU . 30480 2 96 118 ASN . 30480 2 97 119 VAL . 30480 2 98 120 GLY . 30480 2 99 121 GLU . 30480 2 100 122 ASP . 30480 2 101 123 ASN . 30480 2 102 124 LEU . 30480 2 103 125 TYR . 30480 2 104 126 TYR . 30480 2 105 127 THR . 30480 2 106 128 ASN . 30480 2 107 129 GLY . 30480 2 108 130 ILE . 30480 2 109 131 VAL . 30480 2 110 132 SER . 30480 2 111 133 HIS . 30480 2 112 134 ALA . 30480 2 113 135 CYS . 30480 2 114 136 GLU . 30480 2 115 137 SER . 30480 2 116 138 ARG . 30480 2 117 139 GLY . 30480 2 118 140 LYS . 30480 2 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 . ASP 1 1 30480 2 . TYR 2 2 30480 2 . LYS 3 3 30480 2 . ASP 4 4 30480 2 . ASP 5 5 30480 2 . ASP 6 6 30480 2 . ASP 7 7 30480 2 . LYS 8 8 30480 2 . MET 9 9 30480 2 . PHE 10 10 30480 2 . LYS 11 11 30480 2 . LEU 12 12 30480 2 . ASN 13 13 30480 2 . THR 14 14 30480 2 . LYS 15 15 30480 2 . ASN 16 16 30480 2 . ILE 17 17 30480 2 . LYS 18 18 30480 2 . VAL 19 19 30480 2 . LEU 20 20 30480 2 . THR 21 21 30480 2 . PRO 22 22 30480 2 . SER 23 23 30480 2 . GLY 24 24 30480 2 . PHE 25 25 30480 2 . LYS 26 26 30480 2 . SER 27 27 30480 2 . PHE 28 28 30480 2 . SER 29 29 30480 2 . GLY 30 30 30480 2 . ILE 31 31 30480 2 . GLN 32 32 30480 2 . LYS 33 33 30480 2 . VAL 34 34 30480 2 . TYR 35 35 30480 2 . LYS 36 36 30480 2 . PRO 37 37 30480 2 . PHE 38 38 30480 2 . TYR 39 39 30480 2 . HIS 40 40 30480 2 . HIS 41 41 30480 2 . ILE 42 42 30480 2 . ILE 43 43 30480 2 . PHE 44 44 30480 2 . ASP 45 45 30480 2 . ASP 46 46 30480 2 . GLY 47 47 30480 2 . SER 48 48 30480 2 . GLU 49 49 30480 2 . ILE 50 50 30480 2 . LYS 51 51 30480 2 . CYS 52 52 30480 2 . SER 53 53 30480 2 . ASP 54 54 30480 2 . ASN 55 55 30480 2 . HIS 56 56 30480 2 . SER 57 57 30480 2 . PHE 58 58 30480 2 . GLY 59 59 30480 2 . LYS 60 60 30480 2 . ASP 61 61 30480 2 . LYS 62 62 30480 2 . ILE 63 63 30480 2 . LYS 64 64 30480 2 . ALA 65 65 30480 2 . SER 66 66 30480 2 . THR 67 67 30480 2 . ILE 68 68 30480 2 . LYS 69 69 30480 2 . VAL 70 70 30480 2 . GLY 71 71 30480 2 . ASP 72 72 30480 2 . TYR 73 73 30480 2 . LEU 74 74 30480 2 . GLN 75 75 30480 2 . GLY 76 76 30480 2 . LYS 77 77 30480 2 . LYS 78 78 30480 2 . VAL 79 79 30480 2 . LEU 80 80 30480 2 . TYR 81 81 30480 2 . ASN 82 82 30480 2 . GLU 83 83 30480 2 . ILE 84 84 30480 2 . VAL 85 85 30480 2 . GLU 86 86 30480 2 . GLU 87 87 30480 2 . GLY 88 88 30480 2 . ILE 89 89 30480 2 . TYR 90 90 30480 2 . LEU 91 91 30480 2 . TYR 92 92 30480 2 . ASP 93 93 30480 2 . LEU 94 94 30480 2 . LEU 95 95 30480 2 . ASN 96 96 30480 2 . VAL 97 97 30480 2 . GLY 98 98 30480 2 . GLU 99 99 30480 2 . ASP 100 100 30480 2 . ASN 101 101 30480 2 . LEU 102 102 30480 2 . TYR 103 103 30480 2 . TYR 104 104 30480 2 . THR 105 105 30480 2 . ASN 106 106 30480 2 . GLY 107 107 30480 2 . ILE 108 108 30480 2 . VAL 109 109 30480 2 . SER 110 110 30480 2 . HIS 111 111 30480 2 . ALA 112 112 30480 2 . CYS 113 113 30480 2 . GLU 114 114 30480 2 . SER 115 115 30480 2 . ARG 116 116 30480 2 . GLY 117 117 30480 2 . LYS 118 118 30480 2 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 30480 _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 . 10760 Viruses . 'Enterobacteria phage T7' 'Enterobacteria phage T7' . . . . T7virus 'Escherichia virus T7' . . . . . . . . . . . . . 30480 1 2 2 $entity_2 . 10760 Viruses . 'Enterobacteria phage T7' 'Enterobacteria phage T7' . . . . T7virus 'Escherichia virus T7' . . . . . . . . . . . . . 30480 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 30480 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30480 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30480 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30480 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 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 CatN '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30480 1 2 CatC '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 300 . . uM . . . . 30480 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30480 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30480 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 30480 1 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 30480 _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' 150 . mM 30480 1 pH 6.8 . pH 30480 1 pressure 1 . atm 30480 1 temperature 310 . K 30480 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30480 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30480 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30480 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30480 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30480 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30480 2 'structure calculation' 30480 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30480 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30480 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30480 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30480 _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_1 Bruker DRX . 600 . . . 30480 1 2 NMR_spectrometer_2 Bruker AvanceIII . 900 . . . 30480 1 3 NMR_spectrometer_3 Bruker AvanceIII . 800 . . . 30480 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 30480 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30480 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30480 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30480 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30480 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30480 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30480 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30480 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30480 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30480 1 10 '3D HCCCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30480 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 30480 _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 . . . . . 30480 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30480 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30480 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 30480 _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 '3D 1H-13C NOESY aliphatic' . . . 30480 1 2 '3D 1H-13C NOESY aromatic' . . . 30480 1 3 '3D 1H-15N NOESY' . . . 30480 1 4 '3D HN(CA)CO' . . . 30480 1 5 '3D HNCO' . . . 30480 1 6 '3D CBCA(CO)NH' . . . 30480 1 7 '3D HNCACB' . . . 30480 1 8 '3D HNCA' . . . 30480 1 9 '3D HCCH-TOCSY' . . . 30480 1 10 '3D HCCCONH' . . . 30480 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU C C 13 173.219 0.000 . . . . . . A 0 GLU C . 30480 1 2 . 1 1 4 4 ALA H H 1 8.159 0.007 . . . . . . A 1 ALA H . 30480 1 3 . 1 1 4 4 ALA HA H 1 4.586 0.013 . . . . . . A 1 ALA HA . 30480 1 4 . 1 1 4 4 ALA HB1 H 1 1.241 0.007 . . . . . . A 1 ALA HB1 . 30480 1 5 . 1 1 4 4 ALA HB2 H 1 1.241 0.007 . . . . . . A 1 ALA HB2 . 30480 1 6 . 1 1 4 4 ALA HB3 H 1 1.241 0.007 . . . . . . A 1 ALA HB3 . 30480 1 7 . 1 1 4 4 ALA C C 13 172.213 0.000 . . . . . . A 1 ALA C . 30480 1 8 . 1 1 4 4 ALA CA C 13 53.514 0.000 . . . . . . A 1 ALA CA . 30480 1 9 . 1 1 4 4 ALA CB C 13 24.019 0.036 . . . . . . A 1 ALA CB . 30480 1 10 . 1 1 4 4 ALA N N 15 121.317 0.000 . . . . . . A 1 ALA N . 30480 1 11 . 1 1 5 5 LEU H H 1 9.048 0.006 . . . . . . A 2 LEU H . 30480 1 12 . 1 1 5 5 LEU HA H 1 4.962 0.008 . . . . . . A 2 LEU HA . 30480 1 13 . 1 1 5 5 LEU HB2 H 1 2.067 0.006 . . . . . . A 2 LEU HB2 . 30480 1 14 . 1 1 5 5 LEU HB3 H 1 1.922 0.014 . . . . . . A 2 LEU HB3 . 30480 1 15 . 1 1 5 5 LEU HD11 H 1 0.812 0.008 . . . . . . A 2 LEU HD11 . 30480 1 16 . 1 1 5 5 LEU HD12 H 1 0.812 0.008 . . . . . . A 2 LEU HD12 . 30480 1 17 . 1 1 5 5 LEU HD13 H 1 0.812 0.008 . . . . . . A 2 LEU HD13 . 30480 1 18 . 1 1 5 5 LEU HD21 H 1 1.048 0.019 . . . . . . A 2 LEU HD21 . 30480 1 19 . 1 1 5 5 LEU HD22 H 1 1.048 0.019 . . . . . . A 2 LEU HD22 . 30480 1 20 . 1 1 5 5 LEU HD23 H 1 1.048 0.019 . . . . . . A 2 LEU HD23 . 30480 1 21 . 1 1 5 5 LEU C C 13 174.515 0.000 . . . . . . A 2 LEU C . 30480 1 22 . 1 1 5 5 LEU CA C 13 54.859 0.085 . . . . . . A 2 LEU CA . 30480 1 23 . 1 1 5 5 LEU CB C 13 46.458 0.060 . . . . . . A 2 LEU CB . 30480 1 24 . 1 1 5 5 LEU CD1 C 13 25.840 0.011 . . . . . . A 2 LEU CD1 . 30480 1 25 . 1 1 5 5 LEU CD2 C 13 27.389 0.000 . . . . . . A 2 LEU CD2 . 30480 1 26 . 1 1 5 5 LEU N N 15 118.939 0.062 . . . . . . A 2 LEU N . 30480 1 27 . 1 1 6 6 SER H H 1 8.258 0.010 . . . . . . A 3 SER H . 30480 1 28 . 1 1 6 6 SER HA H 1 4.259 0.008 . . . . . . A 3 SER HA . 30480 1 29 . 1 1 6 6 SER HB2 H 1 4.053 0.008 . . . . . . A 3 SER HB2 . 30480 1 30 . 1 1 6 6 SER HB3 H 1 3.561 0.009 . . . . . . A 3 SER HB3 . 30480 1 31 . 1 1 6 6 SER C C 13 174.710 0.000 . . . . . . A 3 SER C . 30480 1 32 . 1 1 6 6 SER CA C 13 59.890 0.027 . . . . . . A 3 SER CA . 30480 1 33 . 1 1 6 6 SER CB C 13 63.025 0.089 . . . . . . A 3 SER CB . 30480 1 34 . 1 1 6 6 SER N N 15 113.421 0.057 . . . . . . A 3 SER N . 30480 1 35 . 1 1 7 7 GLY H H 1 9.851 0.007 . . . . . . A 4 GLY H . 30480 1 36 . 1 1 7 7 GLY HA2 H 1 4.029 0.012 . . . . . . A 4 GLY HA2 . 30480 1 37 . 1 1 7 7 GLY HA3 H 1 3.667 0.010 . . . . . . A 4 GLY HA3 . 30480 1 38 . 1 1 7 7 GLY C C 13 170.483 0.000 . . . . . . A 4 GLY C . 30480 1 39 . 1 1 7 7 GLY CA C 13 48.503 0.025 . . . . . . A 4 GLY CA . 30480 1 40 . 1 1 7 7 GLY N N 15 110.534 0.024 . . . . . . A 4 GLY N . 30480 1 41 . 1 1 8 8 ASP H H 1 8.246 0.012 . . . . . . A 5 ASP H . 30480 1 42 . 1 1 8 8 ASP HA H 1 4.510 0.009 . . . . . . A 5 ASP HA . 30480 1 43 . 1 1 8 8 ASP HB2 H 1 2.663 0.007 . . . . . . A 5 ASP HB2 . 30480 1 44 . 1 1 8 8 ASP HB3 H 1 2.996 0.009 . . . . . . A 5 ASP HB3 . 30480 1 45 . 1 1 8 8 ASP C C 13 173.553 0.000 . . . . . . A 5 ASP C . 30480 1 46 . 1 1 8 8 ASP CA C 13 53.490 0.021 . . . . . . A 5 ASP CA . 30480 1 47 . 1 1 8 8 ASP CB C 13 39.258 0.030 . . . . . . A 5 ASP CB . 30480 1 48 . 1 1 8 8 ASP N N 15 114.070 0.074 . . . . . . A 5 ASP N . 30480 1 49 . 1 1 9 9 THR H H 1 7.729 0.006 . . . . . . A 6 THR H . 30480 1 50 . 1 1 9 9 THR HA H 1 3.866 0.010 . . . . . . A 6 THR HA . 30480 1 51 . 1 1 9 9 THR HB H 1 4.132 0.007 . . . . . . A 6 THR HB . 30480 1 52 . 1 1 9 9 THR HG21 H 1 1.221 0.009 . . . . . . A 6 THR HG21 . 30480 1 53 . 1 1 9 9 THR HG22 H 1 1.221 0.009 . . . . . . A 6 THR HG22 . 30480 1 54 . 1 1 9 9 THR HG23 H 1 1.221 0.009 . . . . . . A 6 THR HG23 . 30480 1 55 . 1 1 9 9 THR C C 13 170.708 0.000 . . . . . . A 6 THR C . 30480 1 56 . 1 1 9 9 THR CA C 13 65.365 0.017 . . . . . . A 6 THR CA . 30480 1 57 . 1 1 9 9 THR CB C 13 68.926 0.016 . . . . . . A 6 THR CB . 30480 1 58 . 1 1 9 9 THR CG2 C 13 22.609 0.040 . . . . . . A 6 THR CG2 . 30480 1 59 . 1 1 9 9 THR N N 15 119.459 0.033 . . . . . . A 6 THR N . 30480 1 60 . 1 1 10 10 MET H H 1 9.024 0.007 . . . . . . A 7 MET H . 30480 1 61 . 1 1 10 10 MET HA H 1 5.215 0.008 . . . . . . A 7 MET HA . 30480 1 62 . 1 1 10 10 MET HB2 H 1 2.333 0.007 . . . . . . A 7 MET HB2 . 30480 1 63 . 1 1 10 10 MET HB3 H 1 1.843 0.010 . . . . . . A 7 MET HB3 . 30480 1 64 . 1 1 10 10 MET HG2 H 1 2.738 0.006 . . . . . . A 7 MET HG2 . 30480 1 65 . 1 1 10 10 MET HG3 H 1 2.738 0.006 . . . . . . A 7 MET HG3 . 30480 1 66 . 1 1 10 10 MET HE1 H 1 1.928 0.003 . . . . . . A 7 MET HE1 . 30480 1 67 . 1 1 10 10 MET HE2 H 1 1.928 0.003 . . . . . . A 7 MET HE2 . 30480 1 68 . 1 1 10 10 MET HE3 H 1 1.928 0.003 . . . . . . A 7 MET HE3 . 30480 1 69 . 1 1 10 10 MET C C 13 174.268 0.000 . . . . . . A 7 MET C . 30480 1 70 . 1 1 10 10 MET CA C 13 53.975 0.052 . . . . . . A 7 MET CA . 30480 1 71 . 1 1 10 10 MET CB C 13 31.732 0.056 . . . . . . A 7 MET CB . 30480 1 72 . 1 1 10 10 MET CG C 13 32.047 0.048 . . . . . . A 7 MET CG . 30480 1 73 . 1 1 10 10 MET CE C 13 16.038 0.019 . . . . . . A 7 MET CE . 30480 1 74 . 1 1 10 10 MET N N 15 124.903 0.032 . . . . . . A 7 MET N . 30480 1 75 . 1 1 11 11 ILE H H 1 9.251 0.010 . . . . . . A 8 ILE H . 30480 1 76 . 1 1 11 11 ILE HA H 1 4.803 0.009 . . . . . . A 8 ILE HA . 30480 1 77 . 1 1 11 11 ILE HB H 1 2.271 0.006 . . . . . . A 8 ILE HB . 30480 1 78 . 1 1 11 11 ILE HG12 H 1 1.273 0.008 . . . . . . A 8 ILE HG12 . 30480 1 79 . 1 1 11 11 ILE HG13 H 1 1.169 0.010 . . . . . . A 8 ILE HG13 . 30480 1 80 . 1 1 11 11 ILE HG21 H 1 1.266 0.008 . . . . . . A 8 ILE HG21 . 30480 1 81 . 1 1 11 11 ILE HG22 H 1 1.266 0.008 . . . . . . A 8 ILE HG22 . 30480 1 82 . 1 1 11 11 ILE HG23 H 1 1.266 0.008 . . . . . . A 8 ILE HG23 . 30480 1 83 . 1 1 11 11 ILE HD11 H 1 0.725 0.011 . . . . . . A 8 ILE HD11 . 30480 1 84 . 1 1 11 11 ILE HD12 H 1 0.725 0.011 . . . . . . A 8 ILE HD12 . 30480 1 85 . 1 1 11 11 ILE HD13 H 1 0.725 0.011 . . . . . . A 8 ILE HD13 . 30480 1 86 . 1 1 11 11 ILE C C 13 171.478 0.000 . . . . . . A 8 ILE C . 30480 1 87 . 1 1 11 11 ILE CA C 13 59.637 0.087 . . . . . . A 8 ILE CA . 30480 1 88 . 1 1 11 11 ILE CB C 13 41.692 0.026 . . . . . . A 8 ILE CB . 30480 1 89 . 1 1 11 11 ILE CG1 C 13 25.718 0.024 . . . . . . A 8 ILE CG1 . 30480 1 90 . 1 1 11 11 ILE CG2 C 13 17.724 0.049 . . . . . . A 8 ILE CG2 . 30480 1 91 . 1 1 11 11 ILE CD1 C 13 14.888 0.090 . . . . . . A 8 ILE CD1 . 30480 1 92 . 1 1 11 11 ILE N N 15 119.868 0.030 . . . . . . A 8 ILE N . 30480 1 93 . 1 1 12 12 GLU H H 1 8.751 0.010 . . . . . . A 9 GLU H . 30480 1 94 . 1 1 12 12 GLU HA H 1 5.449 0.009 . . . . . . A 9 GLU HA . 30480 1 95 . 1 1 12 12 GLU HB2 H 1 1.945 0.007 . . . . . . A 9 GLU HB2 . 30480 1 96 . 1 1 12 12 GLU HB3 H 1 2.067 0.004 . . . . . . A 9 GLU HB3 . 30480 1 97 . 1 1 12 12 GLU HG2 H 1 2.166 0.004 . . . . . . A 9 GLU HG2 . 30480 1 98 . 1 1 12 12 GLU HG3 H 1 2.166 0.004 . . . . . . A 9 GLU HG3 . 30480 1 99 . 1 1 12 12 GLU C C 13 173.177 0.000 . . . . . . A 9 GLU C . 30480 1 100 . 1 1 12 12 GLU CA C 13 55.781 0.022 . . . . . . A 9 GLU CA . 30480 1 101 . 1 1 12 12 GLU CB C 13 32.986 0.032 . . . . . . A 9 GLU CB . 30480 1 102 . 1 1 12 12 GLU CG C 13 37.877 0.039 . . . . . . A 9 GLU CG . 30480 1 103 . 1 1 12 12 GLU N N 15 121.148 0.045 . . . . . . A 9 GLU N . 30480 1 104 . 1 1 13 13 ILE H H 1 9.160 0.011 . . . . . . A 10 ILE H . 30480 1 105 . 1 1 13 13 ILE HA H 1 5.880 0.009 . . . . . . A 10 ILE HA . 30480 1 106 . 1 1 13 13 ILE HB H 1 2.028 0.008 . . . . . . A 10 ILE HB . 30480 1 107 . 1 1 13 13 ILE HG12 H 1 1.063 0.007 . . . . . . A 10 ILE HG12 . 30480 1 108 . 1 1 13 13 ILE HG13 H 1 1.612 0.009 . . . . . . A 10 ILE HG13 . 30480 1 109 . 1 1 13 13 ILE HG21 H 1 0.901 0.009 . . . . . . A 10 ILE HG21 . 30480 1 110 . 1 1 13 13 ILE HG22 H 1 0.901 0.009 . . . . . . A 10 ILE HG22 . 30480 1 111 . 1 1 13 13 ILE HG23 H 1 0.901 0.009 . . . . . . A 10 ILE HG23 . 30480 1 112 . 1 1 13 13 ILE HD11 H 1 0.810 0.009 . . . . . . A 10 ILE HD11 . 30480 1 113 . 1 1 13 13 ILE HD12 H 1 0.810 0.009 . . . . . . A 10 ILE HD12 . 30480 1 114 . 1 1 13 13 ILE HD13 H 1 0.810 0.009 . . . . . . A 10 ILE HD13 . 30480 1 115 . 1 1 13 13 ILE C C 13 170.938 0.000 . . . . . . A 10 ILE C . 30480 1 116 . 1 1 13 13 ILE CA C 13 58.405 0.023 . . . . . . A 10 ILE CA . 30480 1 117 . 1 1 13 13 ILE CB C 13 42.820 0.022 . . . . . . A 10 ILE CB . 30480 1 118 . 1 1 13 13 ILE CG1 C 13 25.958 0.035 . . . . . . A 10 ILE CG1 . 30480 1 119 . 1 1 13 13 ILE CG2 C 13 18.295 0.028 . . . . . . A 10 ILE CG2 . 30480 1 120 . 1 1 13 13 ILE CD1 C 13 14.834 0.028 . . . . . . A 10 ILE CD1 . 30480 1 121 . 1 1 13 13 ILE N N 15 116.024 0.037 . . . . . . A 10 ILE N . 30480 1 122 . 1 1 14 14 LEU H H 1 8.244 0.008 . . . . . . A 11 LEU H . 30480 1 123 . 1 1 14 14 LEU HA H 1 4.651 0.012 . . . . . . A 11 LEU HA . 30480 1 124 . 1 1 14 14 LEU HB2 H 1 0.902 0.008 . . . . . . A 11 LEU HB2 . 30480 1 125 . 1 1 14 14 LEU HB3 H 1 -0.154 0.014 . . . . . . A 11 LEU HB3 . 30480 1 126 . 1 1 14 14 LEU HG H 1 1.161 0.007 . . . . . . A 11 LEU HG . 30480 1 127 . 1 1 14 14 LEU HD11 H 1 0.404 0.009 . . . . . . A 11 LEU HD11 . 30480 1 128 . 1 1 14 14 LEU HD12 H 1 0.404 0.009 . . . . . . A 11 LEU HD12 . 30480 1 129 . 1 1 14 14 LEU HD13 H 1 0.404 0.009 . . . . . . A 11 LEU HD13 . 30480 1 130 . 1 1 14 14 LEU HD21 H 1 0.436 0.009 . . . . . . A 11 LEU HD21 . 30480 1 131 . 1 1 14 14 LEU HD22 H 1 0.436 0.009 . . . . . . A 11 LEU HD22 . 30480 1 132 . 1 1 14 14 LEU HD23 H 1 0.436 0.009 . . . . . . A 11 LEU HD23 . 30480 1 133 . 1 1 14 14 LEU C C 13 174.008 0.000 . . . . . . A 11 LEU C . 30480 1 134 . 1 1 14 14 LEU CA C 13 53.495 0.000 . . . . . . A 11 LEU CA . 30480 1 135 . 1 1 14 14 LEU CB C 13 45.027 0.024 . . . . . . A 11 LEU CB . 30480 1 136 . 1 1 14 14 LEU CG C 13 26.498 0.108 . . . . . . A 11 LEU CG . 30480 1 137 . 1 1 14 14 LEU CD1 C 13 23.672 0.034 . . . . . . A 11 LEU CD1 . 30480 1 138 . 1 1 14 14 LEU CD2 C 13 26.059 0.038 . . . . . . A 11 LEU CD2 . 30480 1 139 . 1 1 14 14 LEU N N 15 122.045 0.029 . . . . . . A 11 LEU N . 30480 1 140 . 1 1 15 15 ASP H H 1 8.324 0.008 . . . . . . A 12 ASP H . 30480 1 141 . 1 1 15 15 ASP HA H 1 4.807 0.007 . . . . . . A 12 ASP HA . 30480 1 142 . 1 1 15 15 ASP HB2 H 1 3.202 0.010 . . . . . . A 12 ASP HB2 . 30480 1 143 . 1 1 15 15 ASP HB3 H 1 2.578 0.009 . . . . . . A 12 ASP HB3 . 30480 1 144 . 1 1 15 15 ASP C C 13 174.961 0.000 . . . . . . A 12 ASP C . 30480 1 145 . 1 1 15 15 ASP CA C 13 52.547 0.038 . . . . . . A 12 ASP CA . 30480 1 146 . 1 1 15 15 ASP CB C 13 42.128 0.040 . . . . . . A 12 ASP CB . 30480 1 147 . 1 1 15 15 ASP N N 15 126.378 0.037 . . . . . . A 12 ASP N . 30480 1 148 . 1 1 16 16 ASP H H 1 8.968 0.007 . . . . . . A 13 ASP H . 30480 1 149 . 1 1 16 16 ASP HA H 1 4.431 0.008 . . . . . . A 13 ASP HA . 30480 1 150 . 1 1 16 16 ASP HB2 H 1 2.668 0.010 . . . . . . A 13 ASP HB2 . 30480 1 151 . 1 1 16 16 ASP HB3 H 1 2.758 0.004 . . . . . . A 13 ASP HB3 . 30480 1 152 . 1 1 16 16 ASP C C 13 174.484 0.000 . . . . . . A 13 ASP C . 30480 1 153 . 1 1 16 16 ASP CA C 13 56.077 0.024 . . . . . . A 13 ASP CA . 30480 1 154 . 1 1 16 16 ASP CB C 13 40.971 0.021 . . . . . . A 13 ASP CB . 30480 1 155 . 1 1 16 16 ASP N N 15 117.457 0.019 . . . . . . A 13 ASP N . 30480 1 156 . 1 1 17 17 ASP H H 1 8.170 0.007 . . . . . . A 14 ASP H . 30480 1 157 . 1 1 17 17 ASP HA H 1 4.729 0.015 . . . . . . A 14 ASP HA . 30480 1 158 . 1 1 17 17 ASP HB2 H 1 2.760 0.007 . . . . . . A 14 ASP HB2 . 30480 1 159 . 1 1 17 17 ASP HB3 H 1 2.758 0.010 . . . . . . A 14 ASP HB3 . 30480 1 160 . 1 1 17 17 ASP C C 13 174.356 0.000 . . . . . . A 14 ASP C . 30480 1 161 . 1 1 17 17 ASP CA C 13 54.372 0.010 . . . . . . A 14 ASP CA . 30480 1 162 . 1 1 17 17 ASP CB C 13 41.450 0.040 . . . . . . A 14 ASP CB . 30480 1 163 . 1 1 17 17 ASP N N 15 117.905 0.039 . . . . . . A 14 ASP N . 30480 1 164 . 1 1 18 18 GLY H H 1 8.140 0.009 . . . . . . A 15 GLY H . 30480 1 165 . 1 1 18 18 GLY HA2 H 1 4.082 0.011 . . . . . . A 15 GLY HA2 . 30480 1 166 . 1 1 18 18 GLY HA3 H 1 3.537 0.011 . . . . . . A 15 GLY HA3 . 30480 1 167 . 1 1 18 18 GLY C C 13 171.292 0.000 . . . . . . A 15 GLY C . 30480 1 168 . 1 1 18 18 GLY CA C 13 45.784 0.067 . . . . . . A 15 GLY CA . 30480 1 169 . 1 1 18 18 GLY N N 15 108.312 0.035 . . . . . . A 15 GLY N . 30480 1 170 . 1 1 19 19 ILE H H 1 8.067 0.007 . . . . . . A 16 ILE H . 30480 1 171 . 1 1 19 19 ILE HA H 1 4.030 0.007 . . . . . . A 16 ILE HA . 30480 1 172 . 1 1 19 19 ILE HB H 1 2.162 0.010 . . . . . . A 16 ILE HB . 30480 1 173 . 1 1 19 19 ILE HG12 H 1 1.376 0.008 . . . . . . A 16 ILE HG12 . 30480 1 174 . 1 1 19 19 ILE HG13 H 1 1.144 0.006 . . . . . . A 16 ILE HG13 . 30480 1 175 . 1 1 19 19 ILE HG21 H 1 0.812 0.007 . . . . . . A 16 ILE HG21 . 30480 1 176 . 1 1 19 19 ILE HG22 H 1 0.812 0.007 . . . . . . A 16 ILE HG22 . 30480 1 177 . 1 1 19 19 ILE HG23 H 1 0.812 0.007 . . . . . . A 16 ILE HG23 . 30480 1 178 . 1 1 19 19 ILE HD11 H 1 0.780 0.005 . . . . . . A 16 ILE HD11 . 30480 1 179 . 1 1 19 19 ILE HD12 H 1 0.780 0.005 . . . . . . A 16 ILE HD12 . 30480 1 180 . 1 1 19 19 ILE HD13 H 1 0.780 0.005 . . . . . . A 16 ILE HD13 . 30480 1 181 . 1 1 19 19 ILE C C 13 173.431 0.000 . . . . . . A 16 ILE C . 30480 1 182 . 1 1 19 19 ILE CA C 13 60.208 0.018 . . . . . . A 16 ILE CA . 30480 1 183 . 1 1 19 19 ILE CB C 13 37.195 0.041 . . . . . . A 16 ILE CB . 30480 1 184 . 1 1 19 19 ILE CG1 C 13 27.463 0.068 . . . . . . A 16 ILE CG1 . 30480 1 185 . 1 1 19 19 ILE CG2 C 13 17.412 0.044 . . . . . . A 16 ILE CG2 . 30480 1 186 . 1 1 19 19 ILE CD1 C 13 11.309 0.055 . . . . . . A 16 ILE CD1 . 30480 1 187 . 1 1 19 19 ILE N N 15 123.210 0.022 . . . . . . A 16 ILE N . 30480 1 188 . 1 1 20 20 ILE H H 1 8.152 0.009 . . . . . . A 17 ILE H . 30480 1 189 . 1 1 20 20 ILE HA H 1 5.112 0.009 . . . . . . A 17 ILE HA . 30480 1 190 . 1 1 20 20 ILE HB H 1 1.629 0.008 . . . . . . A 17 ILE HB . 30480 1 191 . 1 1 20 20 ILE HG12 H 1 0.788 0.009 . . . . . . A 17 ILE HG12 . 30480 1 192 . 1 1 20 20 ILE HG13 H 1 1.611 0.009 . . . . . . A 17 ILE HG13 . 30480 1 193 . 1 1 20 20 ILE HG21 H 1 1.046 0.007 . . . . . . A 17 ILE HG21 . 30480 1 194 . 1 1 20 20 ILE HG22 H 1 1.046 0.007 . . . . . . A 17 ILE HG22 . 30480 1 195 . 1 1 20 20 ILE HG23 H 1 1.046 0.007 . . . . . . A 17 ILE HG23 . 30480 1 196 . 1 1 20 20 ILE HD11 H 1 1.009 0.007 . . . . . . A 17 ILE HD11 . 30480 1 197 . 1 1 20 20 ILE HD12 H 1 1.009 0.007 . . . . . . A 17 ILE HD12 . 30480 1 198 . 1 1 20 20 ILE HD13 H 1 1.009 0.007 . . . . . . A 17 ILE HD13 . 30480 1 199 . 1 1 20 20 ILE C C 13 174.515 0.000 . . . . . . A 17 ILE C . 30480 1 200 . 1 1 20 20 ILE CA C 13 60.809 0.024 . . . . . . A 17 ILE CA . 30480 1 201 . 1 1 20 20 ILE CB C 13 39.324 0.111 . . . . . . A 17 ILE CB . 30480 1 202 . 1 1 20 20 ILE CG1 C 13 29.180 0.016 . . . . . . A 17 ILE CG1 . 30480 1 203 . 1 1 20 20 ILE CG2 C 13 17.660 0.036 . . . . . . A 17 ILE CG2 . 30480 1 204 . 1 1 20 20 ILE CD1 C 13 14.136 0.026 . . . . . . A 17 ILE CD1 . 30480 1 205 . 1 1 20 20 ILE N N 15 129.113 0.030 . . . . . . A 17 ILE N . 30480 1 206 . 1 1 21 21 GLN H H 1 9.026 0.006 . . . . . . A 18 GLN H . 30480 1 207 . 1 1 21 21 GLN HA H 1 4.826 0.006 . . . . . . A 18 GLN HA . 30480 1 208 . 1 1 21 21 GLN HB2 H 1 2.269 0.003 . . . . . . A 18 GLN HB2 . 30480 1 209 . 1 1 21 21 GLN HB3 H 1 2.117 0.009 . . . . . . A 18 GLN HB3 . 30480 1 210 . 1 1 21 21 GLN HG2 H 1 2.008 0.008 . . . . . . A 18 GLN HG2 . 30480 1 211 . 1 1 21 21 GLN HG3 H 1 1.842 0.005 . . . . . . A 18 GLN HG3 . 30480 1 212 . 1 1 21 21 GLN C C 13 171.613 0.000 . . . . . . A 18 GLN C . 30480 1 213 . 1 1 21 21 GLN CA C 13 54.408 0.065 . . . . . . A 18 GLN CA . 30480 1 214 . 1 1 21 21 GLN CB C 13 33.479 0.012 . . . . . . A 18 GLN CB . 30480 1 215 . 1 1 21 21 GLN CG C 13 33.122 0.012 . . . . . . A 18 GLN CG . 30480 1 216 . 1 1 21 21 GLN N N 15 125.000 0.036 . . . . . . A 18 GLN N . 30480 1 217 . 1 1 22 22 LYS H H 1 8.561 0.009 . . . . . . A 19 LYS H . 30480 1 218 . 1 1 22 22 LYS HA H 1 5.242 0.008 . . . . . . A 19 LYS HA . 30480 1 219 . 1 1 22 22 LYS HB2 H 1 1.774 0.013 . . . . . . A 19 LYS HB2 . 30480 1 220 . 1 1 22 22 LYS HB3 H 1 1.774 0.013 . . . . . . A 19 LYS HB3 . 30480 1 221 . 1 1 22 22 LYS HG2 H 1 1.377 0.007 . . . . . . A 19 LYS HG2 . 30480 1 222 . 1 1 22 22 LYS HG3 H 1 1.487 0.008 . . . . . . A 19 LYS HG3 . 30480 1 223 . 1 1 22 22 LYS HD2 H 1 1.667 0.000 . . . . . . A 19 LYS HD2 . 30480 1 224 . 1 1 22 22 LYS HD3 H 1 1.667 0.000 . . . . . . A 19 LYS HD3 . 30480 1 225 . 1 1 22 22 LYS HE2 H 1 2.943 0.012 . . . . . . A 19 LYS HE2 . 30480 1 226 . 1 1 22 22 LYS HE3 H 1 2.943 0.012 . . . . . . A 19 LYS HE3 . 30480 1 227 . 1 1 22 22 LYS C C 13 173.551 0.000 . . . . . . A 19 LYS C . 30480 1 228 . 1 1 22 22 LYS CA C 13 55.831 0.044 . . . . . . A 19 LYS CA . 30480 1 229 . 1 1 22 22 LYS CB C 13 32.956 0.009 . . . . . . A 19 LYS CB . 30480 1 230 . 1 1 22 22 LYS CG C 13 25.371 0.055 . . . . . . A 19 LYS CG . 30480 1 231 . 1 1 22 22 LYS CD C 13 29.506 0.000 . . . . . . A 19 LYS CD . 30480 1 232 . 1 1 22 22 LYS CE C 13 42.230 0.035 . . . . . . A 19 LYS CE . 30480 1 233 . 1 1 22 22 LYS N N 15 124.285 0.023 . . . . . . A 19 LYS N . 30480 1 234 . 1 1 23 23 ILE H H 1 8.927 0.008 . . . . . . A 20 ILE H . 30480 1 235 . 1 1 23 23 ILE HA H 1 4.790 0.007 . . . . . . A 20 ILE HA . 30480 1 236 . 1 1 23 23 ILE HB H 1 1.805 0.008 . . . . . . A 20 ILE HB . 30480 1 237 . 1 1 23 23 ILE HG12 H 1 1.627 0.011 . . . . . . A 20 ILE HG12 . 30480 1 238 . 1 1 23 23 ILE HG13 H 1 1.378 0.010 . . . . . . A 20 ILE HG13 . 30480 1 239 . 1 1 23 23 ILE HG21 H 1 0.801 0.009 . . . . . . A 20 ILE HG21 . 30480 1 240 . 1 1 23 23 ILE HG22 H 1 0.801 0.009 . . . . . . A 20 ILE HG22 . 30480 1 241 . 1 1 23 23 ILE HG23 H 1 0.801 0.009 . . . . . . A 20 ILE HG23 . 30480 1 242 . 1 1 23 23 ILE HD11 H 1 0.710 0.005 . . . . . . A 20 ILE HD11 . 30480 1 243 . 1 1 23 23 ILE HD12 H 1 0.710 0.005 . . . . . . A 20 ILE HD12 . 30480 1 244 . 1 1 23 23 ILE HD13 H 1 0.710 0.005 . . . . . . A 20 ILE HD13 . 30480 1 245 . 1 1 23 23 ILE C C 13 169.570 0.000 . . . . . . A 20 ILE C . 30480 1 246 . 1 1 23 23 ILE CA C 13 59.492 0.042 . . . . . . A 20 ILE CA . 30480 1 247 . 1 1 23 23 ILE CB C 13 43.350 0.047 . . . . . . A 20 ILE CB . 30480 1 248 . 1 1 23 23 ILE CG1 C 13 27.118 0.030 . . . . . . A 20 ILE CG1 . 30480 1 249 . 1 1 23 23 ILE CG2 C 13 17.194 0.098 . . . . . . A 20 ILE CG2 . 30480 1 250 . 1 1 23 23 ILE CD1 C 13 14.624 0.052 . . . . . . A 20 ILE CD1 . 30480 1 251 . 1 1 23 23 ILE N N 15 123.612 0.071 . . . . . . A 20 ILE N . 30480 1 252 . 1 1 24 24 SER H H 1 8.776 0.010 . . . . . . A 21 SER H . 30480 1 253 . 1 1 24 24 SER HA H 1 5.457 0.009 . . . . . . A 21 SER HA . 30480 1 254 . 1 1 24 24 SER HB2 H 1 3.862 0.008 . . . . . . A 21 SER HB2 . 30480 1 255 . 1 1 24 24 SER HB3 H 1 4.782 0.012 . . . . . . A 21 SER HB3 . 30480 1 256 . 1 1 24 24 SER C C 13 174.022 0.000 . . . . . . A 21 SER C . 30480 1 257 . 1 1 24 24 SER CA C 13 56.740 0.030 . . . . . . A 21 SER CA . 30480 1 258 . 1 1 24 24 SER CB C 13 65.437 0.057 . . . . . . A 21 SER CB . 30480 1 259 . 1 1 24 24 SER N N 15 120.281 0.079 . . . . . . A 21 SER N . 30480 1 260 . 1 1 25 25 MET H H 1 8.428 0.010 . . . . . . A 22 MET H . 30480 1 261 . 1 1 25 25 MET HA H 1 3.902 0.007 . . . . . . A 22 MET HA . 30480 1 262 . 1 1 25 25 MET HB2 H 1 1.644 0.007 . . . . . . A 22 MET HB2 . 30480 1 263 . 1 1 25 25 MET HB3 H 1 1.957 0.012 . . . . . . A 22 MET HB3 . 30480 1 264 . 1 1 25 25 MET HG2 H 1 2.661 0.005 . . . . . . A 22 MET HG2 . 30480 1 265 . 1 1 25 25 MET HG3 H 1 2.401 0.006 . . . . . . A 22 MET HG3 . 30480 1 266 . 1 1 25 25 MET HE1 H 1 2.141 0.003 . . . . . . A 22 MET HE1 . 30480 1 267 . 1 1 25 25 MET HE2 H 1 2.141 0.003 . . . . . . A 22 MET HE2 . 30480 1 268 . 1 1 25 25 MET HE3 H 1 2.141 0.003 . . . . . . A 22 MET HE3 . 30480 1 269 . 1 1 25 25 MET C C 13 175.282 0.000 . . . . . . A 22 MET C . 30480 1 270 . 1 1 25 25 MET CA C 13 59.123 0.039 . . . . . . A 22 MET CA . 30480 1 271 . 1 1 25 25 MET CB C 13 33.287 0.006 . . . . . . A 22 MET CB . 30480 1 272 . 1 1 25 25 MET CG C 13 35.208 0.019 . . . . . . A 22 MET CG . 30480 1 273 . 1 1 25 25 MET CE C 13 18.328 0.013 . . . . . . A 22 MET CE . 30480 1 274 . 1 1 25 25 MET N N 15 120.616 0.055 . . . . . . A 22 MET N . 30480 1 275 . 1 1 26 26 GLU H H 1 9.030 0.007 . . . . . . A 23 GLU H . 30480 1 276 . 1 1 26 26 GLU HA H 1 3.303 0.013 . . . . . . A 23 GLU HA . 30480 1 277 . 1 1 26 26 GLU HB2 H 1 1.758 0.006 . . . . . . A 23 GLU HB2 . 30480 1 278 . 1 1 26 26 GLU HB3 H 1 1.642 0.011 . . . . . . A 23 GLU HB3 . 30480 1 279 . 1 1 26 26 GLU HG2 H 1 2.052 0.003 . . . . . . A 23 GLU HG2 . 30480 1 280 . 1 1 26 26 GLU HG3 H 1 2.158 0.008 . . . . . . A 23 GLU HG3 . 30480 1 281 . 1 1 26 26 GLU C C 13 175.710 0.000 . . . . . . A 23 GLU C . 30480 1 282 . 1 1 26 26 GLU CA C 13 58.962 0.028 . . . . . . A 23 GLU CA . 30480 1 283 . 1 1 26 26 GLU CB C 13 29.090 0.017 . . . . . . A 23 GLU CB . 30480 1 284 . 1 1 26 26 GLU CG C 13 35.578 0.037 . . . . . . A 23 GLU CG . 30480 1 285 . 1 1 26 26 GLU N N 15 118.279 0.107 . . . . . . A 23 GLU N . 30480 1 286 . 1 1 27 27 ASP H H 1 7.861 0.005 . . . . . . A 24 ASP H . 30480 1 287 . 1 1 27 27 ASP HA H 1 4.401 0.009 . . . . . . A 24 ASP HA . 30480 1 288 . 1 1 27 27 ASP HB2 H 1 2.987 0.009 . . . . . . A 24 ASP HB2 . 30480 1 289 . 1 1 27 27 ASP HB3 H 1 2.580 0.007 . . . . . . A 24 ASP HB3 . 30480 1 290 . 1 1 27 27 ASP C C 13 177.161 0.000 . . . . . . A 24 ASP C . 30480 1 291 . 1 1 27 27 ASP CA C 13 57.118 0.021 . . . . . . A 24 ASP CA . 30480 1 292 . 1 1 27 27 ASP CB C 13 39.796 0.060 . . . . . . A 24 ASP CB . 30480 1 293 . 1 1 27 27 ASP N N 15 121.831 0.020 . . . . . . A 24 ASP N . 30480 1 294 . 1 1 28 28 LEU H H 1 8.376 0.009 . . . . . . A 25 LEU H . 30480 1 295 . 1 1 28 28 LEU HA H 1 3.895 0.008 . . . . . . A 25 LEU HA . 30480 1 296 . 1 1 28 28 LEU HB2 H 1 2.085 0.010 . . . . . . A 25 LEU HB2 . 30480 1 297 . 1 1 28 28 LEU HB3 H 1 1.373 0.009 . . . . . . A 25 LEU HB3 . 30480 1 298 . 1 1 28 28 LEU HG H 1 1.532 0.010 . . . . . . A 25 LEU HG . 30480 1 299 . 1 1 28 28 LEU HD11 H 1 0.777 0.006 . . . . . . A 25 LEU HD11 . 30480 1 300 . 1 1 28 28 LEU HD12 H 1 0.777 0.006 . . . . . . A 25 LEU HD12 . 30480 1 301 . 1 1 28 28 LEU HD13 H 1 0.777 0.006 . . . . . . A 25 LEU HD13 . 30480 1 302 . 1 1 28 28 LEU HD21 H 1 0.992 0.005 . . . . . . A 25 LEU HD21 . 30480 1 303 . 1 1 28 28 LEU HD22 H 1 0.992 0.005 . . . . . . A 25 LEU HD22 . 30480 1 304 . 1 1 28 28 LEU HD23 H 1 0.992 0.005 . . . . . . A 25 LEU HD23 . 30480 1 305 . 1 1 28 28 LEU C C 13 174.933 0.000 . . . . . . A 25 LEU C . 30480 1 306 . 1 1 28 28 LEU CA C 13 58.115 0.062 . . . . . . A 25 LEU CA . 30480 1 307 . 1 1 28 28 LEU CB C 13 40.438 0.025 . . . . . . A 25 LEU CB . 30480 1 308 . 1 1 28 28 LEU CG C 13 27.192 0.026 . . . . . . A 25 LEU CG . 30480 1 309 . 1 1 28 28 LEU CD1 C 13 27.284 0.046 . . . . . . A 25 LEU CD1 . 30480 1 310 . 1 1 28 28 LEU CD2 C 13 23.514 0.026 . . . . . . A 25 LEU CD2 . 30480 1 311 . 1 1 28 28 LEU N N 15 122.665 0.041 . . . . . . A 25 LEU N . 30480 1 312 . 1 1 29 29 TYR H H 1 8.206 0.011 . . . . . . A 26 TYR H . 30480 1 313 . 1 1 29 29 TYR HA H 1 3.740 0.010 . . . . . . A 26 TYR HA . 30480 1 314 . 1 1 29 29 TYR HB2 H 1 3.259 0.011 . . . . . . A 26 TYR HB2 . 30480 1 315 . 1 1 29 29 TYR HB3 H 1 2.868 0.008 . . . . . . A 26 TYR HB3 . 30480 1 316 . 1 1 29 29 TYR HD1 H 1 7.051 0.007 . . . . . . A 26 TYR HD1 . 30480 1 317 . 1 1 29 29 TYR HD2 H 1 7.051 0.007 . . . . . . A 26 TYR HD2 . 30480 1 318 . 1 1 29 29 TYR HE1 H 1 6.790 0.009 . . . . . . A 26 TYR HE1 . 30480 1 319 . 1 1 29 29 TYR HE2 H 1 6.790 0.009 . . . . . . A 26 TYR HE2 . 30480 1 320 . 1 1 29 29 TYR C C 13 174.791 0.000 . . . . . . A 26 TYR C . 30480 1 321 . 1 1 29 29 TYR CA C 13 62.971 0.062 . . . . . . A 26 TYR CA . 30480 1 322 . 1 1 29 29 TYR CB C 13 39.089 0.026 . . . . . . A 26 TYR CB . 30480 1 323 . 1 1 29 29 TYR CD1 C 13 133.353 0.045 . . . . . . A 26 TYR CD1 . 30480 1 324 . 1 1 29 29 TYR CE1 C 13 118.273 0.000 . . . . . . A 26 TYR CE1 . 30480 1 325 . 1 1 29 29 TYR N N 15 118.980 0.031 . . . . . . A 26 TYR N . 30480 1 326 . 1 1 30 30 GLN H H 1 7.825 0.010 . . . . . . A 27 GLN H . 30480 1 327 . 1 1 30 30 GLN HA H 1 4.026 0.011 . . . . . . A 27 GLN HA . 30480 1 328 . 1 1 30 30 GLN HB2 H 1 2.234 0.008 . . . . . . A 27 GLN HB2 . 30480 1 329 . 1 1 30 30 GLN HB3 H 1 2.232 0.006 . . . . . . A 27 GLN HB3 . 30480 1 330 . 1 1 30 30 GLN HG2 H 1 2.564 0.011 . . . . . . A 27 GLN HG2 . 30480 1 331 . 1 1 30 30 GLN HG3 H 1 2.650 0.004 . . . . . . A 27 GLN HG3 . 30480 1 332 . 1 1 30 30 GLN C C 13 176.060 0.000 . . . . . . A 27 GLN C . 30480 1 333 . 1 1 30 30 GLN CA C 13 58.185 0.018 . . . . . . A 27 GLN CA . 30480 1 334 . 1 1 30 30 GLN CB C 13 28.702 0.019 . . . . . . A 27 GLN CB . 30480 1 335 . 1 1 30 30 GLN CG C 13 34.129 0.042 . . . . . . A 27 GLN CG . 30480 1 336 . 1 1 30 30 GLN N N 15 114.278 0.025 . . . . . . A 27 GLN N . 30480 1 337 . 1 1 31 31 ARG H H 1 7.994 0.009 . . . . . . A 28 ARG H . 30480 1 338 . 1 1 31 31 ARG HA H 1 4.164 0.011 . . . . . . A 28 ARG HA . 30480 1 339 . 1 1 31 31 ARG HB2 H 1 1.896 0.014 . . . . . . A 28 ARG HB2 . 30480 1 340 . 1 1 31 31 ARG HB3 H 1 2.018 0.011 . . . . . . A 28 ARG HB3 . 30480 1 341 . 1 1 31 31 ARG HG2 H 1 1.811 0.008 . . . . . . A 28 ARG HG2 . 30480 1 342 . 1 1 31 31 ARG HG3 H 1 1.716 0.009 . . . . . . A 28 ARG HG3 . 30480 1 343 . 1 1 31 31 ARG HD2 H 1 2.970 0.004 . . . . . . A 28 ARG HD2 . 30480 1 344 . 1 1 31 31 ARG HD3 H 1 3.062 0.006 . . . . . . A 28 ARG HD3 . 30480 1 345 . 1 1 31 31 ARG C C 13 175.014 0.000 . . . . . . A 28 ARG C . 30480 1 346 . 1 1 31 31 ARG CA C 13 57.933 0.027 . . . . . . A 28 ARG CA . 30480 1 347 . 1 1 31 31 ARG CB C 13 30.524 0.062 . . . . . . A 28 ARG CB . 30480 1 348 . 1 1 31 31 ARG CG C 13 27.504 0.043 . . . . . . A 28 ARG CG . 30480 1 349 . 1 1 31 31 ARG CD C 13 43.479 0.045 . . . . . . A 28 ARG CD . 30480 1 350 . 1 1 31 31 ARG N N 15 118.940 0.048 . . . . . . A 28 ARG N . 30480 1 351 . 1 1 32 32 LEU H H 1 7.256 0.008 . . . . . . A 29 LEU H . 30480 1 352 . 1 1 32 32 LEU HA H 1 4.289 0.007 . . . . . . A 29 LEU HA . 30480 1 353 . 1 1 32 32 LEU HB2 H 1 1.525 0.010 . . . . . . A 29 LEU HB2 . 30480 1 354 . 1 1 32 32 LEU HB3 H 1 1.426 0.011 . . . . . . A 29 LEU HB3 . 30480 1 355 . 1 1 32 32 LEU HG H 1 1.801 0.003 . . . . . . A 29 LEU HG . 30480 1 356 . 1 1 32 32 LEU HD11 H 1 0.764 0.007 . . . . . . A 29 LEU HD11 . 30480 1 357 . 1 1 32 32 LEU HD12 H 1 0.764 0.007 . . . . . . A 29 LEU HD12 . 30480 1 358 . 1 1 32 32 LEU HD13 H 1 0.764 0.007 . . . . . . A 29 LEU HD13 . 30480 1 359 . 1 1 32 32 LEU HD21 H 1 0.921 0.012 . . . . . . A 29 LEU HD21 . 30480 1 360 . 1 1 32 32 LEU HD22 H 1 0.921 0.012 . . . . . . A 29 LEU HD22 . 30480 1 361 . 1 1 32 32 LEU HD23 H 1 0.921 0.012 . . . . . . A 29 LEU HD23 . 30480 1 362 . 1 1 32 32 LEU C C 13 172.633 0.000 . . . . . . A 29 LEU C . 30480 1 363 . 1 1 32 32 LEU CA C 13 54.581 0.029 . . . . . . A 29 LEU CA . 30480 1 364 . 1 1 32 32 LEU CB C 13 42.098 0.036 . . . . . . A 29 LEU CB . 30480 1 365 . 1 1 32 32 LEU CG C 13 27.072 0.036 . . . . . . A 29 LEU CG . 30480 1 366 . 1 1 32 32 LEU CD1 C 13 25.225 0.029 . . . . . . A 29 LEU CD1 . 30480 1 367 . 1 1 32 32 LEU CD2 C 13 23.464 0.045 . . . . . . A 29 LEU CD2 . 30480 1 368 . 1 1 32 32 LEU N N 15 118.673 0.031 . . . . . . A 29 LEU N . 30480 1 369 . 1 1 33 33 ALA H H 1 7.356 0.007 . . . . . . A 30 ALA H . 30480 1 370 . 1 1 33 33 ALA HA H 1 3.828 0.007 . . . . . . A 30 ALA HA . 30480 1 371 . 1 1 33 33 ALA HB1 H 1 1.308 0.006 . . . . . . A 30 ALA HB1 . 30480 1 372 . 1 1 33 33 ALA HB2 H 1 1.308 0.006 . . . . . . A 30 ALA HB2 . 30480 1 373 . 1 1 33 33 ALA HB3 H 1 1.308 0.006 . . . . . . A 30 ALA HB3 . 30480 1 374 . 1 1 33 33 ALA C C 13 180.081 0.000 . . . . . . A 30 ALA C . 30480 1 375 . 1 1 33 33 ALA CA C 13 54.463 0.013 . . . . . . A 30 ALA CA . 30480 1 376 . 1 1 33 33 ALA CB C 13 19.836 0.024 . . . . . . A 30 ALA CB . 30480 1 377 . 1 1 33 33 ALA N N 15 127.949 0.025 . . . . . . A 30 ALA N . 30480 1 378 . 2 2 2 2 TYR HA H 1 4.543 0.003 . . . . . . B 24 TYR HA . 30480 1 379 . 2 2 2 2 TYR HB2 H 1 3.001 0.008 . . . . . . B 24 TYR HB2 . 30480 1 380 . 2 2 2 2 TYR HB3 H 1 3.001 0.008 . . . . . . B 24 TYR HB3 . 30480 1 381 . 2 2 2 2 TYR HD1 H 1 7.116 0.005 . . . . . . B 24 TYR HD1 . 30480 1 382 . 2 2 2 2 TYR HD2 H 1 7.116 0.005 . . . . . . B 24 TYR HD2 . 30480 1 383 . 2 2 2 2 TYR HE1 H 1 6.837 0.002 . . . . . . B 24 TYR HE1 . 30480 1 384 . 2 2 2 2 TYR HE2 H 1 6.837 0.002 . . . . . . B 24 TYR HE2 . 30480 1 385 . 2 2 2 2 TYR C C 13 175.430 0.021 . . . . . . B 24 TYR C . 30480 1 386 . 2 2 2 2 TYR CA C 13 58.700 0.080 . . . . . . B 24 TYR CA . 30480 1 387 . 2 2 2 2 TYR CB C 13 38.731 0.057 . . . . . . B 24 TYR CB . 30480 1 388 . 2 2 2 2 TYR CD1 C 13 133.310 0.001 . . . . . . B 24 TYR CD1 . 30480 1 389 . 2 2 2 2 TYR CE1 C 13 118.390 0.002 . . . . . . B 24 TYR CE1 . 30480 1 390 . 2 2 3 3 LYS H H 1 8.075 0.003 . . . . . . B 25 LYS H . 30480 1 391 . 2 2 3 3 LYS HA H 1 4.259 0.009 . . . . . . B 25 LYS HA . 30480 1 392 . 2 2 3 3 LYS HB2 H 1 1.795 0.005 . . . . . . B 25 LYS HB2 . 30480 1 393 . 2 2 3 3 LYS HB3 H 1 1.679 0.013 . . . . . . B 25 LYS HB3 . 30480 1 394 . 2 2 3 3 LYS HG2 H 1 1.279 0.003 . . . . . . B 25 LYS HG2 . 30480 1 395 . 2 2 3 3 LYS HG3 H 1 1.279 0.003 . . . . . . B 25 LYS HG3 . 30480 1 396 . 2 2 3 3 LYS HD2 H 1 1.630 0.000 . . . . . . B 25 LYS HD2 . 30480 1 397 . 2 2 3 3 LYS HD3 H 1 1.630 0.000 . . . . . . B 25 LYS HD3 . 30480 1 398 . 2 2 3 3 LYS HE2 H 1 2.981 0.000 . . . . . . B 25 LYS HE2 . 30480 1 399 . 2 2 3 3 LYS HE3 H 1 2.981 0.000 . . . . . . B 25 LYS HE3 . 30480 1 400 . 2 2 3 3 LYS C C 13 175.958 0.008 . . . . . . B 25 LYS C . 30480 1 401 . 2 2 3 3 LYS CA C 13 56.240 0.050 . . . . . . B 25 LYS CA . 30480 1 402 . 2 2 3 3 LYS CB C 13 33.766 0.010 . . . . . . B 25 LYS CB . 30480 1 403 . 2 2 3 3 LYS CG C 13 24.433 0.000 . . . . . . B 25 LYS CG . 30480 1 404 . 2 2 3 3 LYS CD C 13 28.979 0.000 . . . . . . B 25 LYS CD . 30480 1 405 . 2 2 3 3 LYS CE C 13 42.066 0.000 . . . . . . B 25 LYS CE . 30480 1 406 . 2 2 3 3 LYS N N 15 123.273 0.032 . . . . . . B 25 LYS N . 30480 1 407 . 2 2 4 4 ASP H H 1 8.124 0.006 . . . . . . B 26 ASP H . 30480 1 408 . 2 2 4 4 ASP HA H 1 4.564 0.001 . . . . . . B 26 ASP HA . 30480 1 409 . 2 2 4 4 ASP HB2 H 1 2.689 0.009 . . . . . . B 26 ASP HB2 . 30480 1 410 . 2 2 4 4 ASP HB3 H 1 2.678 0.017 . . . . . . B 26 ASP HB3 . 30480 1 411 . 2 2 4 4 ASP C C 13 176.130 0.041 . . . . . . B 26 ASP C . 30480 1 412 . 2 2 4 4 ASP CA C 13 54.811 0.019 . . . . . . B 26 ASP CA . 30480 1 413 . 2 2 4 4 ASP CB C 13 41.220 0.000 . . . . . . B 26 ASP CB . 30480 1 414 . 2 2 4 4 ASP N N 15 121.310 0.069 . . . . . . B 26 ASP N . 30480 1 415 . 2 2 5 5 ASP H H 1 8.202 0.007 . . . . . . B 27 ASP H . 30480 1 416 . 2 2 5 5 ASP HA H 1 4.594 0.000 . . . . . . B 27 ASP HA . 30480 1 417 . 2 2 5 5 ASP HB2 H 1 2.693 0.001 . . . . . . B 27 ASP HB2 . 30480 1 418 . 2 2 5 5 ASP HB3 H 1 2.693 0.001 . . . . . . B 27 ASP HB3 . 30480 1 419 . 2 2 5 5 ASP C C 13 176.408 0.034 . . . . . . B 27 ASP C . 30480 1 420 . 2 2 5 5 ASP CA C 13 54.308 0.000 . . . . . . B 27 ASP CA . 30480 1 421 . 2 2 5 5 ASP CB C 13 41.181 0.000 . . . . . . B 27 ASP CB . 30480 1 422 . 2 2 5 5 ASP N N 15 120.026 0.056 . . . . . . B 27 ASP N . 30480 1 423 . 2 2 6 6 ASP H H 1 8.228 0.002 . . . . . . B 28 ASP H . 30480 1 424 . 2 2 6 6 ASP HA H 1 4.581 0.000 . . . . . . B 28 ASP HA . 30480 1 425 . 2 2 6 6 ASP HB2 H 1 2.712 0.002 . . . . . . B 28 ASP HB2 . 30480 1 426 . 2 2 6 6 ASP HB3 H 1 2.712 0.002 . . . . . . B 28 ASP HB3 . 30480 1 427 . 2 2 6 6 ASP C C 13 176.613 0.042 . . . . . . B 28 ASP C . 30480 1 428 . 2 2 6 6 ASP CA C 13 54.999 0.000 . . . . . . B 28 ASP CA . 30480 1 429 . 2 2 6 6 ASP CB C 13 41.353 0.000 . . . . . . B 28 ASP CB . 30480 1 430 . 2 2 6 6 ASP N N 15 120.556 0.024 . . . . . . B 28 ASP N . 30480 1 431 . 2 2 7 7 ASP H H 1 8.335 0.014 . . . . . . B 29 ASP H . 30480 1 432 . 2 2 7 7 ASP HA H 1 4.621 0.007 . . . . . . B 29 ASP HA . 30480 1 433 . 2 2 7 7 ASP HB2 H 1 2.785 0.006 . . . . . . B 29 ASP HB2 . 30480 1 434 . 2 2 7 7 ASP HB3 H 1 2.783 0.006 . . . . . . B 29 ASP HB3 . 30480 1 435 . 2 2 7 7 ASP C C 13 176.865 0.025 . . . . . . B 29 ASP C . 30480 1 436 . 2 2 7 7 ASP CA C 13 54.560 0.000 . . . . . . B 29 ASP CA . 30480 1 437 . 2 2 7 7 ASP CB C 13 41.021 0.049 . . . . . . B 29 ASP CB . 30480 1 438 . 2 2 7 7 ASP N N 15 120.567 0.023 . . . . . . B 29 ASP N . 30480 1 439 . 2 2 8 8 LYS H H 1 8.152 0.006 . . . . . . B 30 LYS H . 30480 1 440 . 2 2 8 8 LYS HA H 1 4.436 0.011 . . . . . . B 30 LYS HA . 30480 1 441 . 2 2 8 8 LYS HB2 H 1 1.903 0.016 . . . . . . B 30 LYS HB2 . 30480 1 442 . 2 2 8 8 LYS HB3 H 1 1.912 0.018 . . . . . . B 30 LYS HB3 . 30480 1 443 . 2 2 8 8 LYS HG2 H 1 1.498 0.020 . . . . . . B 30 LYS HG2 . 30480 1 444 . 2 2 8 8 LYS HG3 H 1 1.484 0.006 . . . . . . B 30 LYS HG3 . 30480 1 445 . 2 2 8 8 LYS HD2 H 1 1.703 0.010 . . . . . . B 30 LYS HD2 . 30480 1 446 . 2 2 8 8 LYS HD3 H 1 1.703 0.010 . . . . . . B 30 LYS HD3 . 30480 1 447 . 2 2 8 8 LYS HE2 H 1 3.009 0.011 . . . . . . B 30 LYS HE2 . 30480 1 448 . 2 2 8 8 LYS HE3 H 1 3.009 0.011 . . . . . . B 30 LYS HE3 . 30480 1 449 . 2 2 8 8 LYS C C 13 177.038 0.011 . . . . . . B 30 LYS C . 30480 1 450 . 2 2 8 8 LYS CA C 13 56.947 0.039 . . . . . . B 30 LYS CA . 30480 1 451 . 2 2 8 8 LYS CB C 13 32.620 0.057 . . . . . . B 30 LYS CB . 30480 1 452 . 2 2 8 8 LYS CG C 13 24.261 0.000 . . . . . . B 30 LYS CG . 30480 1 453 . 2 2 8 8 LYS CD C 13 29.129 0.068 . . . . . . B 30 LYS CD . 30480 1 454 . 2 2 8 8 LYS CE C 13 42.192 0.065 . . . . . . B 30 LYS CE . 30480 1 455 . 2 2 8 8 LYS N N 15 120.069 0.043 . . . . . . B 30 LYS N . 30480 1 456 . 2 2 9 9 MET H H 1 8.382 0.006 . . . . . . B 31 MET H . 30480 1 457 . 2 2 9 9 MET HA H 1 4.653 0.005 . . . . . . B 31 MET HA . 30480 1 458 . 2 2 9 9 MET HB2 H 1 2.710 0.006 . . . . . . B 31 MET HB2 . 30480 1 459 . 2 2 9 9 MET HB3 H 1 2.542 0.012 . . . . . . B 31 MET HB3 . 30480 1 460 . 2 2 9 9 MET HG2 H 1 2.592 0.000 . . . . . . B 31 MET HG2 . 30480 1 461 . 2 2 9 9 MET HG3 H 1 2.256 0.011 . . . . . . B 31 MET HG3 . 30480 1 462 . 2 2 9 9 MET C C 13 174.905 0.016 . . . . . . B 31 MET C . 30480 1 463 . 2 2 9 9 MET CA C 13 55.991 0.000 . . . . . . B 31 MET CA . 30480 1 464 . 2 2 9 9 MET CB C 13 33.099 0.049 . . . . . . B 31 MET CB . 30480 1 465 . 2 2 9 9 MET CG C 13 33.071 0.028 . . . . . . B 31 MET CG . 30480 1 466 . 2 2 9 9 MET N N 15 118.243 0.062 . . . . . . B 31 MET N . 30480 1 467 . 2 2 10 10 PHE H H 1 7.802 0.006 . . . . . . B 32 PHE H . 30480 1 468 . 2 2 10 10 PHE HA H 1 5.351 0.010 . . . . . . B 32 PHE HA . 30480 1 469 . 2 2 10 10 PHE HB2 H 1 2.941 0.007 . . . . . . B 32 PHE HB2 . 30480 1 470 . 2 2 10 10 PHE HB3 H 1 3.259 0.009 . . . . . . B 32 PHE HB3 . 30480 1 471 . 2 2 10 10 PHE HD1 H 1 7.105 0.008 . . . . . . B 32 PHE HD1 . 30480 1 472 . 2 2 10 10 PHE HD2 H 1 7.105 0.008 . . . . . . B 32 PHE HD2 . 30480 1 473 . 2 2 10 10 PHE HE1 H 1 7.103 0.005 . . . . . . B 32 PHE HE1 . 30480 1 474 . 2 2 10 10 PHE HE2 H 1 7.103 0.005 . . . . . . B 32 PHE HE2 . 30480 1 475 . 2 2 10 10 PHE C C 13 174.379 0.025 . . . . . . B 32 PHE C . 30480 1 476 . 2 2 10 10 PHE CA C 13 56.737 0.024 . . . . . . B 32 PHE CA . 30480 1 477 . 2 2 10 10 PHE CB C 13 41.331 0.019 . . . . . . B 32 PHE CB . 30480 1 478 . 2 2 10 10 PHE CD2 C 13 132.204 0.062 . . . . . . B 32 PHE CD2 . 30480 1 479 . 2 2 10 10 PHE CE1 C 13 130.999 0.079 . . . . . . B 32 PHE CE1 . 30480 1 480 . 2 2 10 10 PHE N N 15 121.067 0.017 . . . . . . B 32 PHE N . 30480 1 481 . 2 2 11 11 LYS H H 1 8.447 0.010 . . . . . . B 33 LYS H . 30480 1 482 . 2 2 11 11 LYS HA H 1 4.490 0.007 . . . . . . B 33 LYS HA . 30480 1 483 . 2 2 11 11 LYS HB2 H 1 1.391 0.017 . . . . . . B 33 LYS HB2 . 30480 1 484 . 2 2 11 11 LYS HB3 H 1 1.347 0.011 . . . . . . B 33 LYS HB3 . 30480 1 485 . 2 2 11 11 LYS HG2 H 1 0.901 0.007 . . . . . . B 33 LYS HG2 . 30480 1 486 . 2 2 11 11 LYS HG3 H 1 0.682 0.011 . . . . . . B 33 LYS HG3 . 30480 1 487 . 2 2 11 11 LYS HD2 H 1 1.437 0.008 . . . . . . B 33 LYS HD2 . 30480 1 488 . 2 2 11 11 LYS HD3 H 1 1.180 0.008 . . . . . . B 33 LYS HD3 . 30480 1 489 . 2 2 11 11 LYS HE2 H 1 2.486 0.003 . . . . . . B 33 LYS HE2 . 30480 1 490 . 2 2 11 11 LYS HE3 H 1 2.751 0.001 . . . . . . B 33 LYS HE3 . 30480 1 491 . 2 2 11 11 LYS C C 13 174.615 0.009 . . . . . . B 33 LYS C . 30480 1 492 . 2 2 11 11 LYS CA C 13 53.175 0.043 . . . . . . B 33 LYS CA . 30480 1 493 . 2 2 11 11 LYS CB C 13 34.356 0.033 . . . . . . B 33 LYS CB . 30480 1 494 . 2 2 11 11 LYS CG C 13 23.914 0.011 . . . . . . B 33 LYS CG . 30480 1 495 . 2 2 11 11 LYS CD C 13 28.610 0.090 . . . . . . B 33 LYS CD . 30480 1 496 . 2 2 11 11 LYS CE C 13 42.567 0.063 . . . . . . B 33 LYS CE . 30480 1 497 . 2 2 11 11 LYS N N 15 125.151 0.033 . . . . . . B 33 LYS N . 30480 1 498 . 2 2 12 12 LEU H H 1 8.246 0.007 . . . . . . B 34 LEU H . 30480 1 499 . 2 2 12 12 LEU HA H 1 4.199 0.009 . . . . . . B 34 LEU HA . 30480 1 500 . 2 2 12 12 LEU HB2 H 1 1.549 0.004 . . . . . . B 34 LEU HB2 . 30480 1 501 . 2 2 12 12 LEU HB3 H 1 1.645 0.005 . . . . . . B 34 LEU HB3 . 30480 1 502 . 2 2 12 12 LEU HG H 1 1.637 0.004 . . . . . . B 34 LEU HG . 30480 1 503 . 2 2 12 12 LEU HD11 H 1 0.977 0.009 . . . . . . B 34 LEU HD11 . 30480 1 504 . 2 2 12 12 LEU HD12 H 1 0.977 0.009 . . . . . . B 34 LEU HD12 . 30480 1 505 . 2 2 12 12 LEU HD13 H 1 0.977 0.009 . . . . . . B 34 LEU HD13 . 30480 1 506 . 2 2 12 12 LEU HD21 H 1 1.091 0.011 . . . . . . B 34 LEU HD21 . 30480 1 507 . 2 2 12 12 LEU HD22 H 1 1.091 0.011 . . . . . . B 34 LEU HD22 . 30480 1 508 . 2 2 12 12 LEU HD23 H 1 1.091 0.011 . . . . . . B 34 LEU HD23 . 30480 1 509 . 2 2 12 12 LEU C C 13 177.253 0.008 . . . . . . B 34 LEU C . 30480 1 510 . 2 2 12 12 LEU CA C 13 54.727 0.016 . . . . . . B 34 LEU CA . 30480 1 511 . 2 2 12 12 LEU CB C 13 43.998 0.037 . . . . . . B 34 LEU CB . 30480 1 512 . 2 2 12 12 LEU CG C 13 27.360 0.037 . . . . . . B 34 LEU CG . 30480 1 513 . 2 2 12 12 LEU CD1 C 13 24.849 0.017 . . . . . . B 34 LEU CD1 . 30480 1 514 . 2 2 12 12 LEU CD2 C 13 24.573 0.015 . . . . . . B 34 LEU CD2 . 30480 1 515 . 2 2 12 12 LEU N N 15 123.210 0.044 . . . . . . B 34 LEU N . 30480 1 516 . 2 2 13 13 ASN H H 1 8.425 0.009 . . . . . . B 35 ASN H . 30480 1 517 . 2 2 13 13 ASN HA H 1 4.756 0.005 . . . . . . B 35 ASN HA . 30480 1 518 . 2 2 13 13 ASN HB2 H 1 2.868 0.010 . . . . . . B 35 ASN HB2 . 30480 1 519 . 2 2 13 13 ASN HB3 H 1 1.671 0.004 . . . . . . B 35 ASN HB3 . 30480 1 520 . 2 2 13 13 ASN HD21 H 1 5.935 0.009 . . . . . . B 35 ASN HD21 . 30480 1 521 . 2 2 13 13 ASN HD22 H 1 7.339 0.005 . . . . . . B 35 ASN HD22 . 30480 1 522 . 2 2 13 13 ASN C C 13 175.691 0.002 . . . . . . B 35 ASN C . 30480 1 523 . 2 2 13 13 ASN CA C 13 51.434 0.078 . . . . . . B 35 ASN CA . 30480 1 524 . 2 2 13 13 ASN CB C 13 36.917 0.025 . . . . . . B 35 ASN CB . 30480 1 525 . 2 2 13 13 ASN N N 15 120.370 0.027 . . . . . . B 35 ASN N . 30480 1 526 . 2 2 13 13 ASN ND2 N 15 108.550 0.067 . . . . . . B 35 ASN ND2 . 30480 1 527 . 2 2 14 14 THR H H 1 7.939 0.010 . . . . . . B 36 THR H . 30480 1 528 . 2 2 14 14 THR HA H 1 4.354 0.009 . . . . . . B 36 THR HA . 30480 1 529 . 2 2 14 14 THR HB H 1 4.469 0.001 . . . . . . B 36 THR HB . 30480 1 530 . 2 2 14 14 THR HG21 H 1 1.226 0.009 . . . . . . B 36 THR HG21 . 30480 1 531 . 2 2 14 14 THR HG22 H 1 1.226 0.009 . . . . . . B 36 THR HG22 . 30480 1 532 . 2 2 14 14 THR HG23 H 1 1.226 0.009 . . . . . . B 36 THR HG23 . 30480 1 533 . 2 2 14 14 THR C C 13 175.316 0.036 . . . . . . B 36 THR C . 30480 1 534 . 2 2 14 14 THR CA C 13 62.392 0.033 . . . . . . B 36 THR CA . 30480 1 535 . 2 2 14 14 THR CB C 13 68.687 0.006 . . . . . . B 36 THR CB . 30480 1 536 . 2 2 14 14 THR CG2 C 13 22.260 0.000 . . . . . . B 36 THR CG2 . 30480 1 537 . 2 2 14 14 THR N N 15 116.806 0.043 . . . . . . B 36 THR N . 30480 1 538 . 2 2 15 15 LYS H H 1 7.180 0.005 . . . . . . B 37 LYS H . 30480 1 539 . 2 2 15 15 LYS HA H 1 4.518 0.008 . . . . . . B 37 LYS HA . 30480 1 540 . 2 2 15 15 LYS HB2 H 1 1.394 0.009 . . . . . . B 37 LYS HB2 . 30480 1 541 . 2 2 15 15 LYS HB3 H 1 2.162 0.005 . . . . . . B 37 LYS HB3 . 30480 1 542 . 2 2 15 15 LYS HG2 H 1 1.367 0.002 . . . . . . B 37 LYS HG2 . 30480 1 543 . 2 2 15 15 LYS HG3 H 1 1.370 0.006 . . . . . . B 37 LYS HG3 . 30480 1 544 . 2 2 15 15 LYS C C 13 175.107 0.004 . . . . . . B 37 LYS C . 30480 1 545 . 2 2 15 15 LYS CA C 13 55.293 0.026 . . . . . . B 37 LYS CA . 30480 1 546 . 2 2 15 15 LYS CB C 13 33.583 0.037 . . . . . . B 37 LYS CB . 30480 1 547 . 2 2 15 15 LYS CG C 13 25.383 0.014 . . . . . . B 37 LYS CG . 30480 1 548 . 2 2 15 15 LYS N N 15 118.587 0.072 . . . . . . B 37 LYS N . 30480 1 549 . 2 2 16 16 ASN H H 1 8.066 0.007 . . . . . . B 38 ASN H . 30480 1 550 . 2 2 16 16 ASN HA H 1 4.185 0.012 . . . . . . B 38 ASN HA . 30480 1 551 . 2 2 16 16 ASN HB2 H 1 2.588 0.011 . . . . . . B 38 ASN HB2 . 30480 1 552 . 2 2 16 16 ASN HB3 H 1 3.077 0.008 . . . . . . B 38 ASN HB3 . 30480 1 553 . 2 2 16 16 ASN C C 13 174.043 0.010 . . . . . . B 38 ASN C . 30480 1 554 . 2 2 16 16 ASN CA C 13 54.001 0.027 . . . . . . B 38 ASN CA . 30480 1 555 . 2 2 16 16 ASN CB C 13 37.185 0.026 . . . . . . B 38 ASN CB . 30480 1 556 . 2 2 16 16 ASN N N 15 116.122 0.029 . . . . . . B 38 ASN N . 30480 1 557 . 2 2 17 17 ILE H H 1 7.857 0.009 . . . . . . B 39 ILE H . 30480 1 558 . 2 2 17 17 ILE HA H 1 4.054 0.008 . . . . . . B 39 ILE HA . 30480 1 559 . 2 2 17 17 ILE HB H 1 1.633 0.006 . . . . . . B 39 ILE HB . 30480 1 560 . 2 2 17 17 ILE HG12 H 1 1.076 0.011 . . . . . . B 39 ILE HG12 . 30480 1 561 . 2 2 17 17 ILE HG13 H 1 1.568 0.010 . . . . . . B 39 ILE HG13 . 30480 1 562 . 2 2 17 17 ILE HG21 H 1 1.110 0.010 . . . . . . B 39 ILE HG21 . 30480 1 563 . 2 2 17 17 ILE HG22 H 1 1.110 0.010 . . . . . . B 39 ILE HG22 . 30480 1 564 . 2 2 17 17 ILE HG23 H 1 1.110 0.010 . . . . . . B 39 ILE HG23 . 30480 1 565 . 2 2 17 17 ILE HD11 H 1 0.802 0.006 . . . . . . B 39 ILE HD11 . 30480 1 566 . 2 2 17 17 ILE HD12 H 1 0.802 0.006 . . . . . . B 39 ILE HD12 . 30480 1 567 . 2 2 17 17 ILE HD13 H 1 0.802 0.006 . . . . . . B 39 ILE HD13 . 30480 1 568 . 2 2 17 17 ILE C C 13 176.171 0.007 . . . . . . B 39 ILE C . 30480 1 569 . 2 2 17 17 ILE CA C 13 62.601 0.058 . . . . . . B 39 ILE CA . 30480 1 570 . 2 2 17 17 ILE CB C 13 38.224 0.020 . . . . . . B 39 ILE CB . 30480 1 571 . 2 2 17 17 ILE CG1 C 13 29.303 0.023 . . . . . . B 39 ILE CG1 . 30480 1 572 . 2 2 17 17 ILE CG2 C 13 19.279 0.013 . . . . . . B 39 ILE CG2 . 30480 1 573 . 2 2 17 17 ILE CD1 C 13 12.848 0.040 . . . . . . B 39 ILE CD1 . 30480 1 574 . 2 2 17 17 ILE N N 15 117.668 0.037 . . . . . . B 39 ILE N . 30480 1 575 . 2 2 18 18 LYS H H 1 8.601 0.006 . . . . . . B 40 LYS H . 30480 1 576 . 2 2 18 18 LYS HA H 1 5.211 0.008 . . . . . . B 40 LYS HA . 30480 1 577 . 2 2 18 18 LYS HB2 H 1 1.891 0.008 . . . . . . B 40 LYS HB2 . 30480 1 578 . 2 2 18 18 LYS HB3 H 1 1.706 0.006 . . . . . . B 40 LYS HB3 . 30480 1 579 . 2 2 18 18 LYS HG2 H 1 1.154 0.011 . . . . . . B 40 LYS HG2 . 30480 1 580 . 2 2 18 18 LYS HG3 H 1 1.520 0.010 . . . . . . B 40 LYS HG3 . 30480 1 581 . 2 2 18 18 LYS HD2 H 1 1.491 0.007 . . . . . . B 40 LYS HD2 . 30480 1 582 . 2 2 18 18 LYS HD3 H 1 1.489 0.004 . . . . . . B 40 LYS HD3 . 30480 1 583 . 2 2 18 18 LYS HE2 H 1 2.927 0.001 . . . . . . B 40 LYS HE2 . 30480 1 584 . 2 2 18 18 LYS HE3 H 1 2.927 0.001 . . . . . . B 40 LYS HE3 . 30480 1 585 . 2 2 18 18 LYS C C 13 175.129 0.007 . . . . . . B 40 LYS C . 30480 1 586 . 2 2 18 18 LYS CA C 13 55.020 0.025 . . . . . . B 40 LYS CA . 30480 1 587 . 2 2 18 18 LYS CB C 13 37.142 0.077 . . . . . . B 40 LYS CB . 30480 1 588 . 2 2 18 18 LYS CG C 13 25.776 0.047 . . . . . . B 40 LYS CG . 30480 1 589 . 2 2 18 18 LYS CD C 13 29.531 0.018 . . . . . . B 40 LYS CD . 30480 1 590 . 2 2 18 18 LYS N N 15 124.910 0.052 . . . . . . B 40 LYS N . 30480 1 591 . 2 2 19 19 VAL H H 1 9.684 0.007 . . . . . . B 41 VAL H . 30480 1 592 . 2 2 19 19 VAL HA H 1 5.661 0.007 . . . . . . B 41 VAL HA . 30480 1 593 . 2 2 19 19 VAL HB H 1 1.778 0.005 . . . . . . B 41 VAL HB . 30480 1 594 . 2 2 19 19 VAL HG11 H 1 0.753 0.008 . . . . . . B 41 VAL HG11 . 30480 1 595 . 2 2 19 19 VAL HG12 H 1 0.753 0.008 . . . . . . B 41 VAL HG12 . 30480 1 596 . 2 2 19 19 VAL HG13 H 1 0.753 0.008 . . . . . . B 41 VAL HG13 . 30480 1 597 . 2 2 19 19 VAL HG21 H 1 1.148 0.010 . . . . . . B 41 VAL HG21 . 30480 1 598 . 2 2 19 19 VAL HG22 H 1 1.148 0.010 . . . . . . B 41 VAL HG22 . 30480 1 599 . 2 2 19 19 VAL HG23 H 1 1.148 0.010 . . . . . . B 41 VAL HG23 . 30480 1 600 . 2 2 19 19 VAL C C 13 174.320 0.006 . . . . . . B 41 VAL C . 30480 1 601 . 2 2 19 19 VAL CA C 13 58.812 0.015 . . . . . . B 41 VAL CA . 30480 1 602 . 2 2 19 19 VAL CB C 13 35.980 0.035 . . . . . . B 41 VAL CB . 30480 1 603 . 2 2 19 19 VAL CG1 C 13 20.313 0.073 . . . . . . B 41 VAL CG1 . 30480 1 604 . 2 2 19 19 VAL CG2 C 13 22.935 0.013 . . . . . . B 41 VAL CG2 . 30480 1 605 . 2 2 19 19 VAL N N 15 118.873 0.041 . . . . . . B 41 VAL N . 30480 1 606 . 2 2 20 20 LEU H H 1 9.098 0.008 . . . . . . B 42 LEU H . 30480 1 607 . 2 2 20 20 LEU HA H 1 3.719 0.008 . . . . . . B 42 LEU HA . 30480 1 608 . 2 2 20 20 LEU HB2 H 1 1.135 0.003 . . . . . . B 42 LEU HB2 . 30480 1 609 . 2 2 20 20 LEU HB3 H 1 1.981 0.005 . . . . . . B 42 LEU HB3 . 30480 1 610 . 2 2 20 20 LEU HG H 1 1.447 0.003 . . . . . . B 42 LEU HG . 30480 1 611 . 2 2 20 20 LEU HD11 H 1 0.667 0.007 . . . . . . B 42 LEU HD11 . 30480 1 612 . 2 2 20 20 LEU HD12 H 1 0.667 0.007 . . . . . . B 42 LEU HD12 . 30480 1 613 . 2 2 20 20 LEU HD13 H 1 0.667 0.007 . . . . . . B 42 LEU HD13 . 30480 1 614 . 2 2 20 20 LEU HD21 H 1 0.055 0.010 . . . . . . B 42 LEU HD21 . 30480 1 615 . 2 2 20 20 LEU HD22 H 1 0.055 0.010 . . . . . . B 42 LEU HD22 . 30480 1 616 . 2 2 20 20 LEU HD23 H 1 0.055 0.010 . . . . . . B 42 LEU HD23 . 30480 1 617 . 2 2 20 20 LEU C C 13 176.095 0.004 . . . . . . B 42 LEU C . 30480 1 618 . 2 2 20 20 LEU CA C 13 57.478 0.019 . . . . . . B 42 LEU CA . 30480 1 619 . 2 2 20 20 LEU CB C 13 41.578 0.031 . . . . . . B 42 LEU CB . 30480 1 620 . 2 2 20 20 LEU CG C 13 26.528 0.031 . . . . . . B 42 LEU CG . 30480 1 621 . 2 2 20 20 LEU CD1 C 13 25.483 0.028 . . . . . . B 42 LEU CD1 . 30480 1 622 . 2 2 20 20 LEU CD2 C 13 20.504 0.016 . . . . . . B 42 LEU CD2 . 30480 1 623 . 2 2 20 20 LEU N N 15 127.234 0.066 . . . . . . B 42 LEU N . 30480 1 624 . 2 2 21 21 THR H H 1 7.641 0.008 . . . . . . B 43 THR H . 30480 1 625 . 2 2 21 21 THR HA H 1 4.739 0.014 . . . . . . B 43 THR HA . 30480 1 626 . 2 2 21 21 THR HB H 1 4.721 0.009 . . . . . . B 43 THR HB . 30480 1 627 . 2 2 21 21 THR HG21 H 1 1.461 0.009 . . . . . . B 43 THR HG21 . 30480 1 628 . 2 2 21 21 THR HG22 H 1 1.461 0.009 . . . . . . B 43 THR HG22 . 30480 1 629 . 2 2 21 21 THR HG23 H 1 1.461 0.009 . . . . . . B 43 THR HG23 . 30480 1 630 . 2 2 21 21 THR C C 13 174.100 0.000 . . . . . . B 43 THR C . 30480 1 631 . 2 2 21 21 THR CA C 13 60.069 0.018 . . . . . . B 43 THR CA . 30480 1 632 . 2 2 21 21 THR CB C 13 70.709 0.113 . . . . . . B 43 THR CB . 30480 1 633 . 2 2 21 21 THR CG2 C 13 23.192 0.036 . . . . . . B 43 THR CG2 . 30480 1 634 . 2 2 21 21 THR N N 15 121.329 0.049 . . . . . . B 43 THR N . 30480 1 635 . 2 2 22 22 PRO HA H 1 4.647 0.013 . . . . . . B 44 PRO HA . 30480 1 636 . 2 2 22 22 PRO HB2 H 1 2.414 0.006 . . . . . . B 44 PRO HB2 . 30480 1 637 . 2 2 22 22 PRO HB3 H 1 1.977 0.007 . . . . . . B 44 PRO HB3 . 30480 1 638 . 2 2 22 22 PRO HG2 H 1 1.475 0.005 . . . . . . B 44 PRO HG2 . 30480 1 639 . 2 2 22 22 PRO HG3 H 1 1.909 0.005 . . . . . . B 44 PRO HG3 . 30480 1 640 . 2 2 22 22 PRO HD2 H 1 2.582 0.007 . . . . . . B 44 PRO HD2 . 30480 1 641 . 2 2 22 22 PRO HD3 H 1 3.644 0.008 . . . . . . B 44 PRO HD3 . 30480 1 642 . 2 2 22 22 PRO C C 13 175.975 0.006 . . . . . . B 44 PRO C . 30480 1 643 . 2 2 22 22 PRO CA C 13 64.964 0.000 . . . . . . B 44 PRO CA . 30480 1 644 . 2 2 22 22 PRO CB C 13 31.598 0.035 . . . . . . B 44 PRO CB . 30480 1 645 . 2 2 22 22 PRO CG C 13 28.312 0.057 . . . . . . B 44 PRO CG . 30480 1 646 . 2 2 22 22 PRO CD C 13 50.085 0.037 . . . . . . B 44 PRO CD . 30480 1 647 . 2 2 23 23 SER H H 1 8.233 0.007 . . . . . . B 45 SER H . 30480 1 648 . 2 2 23 23 SER HA H 1 4.761 0.006 . . . . . . B 45 SER HA . 30480 1 649 . 2 2 23 23 SER HB2 H 1 3.905 0.012 . . . . . . B 45 SER HB2 . 30480 1 650 . 2 2 23 23 SER HB3 H 1 3.887 0.016 . . . . . . B 45 SER HB3 . 30480 1 651 . 2 2 23 23 SER C C 13 173.551 0.004 . . . . . . B 45 SER C . 30480 1 652 . 2 2 23 23 SER CA C 13 57.080 0.019 . . . . . . B 45 SER CA . 30480 1 653 . 2 2 23 23 SER CB C 13 63.486 0.031 . . . . . . B 45 SER CB . 30480 1 654 . 2 2 23 23 SER N N 15 111.419 0.046 . . . . . . B 45 SER N . 30480 1 655 . 2 2 24 24 GLY H H 1 7.694 0.007 . . . . . . B 46 GLY H . 30480 1 656 . 2 2 24 24 GLY HA2 H 1 4.752 0.010 . . . . . . B 46 GLY HA2 . 30480 1 657 . 2 2 24 24 GLY HA3 H 1 3.672 0.010 . . . . . . B 46 GLY HA3 . 30480 1 658 . 2 2 24 24 GLY C C 13 176.252 0.000 . . . . . . B 46 GLY C . 30480 1 659 . 2 2 24 24 GLY CA C 13 43.407 0.025 . . . . . . B 46 GLY CA . 30480 1 660 . 2 2 24 24 GLY N N 15 108.814 0.022 . . . . . . B 46 GLY N . 30480 1 661 . 2 2 25 25 PHE HA H 1 4.996 0.009 . . . . . . B 47 PHE HA . 30480 1 662 . 2 2 25 25 PHE HB2 H 1 2.918 0.005 . . . . . . B 47 PHE HB2 . 30480 1 663 . 2 2 25 25 PHE HB3 H 1 2.782 0.007 . . . . . . B 47 PHE HB3 . 30480 1 664 . 2 2 25 25 PHE HD1 H 1 7.069 0.007 . . . . . . B 47 PHE HD1 . 30480 1 665 . 2 2 25 25 PHE HE1 H 1 7.309 0.007 . . . . . . B 47 PHE HE1 . 30480 1 666 . 2 2 25 25 PHE HE2 H 1 7.208 0.008 . . . . . . B 47 PHE HE2 . 30480 1 667 . 2 2 25 25 PHE C C 13 176.872 0.003 . . . . . . B 47 PHE C . 30480 1 668 . 2 2 25 25 PHE CA C 13 60.924 0.027 . . . . . . B 47 PHE CA . 30480 1 669 . 2 2 25 25 PHE CB C 13 39.140 0.044 . . . . . . B 47 PHE CB . 30480 1 670 . 2 2 26 26 LYS H H 1 9.329 0.006 . . . . . . B 48 LYS H . 30480 1 671 . 2 2 26 26 LYS HA H 1 5.069 0.008 . . . . . . B 48 LYS HA . 30480 1 672 . 2 2 26 26 LYS HB2 H 1 1.933 0.012 . . . . . . B 48 LYS HB2 . 30480 1 673 . 2 2 26 26 LYS HB3 H 1 1.887 0.016 . . . . . . B 48 LYS HB3 . 30480 1 674 . 2 2 26 26 LYS HG2 H 1 1.686 0.010 . . . . . . B 48 LYS HG2 . 30480 1 675 . 2 2 26 26 LYS HG3 H 1 1.201 0.011 . . . . . . B 48 LYS HG3 . 30480 1 676 . 2 2 26 26 LYS HD2 H 1 1.952 0.005 . . . . . . B 48 LYS HD2 . 30480 1 677 . 2 2 26 26 LYS HD3 H 1 1.717 0.009 . . . . . . B 48 LYS HD3 . 30480 1 678 . 2 2 26 26 LYS HE2 H 1 2.671 0.004 . . . . . . B 48 LYS HE2 . 30480 1 679 . 2 2 26 26 LYS HE3 H 1 2.673 0.005 . . . . . . B 48 LYS HE3 . 30480 1 680 . 2 2 26 26 LYS C C 13 175.953 0.010 . . . . . . B 48 LYS C . 30480 1 681 . 2 2 26 26 LYS CA C 13 52.912 0.028 . . . . . . B 48 LYS CA . 30480 1 682 . 2 2 26 26 LYS CB C 13 36.932 0.050 . . . . . . B 48 LYS CB . 30480 1 683 . 2 2 26 26 LYS CG C 13 24.414 0.084 . . . . . . B 48 LYS CG . 30480 1 684 . 2 2 26 26 LYS CD C 13 28.446 0.059 . . . . . . B 48 LYS CD . 30480 1 685 . 2 2 26 26 LYS CE C 13 42.712 0.039 . . . . . . B 48 LYS CE . 30480 1 686 . 2 2 26 26 LYS N N 15 122.751 0.064 . . . . . . B 48 LYS N . 30480 1 687 . 2 2 27 27 SER H H 1 8.857 0.008 . . . . . . B 49 SER H . 30480 1 688 . 2 2 27 27 SER HA H 1 4.571 0.008 . . . . . . B 49 SER HA . 30480 1 689 . 2 2 27 27 SER HB2 H 1 3.905 0.010 . . . . . . B 49 SER HB2 . 30480 1 690 . 2 2 27 27 SER HB3 H 1 3.905 0.010 . . . . . . B 49 SER HB3 . 30480 1 691 . 2 2 27 27 SER C C 13 171.560 0.010 . . . . . . B 49 SER C . 30480 1 692 . 2 2 27 27 SER CA C 13 59.040 0.039 . . . . . . B 49 SER CA . 30480 1 693 . 2 2 27 27 SER CB C 13 64.146 0.030 . . . . . . B 49 SER CB . 30480 1 694 . 2 2 27 27 SER N N 15 115.937 0.026 . . . . . . B 49 SER N . 30480 1 695 . 2 2 28 28 PHE H H 1 6.812 0.008 . . . . . . B 50 PHE H . 30480 1 696 . 2 2 28 28 PHE HA H 1 5.814 0.010 . . . . . . B 50 PHE HA . 30480 1 697 . 2 2 28 28 PHE HB2 H 1 3.049 0.022 . . . . . . B 50 PHE HB2 . 30480 1 698 . 2 2 28 28 PHE HB3 H 1 3.065 0.013 . . . . . . B 50 PHE HB3 . 30480 1 699 . 2 2 28 28 PHE HD1 H 1 7.258 0.009 . . . . . . B 50 PHE HD1 . 30480 1 700 . 2 2 28 28 PHE HD2 H 1 7.258 0.009 . . . . . . B 50 PHE HD2 . 30480 1 701 . 2 2 28 28 PHE HE1 H 1 6.784 0.008 . . . . . . B 50 PHE HE1 . 30480 1 702 . 2 2 28 28 PHE HE2 H 1 6.784 0.008 . . . . . . B 50 PHE HE2 . 30480 1 703 . 2 2 28 28 PHE C C 13 175.711 0.003 . . . . . . B 50 PHE C . 30480 1 704 . 2 2 28 28 PHE CA C 13 54.797 0.015 . . . . . . B 50 PHE CA . 30480 1 705 . 2 2 28 28 PHE CB C 13 41.914 0.030 . . . . . . B 50 PHE CB . 30480 1 706 . 2 2 28 28 PHE CD1 C 13 133.171 0.018 . . . . . . B 50 PHE CD1 . 30480 1 707 . 2 2 28 28 PHE CE1 C 13 130.443 0.015 . . . . . . B 50 PHE CE1 . 30480 1 708 . 2 2 28 28 PHE N N 15 112.784 0.048 . . . . . . B 50 PHE N . 30480 1 709 . 2 2 29 29 SER H H 1 8.827 0.005 . . . . . . B 51 SER H . 30480 1 710 . 2 2 29 29 SER HA H 1 4.588 0.008 . . . . . . B 51 SER HA . 30480 1 711 . 2 2 29 29 SER HB2 H 1 4.015 0.008 . . . . . . B 51 SER HB2 . 30480 1 712 . 2 2 29 29 SER HB3 H 1 4.095 0.004 . . . . . . B 51 SER HB3 . 30480 1 713 . 2 2 29 29 SER C C 13 176.205 0.004 . . . . . . B 51 SER C . 30480 1 714 . 2 2 29 29 SER CA C 13 61.898 0.045 . . . . . . B 51 SER CA . 30480 1 715 . 2 2 29 29 SER CB C 13 63.634 0.051 . . . . . . B 51 SER CB . 30480 1 716 . 2 2 29 29 SER N N 15 118.268 0.013 . . . . . . B 51 SER N . 30480 1 717 . 2 2 30 30 GLY H H 1 7.694 0.006 . . . . . . B 52 GLY H . 30480 1 718 . 2 2 30 30 GLY HA2 H 1 4.582 0.009 . . . . . . B 52 GLY HA2 . 30480 1 719 . 2 2 30 30 GLY HA3 H 1 3.995 0.010 . . . . . . B 52 GLY HA3 . 30480 1 720 . 2 2 30 30 GLY C C 13 169.368 0.005 . . . . . . B 52 GLY C . 30480 1 721 . 2 2 30 30 GLY CA C 13 46.314 0.042 . . . . . . B 52 GLY CA . 30480 1 722 . 2 2 30 30 GLY N N 15 106.218 0.021 . . . . . . B 52 GLY N . 30480 1 723 . 2 2 31 31 ILE H H 1 8.770 0.007 . . . . . . B 53 ILE H . 30480 1 724 . 2 2 31 31 ILE HA H 1 5.447 0.007 . . . . . . B 53 ILE HA . 30480 1 725 . 2 2 31 31 ILE HB H 1 1.600 0.005 . . . . . . B 53 ILE HB . 30480 1 726 . 2 2 31 31 ILE HG12 H 1 1.939 0.007 . . . . . . B 53 ILE HG12 . 30480 1 727 . 2 2 31 31 ILE HG13 H 1 1.314 0.007 . . . . . . B 53 ILE HG13 . 30480 1 728 . 2 2 31 31 ILE HG21 H 1 1.088 0.008 . . . . . . B 53 ILE HG21 . 30480 1 729 . 2 2 31 31 ILE HG22 H 1 1.088 0.008 . . . . . . B 53 ILE HG22 . 30480 1 730 . 2 2 31 31 ILE HG23 H 1 1.088 0.008 . . . . . . B 53 ILE HG23 . 30480 1 731 . 2 2 31 31 ILE HD11 H 1 0.960 0.006 . . . . . . B 53 ILE HD11 . 30480 1 732 . 2 2 31 31 ILE HD12 H 1 0.960 0.006 . . . . . . B 53 ILE HD12 . 30480 1 733 . 2 2 31 31 ILE HD13 H 1 0.960 0.006 . . . . . . B 53 ILE HD13 . 30480 1 734 . 2 2 31 31 ILE C C 13 171.044 0.027 . . . . . . B 53 ILE C . 30480 1 735 . 2 2 31 31 ILE CA C 13 58.628 0.024 . . . . . . B 53 ILE CA . 30480 1 736 . 2 2 31 31 ILE CB C 13 42.472 0.057 . . . . . . B 53 ILE CB . 30480 1 737 . 2 2 31 31 ILE CG1 C 13 28.166 0.036 . . . . . . B 53 ILE CG1 . 30480 1 738 . 2 2 31 31 ILE CG2 C 13 16.474 0.059 . . . . . . B 53 ILE CG2 . 30480 1 739 . 2 2 31 31 ILE CD1 C 13 14.819 0.023 . . . . . . B 53 ILE CD1 . 30480 1 740 . 2 2 31 31 ILE N N 15 118.855 0.072 . . . . . . B 53 ILE N . 30480 1 741 . 2 2 32 32 GLN H H 1 9.095 0.007 . . . . . . B 54 GLN H . 30480 1 742 . 2 2 32 32 GLN HA H 1 5.329 0.009 . . . . . . B 54 GLN HA . 30480 1 743 . 2 2 32 32 GLN HB2 H 1 1.903 0.008 . . . . . . B 54 GLN HB2 . 30480 1 744 . 2 2 32 32 GLN HB3 H 1 1.617 0.006 . . . . . . B 54 GLN HB3 . 30480 1 745 . 2 2 32 32 GLN HG2 H 1 1.906 0.003 . . . . . . B 54 GLN HG2 . 30480 1 746 . 2 2 32 32 GLN HG3 H 1 2.042 0.002 . . . . . . B 54 GLN HG3 . 30480 1 747 . 2 2 32 32 GLN C C 13 173.122 0.008 . . . . . . B 54 GLN C . 30480 1 748 . 2 2 32 32 GLN CA C 13 53.827 0.021 . . . . . . B 54 GLN CA . 30480 1 749 . 2 2 32 32 GLN CB C 13 33.354 0.015 . . . . . . B 54 GLN CB . 30480 1 750 . 2 2 32 32 GLN CG C 13 33.258 0.013 . . . . . . B 54 GLN CG . 30480 1 751 . 2 2 32 32 GLN N N 15 127.182 0.034 . . . . . . B 54 GLN N . 30480 1 752 . 2 2 33 33 LYS H H 1 8.238 0.006 . . . . . . B 55 LYS H . 30480 1 753 . 2 2 33 33 LYS HA H 1 4.948 0.006 . . . . . . B 55 LYS HA . 30480 1 754 . 2 2 33 33 LYS HB2 H 1 1.547 0.011 . . . . . . B 55 LYS HB2 . 30480 1 755 . 2 2 33 33 LYS HB3 H 1 0.979 0.009 . . . . . . B 55 LYS HB3 . 30480 1 756 . 2 2 33 33 LYS HG2 H 1 0.817 0.008 . . . . . . B 55 LYS HG2 . 30480 1 757 . 2 2 33 33 LYS HG3 H 1 0.405 0.009 . . . . . . B 55 LYS HG3 . 30480 1 758 . 2 2 33 33 LYS HD2 H 1 1.069 0.003 . . . . . . B 55 LYS HD2 . 30480 1 759 . 2 2 33 33 LYS HD3 H 1 0.825 0.009 . . . . . . B 55 LYS HD3 . 30480 1 760 . 2 2 33 33 LYS HE2 H 1 2.198 0.002 . . . . . . B 55 LYS HE2 . 30480 1 761 . 2 2 33 33 LYS HE3 H 1 2.069 0.005 . . . . . . B 55 LYS HE3 . 30480 1 762 . 2 2 33 33 LYS C C 13 175.195 0.009 . . . . . . B 55 LYS C . 30480 1 763 . 2 2 33 33 LYS CA C 13 54.452 0.030 . . . . . . B 55 LYS CA . 30480 1 764 . 2 2 33 33 LYS CB C 13 35.753 0.025 . . . . . . B 55 LYS CB . 30480 1 765 . 2 2 33 33 LYS CG C 13 24.666 0.012 . . . . . . B 55 LYS CG . 30480 1 766 . 2 2 33 33 LYS CD C 13 29.986 0.031 . . . . . . B 55 LYS CD . 30480 1 767 . 2 2 33 33 LYS CE C 13 41.462 0.017 . . . . . . B 55 LYS CE . 30480 1 768 . 2 2 33 33 LYS N N 15 126.858 0.040 . . . . . . B 55 LYS N . 30480 1 769 . 2 2 34 34 VAL H H 1 9.073 0.010 . . . . . . B 56 VAL H . 30480 1 770 . 2 2 34 34 VAL HA H 1 4.591 0.008 . . . . . . B 56 VAL HA . 30480 1 771 . 2 2 34 34 VAL HB H 1 1.884 0.010 . . . . . . B 56 VAL HB . 30480 1 772 . 2 2 34 34 VAL HG11 H 1 0.701 0.005 . . . . . . B 56 VAL HG11 . 30480 1 773 . 2 2 34 34 VAL HG12 H 1 0.701 0.005 . . . . . . B 56 VAL HG12 . 30480 1 774 . 2 2 34 34 VAL HG13 H 1 0.701 0.005 . . . . . . B 56 VAL HG13 . 30480 1 775 . 2 2 34 34 VAL HG21 H 1 0.769 0.011 . . . . . . B 56 VAL HG21 . 30480 1 776 . 2 2 34 34 VAL HG22 H 1 0.769 0.011 . . . . . . B 56 VAL HG22 . 30480 1 777 . 2 2 34 34 VAL HG23 H 1 0.769 0.011 . . . . . . B 56 VAL HG23 . 30480 1 778 . 2 2 34 34 VAL C C 13 172.609 0.006 . . . . . . B 56 VAL C . 30480 1 779 . 2 2 34 34 VAL CA C 13 59.766 0.049 . . . . . . B 56 VAL CA . 30480 1 780 . 2 2 34 34 VAL CB C 13 35.851 0.018 . . . . . . B 56 VAL CB . 30480 1 781 . 2 2 34 34 VAL CG1 C 13 20.969 0.082 . . . . . . B 56 VAL CG1 . 30480 1 782 . 2 2 34 34 VAL CG2 C 13 20.679 0.047 . . . . . . B 56 VAL CG2 . 30480 1 783 . 2 2 34 34 VAL N N 15 122.644 0.029 . . . . . . B 56 VAL N . 30480 1 784 . 2 2 35 35 TYR H H 1 8.675 0.008 . . . . . . B 57 TYR H . 30480 1 785 . 2 2 35 35 TYR HA H 1 4.557 0.013 . . . . . . B 57 TYR HA . 30480 1 786 . 2 2 35 35 TYR HB2 H 1 2.581 0.007 . . . . . . B 57 TYR HB2 . 30480 1 787 . 2 2 35 35 TYR HB3 H 1 2.581 0.007 . . . . . . B 57 TYR HB3 . 30480 1 788 . 2 2 35 35 TYR HD1 H 1 6.034 0.009 . . . . . . B 57 TYR HD1 . 30480 1 789 . 2 2 35 35 TYR HD2 H 1 6.034 0.009 . . . . . . B 57 TYR HD2 . 30480 1 790 . 2 2 35 35 TYR HE1 H 1 6.372 0.005 . . . . . . B 57 TYR HE1 . 30480 1 791 . 2 2 35 35 TYR HE2 H 1 6.372 0.005 . . . . . . B 57 TYR HE2 . 30480 1 792 . 2 2 35 35 TYR C C 13 175.530 0.008 . . . . . . B 57 TYR C . 30480 1 793 . 2 2 35 35 TYR CA C 13 57.477 0.029 . . . . . . B 57 TYR CA . 30480 1 794 . 2 2 35 35 TYR CB C 13 39.828 0.029 . . . . . . B 57 TYR CB . 30480 1 795 . 2 2 35 35 TYR CD2 C 13 132.774 0.041 . . . . . . B 57 TYR CD2 . 30480 1 796 . 2 2 35 35 TYR CE1 C 13 117.363 0.042 . . . . . . B 57 TYR CE1 . 30480 1 797 . 2 2 35 35 TYR N N 15 126.622 0.042 . . . . . . B 57 TYR N . 30480 1 798 . 2 2 36 36 LYS H H 1 8.034 0.008 . . . . . . B 58 LYS H . 30480 1 799 . 2 2 36 36 LYS HA H 1 4.679 0.011 . . . . . . B 58 LYS HA . 30480 1 800 . 2 2 36 36 LYS HB2 H 1 1.681 0.008 . . . . . . B 58 LYS HB2 . 30480 1 801 . 2 2 36 36 LYS HB3 H 1 1.386 0.006 . . . . . . B 58 LYS HB3 . 30480 1 802 . 2 2 36 36 LYS HG2 H 1 1.294 0.003 . . . . . . B 58 LYS HG2 . 30480 1 803 . 2 2 36 36 LYS HG3 H 1 1.141 0.010 . . . . . . B 58 LYS HG3 . 30480 1 804 . 2 2 36 36 LYS HD2 H 1 1.905 0.006 . . . . . . B 58 LYS HD2 . 30480 1 805 . 2 2 36 36 LYS HD3 H 1 1.678 0.005 . . . . . . B 58 LYS HD3 . 30480 1 806 . 2 2 36 36 LYS HE2 H 1 2.777 0.009 . . . . . . B 58 LYS HE2 . 30480 1 807 . 2 2 36 36 LYS HE3 H 1 2.777 0.009 . . . . . . B 58 LYS HE3 . 30480 1 808 . 2 2 36 36 LYS C C 13 173.873 0.000 . . . . . . B 58 LYS C . 30480 1 809 . 2 2 36 36 LYS CA C 13 51.128 0.000 . . . . . . B 58 LYS CA . 30480 1 810 . 2 2 36 36 LYS CB C 13 36.035 0.041 . . . . . . B 58 LYS CB . 30480 1 811 . 2 2 36 36 LYS CG C 13 25.889 0.079 . . . . . . B 58 LYS CG . 30480 1 812 . 2 2 36 36 LYS CD C 13 28.398 0.060 . . . . . . B 58 LYS CD . 30480 1 813 . 2 2 36 36 LYS N N 15 126.628 0.045 . . . . . . B 58 LYS N . 30480 1 814 . 2 2 37 37 PRO HA H 1 4.252 0.003 . . . . . . B 59 PRO HA . 30480 1 815 . 2 2 37 37 PRO HB2 H 1 2.335 0.005 . . . . . . B 59 PRO HB2 . 30480 1 816 . 2 2 37 37 PRO HB3 H 1 2.222 0.004 . . . . . . B 59 PRO HB3 . 30480 1 817 . 2 2 37 37 PRO HG2 H 1 2.190 0.004 . . . . . . B 59 PRO HG2 . 30480 1 818 . 2 2 37 37 PRO HG3 H 1 2.046 0.009 . . . . . . B 59 PRO HG3 . 30480 1 819 . 2 2 37 37 PRO HD2 H 1 3.653 0.007 . . . . . . B 59 PRO HD2 . 30480 1 820 . 2 2 37 37 PRO HD3 H 1 3.536 0.006 . . . . . . B 59 PRO HD3 . 30480 1 821 . 2 2 37 37 PRO C C 13 174.389 0.013 . . . . . . B 59 PRO C . 30480 1 822 . 2 2 37 37 PRO CA C 13 63.550 0.060 . . . . . . B 59 PRO CA . 30480 1 823 . 2 2 37 37 PRO CB C 13 32.228 0.039 . . . . . . B 59 PRO CB . 30480 1 824 . 2 2 37 37 PRO CG C 13 27.085 0.046 . . . . . . B 59 PRO CG . 30480 1 825 . 2 2 37 37 PRO CD C 13 50.560 0.063 . . . . . . B 59 PRO CD . 30480 1 826 . 2 2 38 38 PHE H H 1 6.995 0.008 . . . . . . B 60 PHE H . 30480 1 827 . 2 2 38 38 PHE HA H 1 5.174 0.009 . . . . . . B 60 PHE HA . 30480 1 828 . 2 2 38 38 PHE HB2 H 1 3.130 0.009 . . . . . . B 60 PHE HB2 . 30480 1 829 . 2 2 38 38 PHE HB3 H 1 3.014 0.009 . . . . . . B 60 PHE HB3 . 30480 1 830 . 2 2 38 38 PHE HD1 H 1 6.935 0.004 . . . . . . B 60 PHE HD1 . 30480 1 831 . 2 2 38 38 PHE HD2 H 1 6.935 0.004 . . . . . . B 60 PHE HD2 . 30480 1 832 . 2 2 38 38 PHE HE1 H 1 7.379 0.006 . . . . . . B 60 PHE HE1 . 30480 1 833 . 2 2 38 38 PHE HE2 H 1 7.379 0.006 . . . . . . B 60 PHE HE2 . 30480 1 834 . 2 2 38 38 PHE C C 13 172.446 0.005 . . . . . . B 60 PHE C . 30480 1 835 . 2 2 38 38 PHE CA C 13 55.856 0.021 . . . . . . B 60 PHE CA . 30480 1 836 . 2 2 38 38 PHE CB C 13 40.803 0.041 . . . . . . B 60 PHE CB . 30480 1 837 . 2 2 38 38 PHE CD1 C 13 132.521 0.041 . . . . . . B 60 PHE CD1 . 30480 1 838 . 2 2 38 38 PHE CE1 C 13 131.159 0.011 . . . . . . B 60 PHE CE1 . 30480 1 839 . 2 2 38 38 PHE N N 15 111.661 0.029 . . . . . . B 60 PHE N . 30480 1 840 . 2 2 39 39 TYR H H 1 8.531 0.007 . . . . . . B 61 TYR H . 30480 1 841 . 2 2 39 39 TYR HA H 1 4.794 0.006 . . . . . . B 61 TYR HA . 30480 1 842 . 2 2 39 39 TYR HB2 H 1 2.810 0.007 . . . . . . B 61 TYR HB2 . 30480 1 843 . 2 2 39 39 TYR HB3 H 1 2.892 0.003 . . . . . . B 61 TYR HB3 . 30480 1 844 . 2 2 39 39 TYR HD1 H 1 7.003 0.006 . . . . . . B 61 TYR HD1 . 30480 1 845 . 2 2 39 39 TYR HD2 H 1 7.003 0.006 . . . . . . B 61 TYR HD2 . 30480 1 846 . 2 2 39 39 TYR HE1 H 1 6.498 0.003 . . . . . . B 61 TYR HE1 . 30480 1 847 . 2 2 39 39 TYR HE2 H 1 6.498 0.003 . . . . . . B 61 TYR HE2 . 30480 1 848 . 2 2 39 39 TYR C C 13 172.575 0.014 . . . . . . B 61 TYR C . 30480 1 849 . 2 2 39 39 TYR CA C 13 56.260 0.026 . . . . . . B 61 TYR CA . 30480 1 850 . 2 2 39 39 TYR CB C 13 38.870 0.021 . . . . . . B 61 TYR CB . 30480 1 851 . 2 2 39 39 TYR CD2 C 13 134.781 0.045 . . . . . . B 61 TYR CD2 . 30480 1 852 . 2 2 39 39 TYR CE1 C 13 117.464 0.045 . . . . . . B 61 TYR CE1 . 30480 1 853 . 2 2 39 39 TYR N N 15 114.281 0.017 . . . . . . B 61 TYR N . 30480 1 854 . 2 2 40 40 HIS H H 1 9.786 0.006 . . . . . . B 62 HIS H . 30480 1 855 . 2 2 40 40 HIS HA H 1 5.179 0.009 . . . . . . B 62 HIS HA . 30480 1 856 . 2 2 40 40 HIS HB2 H 1 3.193 0.012 . . . . . . B 62 HIS HB2 . 30480 1 857 . 2 2 40 40 HIS HB3 H 1 2.936 0.010 . . . . . . B 62 HIS HB3 . 30480 1 858 . 2 2 40 40 HIS HD2 H 1 6.714 0.008 . . . . . . B 62 HIS HD2 . 30480 1 859 . 2 2 40 40 HIS CA C 13 56.249 0.052 . . . . . . B 62 HIS CA . 30480 1 860 . 2 2 40 40 HIS CB C 13 30.473 0.025 . . . . . . B 62 HIS CB . 30480 1 861 . 2 2 40 40 HIS CD2 C 13 123.133 0.048 . . . . . . B 62 HIS CD2 . 30480 1 862 . 2 2 40 40 HIS N N 15 117.330 0.040 . . . . . . B 62 HIS N . 30480 1 863 . 2 2 41 41 HIS H H 1 9.614 0.008 . . . . . . B 63 HIS H . 30480 1 864 . 2 2 41 41 HIS HA H 1 5.626 0.010 . . . . . . B 63 HIS HA . 30480 1 865 . 2 2 41 41 HIS HB2 H 1 2.809 0.009 . . . . . . B 63 HIS HB2 . 30480 1 866 . 2 2 41 41 HIS HB3 H 1 3.514 0.011 . . . . . . B 63 HIS HB3 . 30480 1 867 . 2 2 41 41 HIS HD2 H 1 6.890 0.009 . . . . . . B 63 HIS HD2 . 30480 1 868 . 2 2 41 41 HIS CA C 13 52.769 0.043 . . . . . . B 63 HIS CA . 30480 1 869 . 2 2 41 41 HIS CB C 13 33.007 0.047 . . . . . . B 63 HIS CB . 30480 1 870 . 2 2 41 41 HIS CD2 C 13 115.576 0.076 . . . . . . B 63 HIS CD2 . 30480 1 871 . 2 2 41 41 HIS N N 15 123.794 0.030 . . . . . . B 63 HIS N . 30480 1 872 . 2 2 42 42 ILE H H 1 9.518 0.008 . . . . . . B 64 ILE H . 30480 1 873 . 2 2 42 42 ILE HA H 1 4.922 0.008 . . . . . . B 64 ILE HA . 30480 1 874 . 2 2 42 42 ILE HB H 1 1.626 0.010 . . . . . . B 64 ILE HB . 30480 1 875 . 2 2 42 42 ILE HG12 H 1 1.708 0.007 . . . . . . B 64 ILE HG12 . 30480 1 876 . 2 2 42 42 ILE HG13 H 1 0.814 0.010 . . . . . . B 64 ILE HG13 . 30480 1 877 . 2 2 42 42 ILE HG21 H 1 0.254 0.005 . . . . . . B 64 ILE HG21 . 30480 1 878 . 2 2 42 42 ILE HG22 H 1 0.254 0.005 . . . . . . B 64 ILE HG22 . 30480 1 879 . 2 2 42 42 ILE HG23 H 1 0.254 0.005 . . . . . . B 64 ILE HG23 . 30480 1 880 . 2 2 42 42 ILE HD11 H 1 0.864 0.008 . . . . . . B 64 ILE HD11 . 30480 1 881 . 2 2 42 42 ILE HD12 H 1 0.864 0.008 . . . . . . B 64 ILE HD12 . 30480 1 882 . 2 2 42 42 ILE HD13 H 1 0.864 0.008 . . . . . . B 64 ILE HD13 . 30480 1 883 . 2 2 42 42 ILE C C 13 174.843 0.006 . . . . . . B 64 ILE C . 30480 1 884 . 2 2 42 42 ILE CA C 13 60.152 0.027 . . . . . . B 64 ILE CA . 30480 1 885 . 2 2 42 42 ILE CB C 13 39.922 0.030 . . . . . . B 64 ILE CB . 30480 1 886 . 2 2 42 42 ILE CG1 C 13 28.256 0.048 . . . . . . B 64 ILE CG1 . 30480 1 887 . 2 2 42 42 ILE CG2 C 13 18.474 0.028 . . . . . . B 64 ILE CG2 . 30480 1 888 . 2 2 42 42 ILE CD1 C 13 14.273 0.019 . . . . . . B 64 ILE CD1 . 30480 1 889 . 2 2 42 42 ILE N N 15 128.152 0.034 . . . . . . B 64 ILE N . 30480 1 890 . 2 2 43 43 ILE H H 1 8.091 0.007 . . . . . . B 65 ILE H . 30480 1 891 . 2 2 43 43 ILE HA H 1 4.592 0.009 . . . . . . B 65 ILE HA . 30480 1 892 . 2 2 43 43 ILE HB H 1 1.529 0.007 . . . . . . B 65 ILE HB . 30480 1 893 . 2 2 43 43 ILE HG12 H 1 1.038 0.009 . . . . . . B 65 ILE HG12 . 30480 1 894 . 2 2 43 43 ILE HG13 H 1 0.731 0.007 . . . . . . B 65 ILE HG13 . 30480 1 895 . 2 2 43 43 ILE HG21 H 1 1.043 0.008 . . . . . . B 65 ILE HG21 . 30480 1 896 . 2 2 43 43 ILE HG22 H 1 1.043 0.008 . . . . . . B 65 ILE HG22 . 30480 1 897 . 2 2 43 43 ILE HG23 H 1 1.043 0.008 . . . . . . B 65 ILE HG23 . 30480 1 898 . 2 2 43 43 ILE HD11 H 1 0.190 0.007 . . . . . . B 65 ILE HD11 . 30480 1 899 . 2 2 43 43 ILE HD12 H 1 0.190 0.007 . . . . . . B 65 ILE HD12 . 30480 1 900 . 2 2 43 43 ILE HD13 H 1 0.190 0.007 . . . . . . B 65 ILE HD13 . 30480 1 901 . 2 2 43 43 ILE C C 13 175.328 0.018 . . . . . . B 65 ILE C . 30480 1 902 . 2 2 43 43 ILE CA C 13 60.657 0.018 . . . . . . B 65 ILE CA . 30480 1 903 . 2 2 43 43 ILE CB C 13 41.320 0.044 . . . . . . B 65 ILE CB . 30480 1 904 . 2 2 43 43 ILE CG1 C 13 27.370 0.026 . . . . . . B 65 ILE CG1 . 30480 1 905 . 2 2 43 43 ILE CG2 C 13 17.158 0.040 . . . . . . B 65 ILE CG2 . 30480 1 906 . 2 2 43 43 ILE CD1 C 13 12.895 0.036 . . . . . . B 65 ILE CD1 . 30480 1 907 . 2 2 43 43 ILE N N 15 124.598 0.044 . . . . . . B 65 ILE N . 30480 1 908 . 2 2 44 44 PHE H H 1 8.794 0.009 . . . . . . B 66 PHE H . 30480 1 909 . 2 2 44 44 PHE HA H 1 5.502 0.010 . . . . . . B 66 PHE HA . 30480 1 910 . 2 2 44 44 PHE HB2 H 1 3.157 0.020 . . . . . . B 66 PHE HB2 . 30480 1 911 . 2 2 44 44 PHE HB3 H 1 3.182 0.017 . . . . . . B 66 PHE HB3 . 30480 1 912 . 2 2 44 44 PHE HD1 H 1 7.023 0.008 . . . . . . B 66 PHE HD1 . 30480 1 913 . 2 2 44 44 PHE HD2 H 1 7.023 0.008 . . . . . . B 66 PHE HD2 . 30480 1 914 . 2 2 44 44 PHE HE1 H 1 6.893 0.007 . . . . . . B 66 PHE HE1 . 30480 1 915 . 2 2 44 44 PHE HE2 H 1 6.893 0.007 . . . . . . B 66 PHE HE2 . 30480 1 916 . 2 2 44 44 PHE C C 13 177.655 0.018 . . . . . . B 66 PHE C . 30480 1 917 . 2 2 44 44 PHE CA C 13 57.067 0.012 . . . . . . B 66 PHE CA . 30480 1 918 . 2 2 44 44 PHE CB C 13 41.937 0.022 . . . . . . B 66 PHE CB . 30480 1 919 . 2 2 44 44 PHE CD1 C 13 132.495 0.034 . . . . . . B 66 PHE CD1 . 30480 1 920 . 2 2 44 44 PHE CE2 C 13 130.510 0.044 . . . . . . B 66 PHE CE2 . 30480 1 921 . 2 2 44 44 PHE N N 15 125.393 0.052 . . . . . . B 66 PHE N . 30480 1 922 . 2 2 45 45 ASP H H 1 9.186 0.007 . . . . . . B 67 ASP H . 30480 1 923 . 2 2 45 45 ASP HA H 1 4.320 0.007 . . . . . . B 67 ASP HA . 30480 1 924 . 2 2 45 45 ASP HB2 H 1 3.077 0.004 . . . . . . B 67 ASP HB2 . 30480 1 925 . 2 2 45 45 ASP HB3 H 1 2.570 0.010 . . . . . . B 67 ASP HB3 . 30480 1 926 . 2 2 45 45 ASP C C 13 175.901 0.005 . . . . . . B 67 ASP C . 30480 1 927 . 2 2 45 45 ASP CA C 13 56.060 0.022 . . . . . . B 67 ASP CA . 30480 1 928 . 2 2 45 45 ASP CB C 13 40.414 0.035 . . . . . . B 67 ASP CB . 30480 1 929 . 2 2 45 45 ASP N N 15 121.203 0.030 . . . . . . B 67 ASP N . 30480 1 930 . 2 2 46 46 ASP H H 1 7.948 0.010 . . . . . . B 68 ASP H . 30480 1 931 . 2 2 46 46 ASP HA H 1 4.731 0.007 . . . . . . B 68 ASP HA . 30480 1 932 . 2 2 46 46 ASP HB2 H 1 2.765 0.009 . . . . . . B 68 ASP HB2 . 30480 1 933 . 2 2 46 46 ASP HB3 H 1 3.138 0.007 . . . . . . B 68 ASP HB3 . 30480 1 934 . 2 2 46 46 ASP C C 13 177.311 0.003 . . . . . . B 68 ASP C . 30480 1 935 . 2 2 46 46 ASP CA C 13 53.000 0.114 . . . . . . B 68 ASP CA . 30480 1 936 . 2 2 46 46 ASP CB C 13 40.006 0.030 . . . . . . B 68 ASP CB . 30480 1 937 . 2 2 46 46 ASP N N 15 118.671 0.057 . . . . . . B 68 ASP N . 30480 1 938 . 2 2 47 47 GLY H H 1 8.311 0.006 . . . . . . B 69 GLY H . 30480 1 939 . 2 2 47 47 GLY HA2 H 1 4.401 0.009 . . . . . . B 69 GLY HA2 . 30480 1 940 . 2 2 47 47 GLY HA3 H 1 3.789 0.012 . . . . . . B 69 GLY HA3 . 30480 1 941 . 2 2 47 47 GLY C C 13 174.700 0.015 . . . . . . B 69 GLY C . 30480 1 942 . 2 2 47 47 GLY CA C 13 45.176 0.027 . . . . . . B 69 GLY CA . 30480 1 943 . 2 2 47 47 GLY N N 15 109.153 0.016 . . . . . . B 69 GLY N . 30480 1 944 . 2 2 48 48 SER H H 1 8.227 0.007 . . . . . . B 70 SER H . 30480 1 945 . 2 2 48 48 SER HA H 1 4.636 0.009 . . . . . . B 70 SER HA . 30480 1 946 . 2 2 48 48 SER HB2 H 1 3.971 0.011 . . . . . . B 70 SER HB2 . 30480 1 947 . 2 2 48 48 SER HB3 H 1 4.145 0.012 . . . . . . B 70 SER HB3 . 30480 1 948 . 2 2 48 48 SER C C 13 172.116 0.011 . . . . . . B 70 SER C . 30480 1 949 . 2 2 48 48 SER CA C 13 59.611 0.000 . . . . . . B 70 SER CA . 30480 1 950 . 2 2 48 48 SER CB C 13 64.591 0.040 . . . . . . B 70 SER CB . 30480 1 951 . 2 2 48 48 SER N N 15 117.663 0.065 . . . . . . B 70 SER N . 30480 1 952 . 2 2 49 49 GLU H H 1 8.460 0.007 . . . . . . B 71 GLU H . 30480 1 953 . 2 2 49 49 GLU HA H 1 5.734 0.009 . . . . . . B 71 GLU HA . 30480 1 954 . 2 2 49 49 GLU HB2 H 1 2.234 0.012 . . . . . . B 71 GLU HB2 . 30480 1 955 . 2 2 49 49 GLU HB3 H 1 2.093 0.012 . . . . . . B 71 GLU HB3 . 30480 1 956 . 2 2 49 49 GLU HG2 H 1 2.452 0.007 . . . . . . B 71 GLU HG2 . 30480 1 957 . 2 2 49 49 GLU HG3 H 1 2.235 0.006 . . . . . . B 71 GLU HG3 . 30480 1 958 . 2 2 49 49 GLU C C 13 174.773 0.010 . . . . . . B 71 GLU C . 30480 1 959 . 2 2 49 49 GLU CA C 13 54.238 0.021 . . . . . . B 71 GLU CA . 30480 1 960 . 2 2 49 49 GLU CB C 13 34.787 0.058 . . . . . . B 71 GLU CB . 30480 1 961 . 2 2 49 49 GLU CG C 13 34.979 0.032 . . . . . . B 71 GLU CG . 30480 1 962 . 2 2 49 49 GLU N N 15 115.861 0.047 . . . . . . B 71 GLU N . 30480 1 963 . 2 2 50 50 ILE H H 1 9.356 0.010 . . . . . . B 72 ILE H . 30480 1 964 . 2 2 50 50 ILE HA H 1 4.901 0.009 . . . . . . B 72 ILE HA . 30480 1 965 . 2 2 50 50 ILE HB H 1 1.998 0.004 . . . . . . B 72 ILE HB . 30480 1 966 . 2 2 50 50 ILE HG12 H 1 1.700 0.008 . . . . . . B 72 ILE HG12 . 30480 1 967 . 2 2 50 50 ILE HG13 H 1 1.593 0.011 . . . . . . B 72 ILE HG13 . 30480 1 968 . 2 2 50 50 ILE HG21 H 1 1.072 0.011 . . . . . . B 72 ILE HG21 . 30480 1 969 . 2 2 50 50 ILE HG22 H 1 1.072 0.011 . . . . . . B 72 ILE HG22 . 30480 1 970 . 2 2 50 50 ILE HG23 H 1 1.072 0.011 . . . . . . B 72 ILE HG23 . 30480 1 971 . 2 2 50 50 ILE HD11 H 1 1.098 0.008 . . . . . . B 72 ILE HD11 . 30480 1 972 . 2 2 50 50 ILE HD12 H 1 1.098 0.008 . . . . . . B 72 ILE HD12 . 30480 1 973 . 2 2 50 50 ILE HD13 H 1 1.098 0.008 . . . . . . B 72 ILE HD13 . 30480 1 974 . 2 2 50 50 ILE C C 13 173.404 0.010 . . . . . . B 72 ILE C . 30480 1 975 . 2 2 50 50 ILE CA C 13 58.783 0.053 . . . . . . B 72 ILE CA . 30480 1 976 . 2 2 50 50 ILE CB C 13 42.357 0.068 . . . . . . B 72 ILE CB . 30480 1 977 . 2 2 50 50 ILE CG1 C 13 28.327 0.087 . . . . . . B 72 ILE CG1 . 30480 1 978 . 2 2 50 50 ILE CG2 C 13 18.369 0.044 . . . . . . B 72 ILE CG2 . 30480 1 979 . 2 2 50 50 ILE CD1 C 13 12.433 0.042 . . . . . . B 72 ILE CD1 . 30480 1 980 . 2 2 50 50 ILE N N 15 119.289 0.051 . . . . . . B 72 ILE N . 30480 1 981 . 2 2 51 51 LYS H H 1 9.058 0.008 . . . . . . B 73 LYS H . 30480 1 982 . 2 2 51 51 LYS HA H 1 6.053 0.008 . . . . . . B 73 LYS HA . 30480 1 983 . 2 2 51 51 LYS HB2 H 1 1.424 0.008 . . . . . . B 73 LYS HB2 . 30480 1 984 . 2 2 51 51 LYS HB3 H 1 2.033 0.005 . . . . . . B 73 LYS HB3 . 30480 1 985 . 2 2 51 51 LYS HG2 H 1 1.270 0.008 . . . . . . B 73 LYS HG2 . 30480 1 986 . 2 2 51 51 LYS HG3 H 1 1.270 0.008 . . . . . . B 73 LYS HG3 . 30480 1 987 . 2 2 51 51 LYS HD2 H 1 1.411 0.008 . . . . . . B 73 LYS HD2 . 30480 1 988 . 2 2 51 51 LYS HD3 H 1 1.325 0.012 . . . . . . B 73 LYS HD3 . 30480 1 989 . 2 2 51 51 LYS HE2 H 1 2.703 0.003 . . . . . . B 73 LYS HE2 . 30480 1 990 . 2 2 51 51 LYS HE3 H 1 2.382 0.004 . . . . . . B 73 LYS HE3 . 30480 1 991 . 2 2 51 51 LYS C C 13 176.032 0.007 . . . . . . B 73 LYS C . 30480 1 992 . 2 2 51 51 LYS CA C 13 54.829 0.021 . . . . . . B 73 LYS CA . 30480 1 993 . 2 2 51 51 LYS CB C 13 32.838 0.033 . . . . . . B 73 LYS CB . 30480 1 994 . 2 2 51 51 LYS CG C 13 26.396 0.045 . . . . . . B 73 LYS CG . 30480 1 995 . 2 2 51 51 LYS CD C 13 29.165 0.015 . . . . . . B 73 LYS CD . 30480 1 996 . 2 2 51 51 LYS CE C 13 41.351 0.030 . . . . . . B 73 LYS CE . 30480 1 997 . 2 2 51 51 LYS N N 15 127.716 0.044 . . . . . . B 73 LYS N . 30480 1 998 . 2 2 52 52 CYS H H 1 9.426 0.006 . . . . . . B 74 CYS H . 30480 1 999 . 2 2 52 52 CYS HA H 1 5.525 0.009 . . . . . . B 74 CYS HA . 30480 1 1000 . 2 2 52 52 CYS HB2 H 1 2.568 0.015 . . . . . . B 74 CYS HB2 . 30480 1 1001 . 2 2 52 52 CYS HB3 H 1 3.107 0.006 . . . . . . B 74 CYS HB3 . 30480 1 1002 . 2 2 52 52 CYS C C 13 172.146 0.012 . . . . . . B 74 CYS C . 30480 1 1003 . 2 2 52 52 CYS CA C 13 55.342 0.017 . . . . . . B 74 CYS CA . 30480 1 1004 . 2 2 52 52 CYS CB C 13 33.381 0.070 . . . . . . B 74 CYS CB . 30480 1 1005 . 2 2 52 52 CYS N N 15 116.698 0.038 . . . . . . B 74 CYS N . 30480 1 1006 . 2 2 53 53 SER H H 1 8.770 0.007 . . . . . . B 75 SER H . 30480 1 1007 . 2 2 53 53 SER HA H 1 4.587 0.010 . . . . . . B 75 SER HA . 30480 1 1008 . 2 2 53 53 SER HB2 H 1 4.536 0.001 . . . . . . B 75 SER HB2 . 30480 1 1009 . 2 2 53 53 SER HB3 H 1 3.809 0.010 . . . . . . B 75 SER HB3 . 30480 1 1010 . 2 2 53 53 SER C C 13 175.070 0.003 . . . . . . B 75 SER C . 30480 1 1011 . 2 2 53 53 SER CA C 13 58.288 0.003 . . . . . . B 75 SER CA . 30480 1 1012 . 2 2 53 53 SER CB C 13 64.537 0.066 . . . . . . B 75 SER CB . 30480 1 1013 . 2 2 53 53 SER N N 15 114.297 0.062 . . . . . . B 75 SER N . 30480 1 1014 . 2 2 54 54 ASP H H 1 9.101 0.008 . . . . . . B 76 ASP H . 30480 1 1015 . 2 2 54 54 ASP HA H 1 4.100 0.009 . . . . . . B 76 ASP HA . 30480 1 1016 . 2 2 54 54 ASP HB2 H 1 2.835 0.009 . . . . . . B 76 ASP HB2 . 30480 1 1017 . 2 2 54 54 ASP HB3 H 1 3.076 0.012 . . . . . . B 76 ASP HB3 . 30480 1 1018 . 2 2 54 54 ASP C C 13 175.285 0.034 . . . . . . B 76 ASP C . 30480 1 1019 . 2 2 54 54 ASP CA C 13 57.326 0.013 . . . . . . B 76 ASP CA . 30480 1 1020 . 2 2 54 54 ASP CB C 13 40.927 0.015 . . . . . . B 76 ASP CB . 30480 1 1021 . 2 2 54 54 ASP N N 15 118.688 0.013 . . . . . . B 76 ASP N . 30480 1 1022 . 2 2 55 55 ASN H H 1 7.789 0.009 . . . . . . B 77 ASN H . 30480 1 1023 . 2 2 55 55 ASN HA H 1 5.002 0.007 . . . . . . B 77 ASN HA . 30480 1 1024 . 2 2 55 55 ASN HB2 H 1 2.802 0.010 . . . . . . B 77 ASN HB2 . 30480 1 1025 . 2 2 55 55 ASN HB3 H 1 2.550 0.009 . . . . . . B 77 ASN HB3 . 30480 1 1026 . 2 2 55 55 ASN C C 13 175.068 0.006 . . . . . . B 77 ASN C . 30480 1 1027 . 2 2 55 55 ASN CA C 13 51.852 0.042 . . . . . . B 77 ASN CA . 30480 1 1028 . 2 2 55 55 ASN CB C 13 38.771 0.058 . . . . . . B 77 ASN CB . 30480 1 1029 . 2 2 55 55 ASN N N 15 113.210 0.033 . . . . . . B 77 ASN N . 30480 1 1030 . 2 2 56 56 HIS H H 1 7.462 0.006 . . . . . . B 78 HIS H . 30480 1 1031 . 2 2 56 56 HIS HA H 1 4.140 0.012 . . . . . . B 78 HIS HA . 30480 1 1032 . 2 2 56 56 HIS HB2 H 1 3.344 0.007 . . . . . . B 78 HIS HB2 . 30480 1 1033 . 2 2 56 56 HIS HB3 H 1 3.104 0.013 . . . . . . B 78 HIS HB3 . 30480 1 1034 . 2 2 56 56 HIS HD2 H 1 7.111 0.000 . . . . . . B 78 HIS HD2 . 30480 1 1035 . 2 2 56 56 HIS CA C 13 58.474 0.000 . . . . . . B 78 HIS CA . 30480 1 1036 . 2 2 56 56 HIS CB C 13 29.477 0.052 . . . . . . B 78 HIS CB . 30480 1 1037 . 2 2 56 56 HIS CD2 C 13 119.956 0.000 . . . . . . B 78 HIS CD2 . 30480 1 1038 . 2 2 56 56 HIS N N 15 120.948 0.025 . . . . . . B 78 HIS N . 30480 1 1039 . 2 2 57 57 SER HA H 1 4.980 0.005 . . . . . . B 79 SER HA . 30480 1 1040 . 2 2 57 57 SER HB2 H 1 3.077 0.004 . . . . . . B 79 SER HB2 . 30480 1 1041 . 2 2 57 57 SER HB3 H 1 3.155 0.004 . . . . . . B 79 SER HB3 . 30480 1 1042 . 2 2 57 57 SER C C 13 172.363 0.003 . . . . . . B 79 SER C . 30480 1 1043 . 2 2 57 57 SER CA C 13 56.675 0.035 . . . . . . B 79 SER CA . 30480 1 1044 . 2 2 57 57 SER CB C 13 66.879 0.036 . . . . . . B 79 SER CB . 30480 1 1045 . 2 2 58 58 PHE H H 1 8.726 0.007 . . . . . . B 80 PHE H . 30480 1 1046 . 2 2 58 58 PHE HA H 1 4.946 0.006 . . . . . . B 80 PHE HA . 30480 1 1047 . 2 2 58 58 PHE HB2 H 1 3.093 0.009 . . . . . . B 80 PHE HB2 . 30480 1 1048 . 2 2 58 58 PHE HB3 H 1 2.775 0.009 . . . . . . B 80 PHE HB3 . 30480 1 1049 . 2 2 58 58 PHE HD1 H 1 7.372 0.009 . . . . . . B 80 PHE HD1 . 30480 1 1050 . 2 2 58 58 PHE HD2 H 1 7.372 0.009 . . . . . . B 80 PHE HD2 . 30480 1 1051 . 2 2 58 58 PHE HE1 H 1 7.086 0.010 . . . . . . B 80 PHE HE1 . 30480 1 1052 . 2 2 58 58 PHE HE2 H 1 7.086 0.010 . . . . . . B 80 PHE HE2 . 30480 1 1053 . 2 2 58 58 PHE C C 13 177.415 0.005 . . . . . . B 80 PHE C . 30480 1 1054 . 2 2 58 58 PHE CA C 13 57.594 0.014 . . . . . . B 80 PHE CA . 30480 1 1055 . 2 2 58 58 PHE CB C 13 42.784 0.077 . . . . . . B 80 PHE CB . 30480 1 1056 . 2 2 58 58 PHE CD1 C 13 133.650 0.054 . . . . . . B 80 PHE CD1 . 30480 1 1057 . 2 2 58 58 PHE CE2 C 13 130.006 0.051 . . . . . . B 80 PHE CE2 . 30480 1 1058 . 2 2 58 58 PHE N N 15 117.821 0.046 . . . . . . B 80 PHE N . 30480 1 1059 . 2 2 59 59 GLY H H 1 7.791 0.009 . . . . . . B 81 GLY H . 30480 1 1060 . 2 2 59 59 GLY HA2 H 1 4.488 0.009 . . . . . . B 81 GLY HA2 . 30480 1 1061 . 2 2 59 59 GLY HA3 H 1 3.575 0.007 . . . . . . B 81 GLY HA3 . 30480 1 1062 . 2 2 59 59 GLY C C 13 172.848 0.000 . . . . . . B 81 GLY C . 30480 1 1063 . 2 2 59 59 GLY CA C 13 44.973 0.024 . . . . . . B 81 GLY CA . 30480 1 1064 . 2 2 59 59 GLY N N 15 105.326 0.041 . . . . . . B 81 GLY N . 30480 1 1065 . 2 2 60 60 LYS HA H 1 4.131 0.009 . . . . . . B 82 LYS HA . 30480 1 1066 . 2 2 60 60 LYS HB2 H 1 1.876 0.008 . . . . . . B 82 LYS HB2 . 30480 1 1067 . 2 2 60 60 LYS HB3 H 1 1.795 0.005 . . . . . . B 82 LYS HB3 . 30480 1 1068 . 2 2 60 60 LYS HG2 H 1 1.504 0.008 . . . . . . B 82 LYS HG2 . 30480 1 1069 . 2 2 60 60 LYS HG3 H 1 1.504 0.008 . . . . . . B 82 LYS HG3 . 30480 1 1070 . 2 2 60 60 LYS HE2 H 1 3.008 0.000 . . . . . . B 82 LYS HE2 . 30480 1 1071 . 2 2 60 60 LYS HE3 H 1 3.008 0.000 . . . . . . B 82 LYS HE3 . 30480 1 1072 . 2 2 60 60 LYS C C 13 177.761 0.025 . . . . . . B 82 LYS C . 30480 1 1073 . 2 2 60 60 LYS CA C 13 58.851 0.029 . . . . . . B 82 LYS CA . 30480 1 1074 . 2 2 60 60 LYS CB C 13 32.396 0.061 . . . . . . B 82 LYS CB . 30480 1 1075 . 2 2 60 60 LYS CG C 13 24.563 0.000 . . . . . . B 82 LYS CG . 30480 1 1076 . 2 2 60 60 LYS CE C 13 42.201 0.000 . . . . . . B 82 LYS CE . 30480 1 1077 . 2 2 61 61 ASP H H 1 8.703 0.002 . . . . . . B 83 ASP H . 30480 1 1078 . 2 2 61 61 ASP HA H 1 4.490 0.007 . . . . . . B 83 ASP HA . 30480 1 1079 . 2 2 61 61 ASP HB2 H 1 2.800 0.009 . . . . . . B 83 ASP HB2 . 30480 1 1080 . 2 2 61 61 ASP HB3 H 1 2.551 0.006 . . . . . . B 83 ASP HB3 . 30480 1 1081 . 2 2 61 61 ASP C C 13 174.998 0.005 . . . . . . B 83 ASP C . 30480 1 1082 . 2 2 61 61 ASP CA C 13 54.491 0.011 . . . . . . B 83 ASP CA . 30480 1 1083 . 2 2 61 61 ASP CB C 13 40.274 0.082 . . . . . . B 83 ASP CB . 30480 1 1084 . 2 2 61 61 ASP N N 15 114.695 0.081 . . . . . . B 83 ASP N . 30480 1 1085 . 2 2 62 62 LYS H H 1 7.773 0.004 . . . . . . B 84 LYS H . 30480 1 1086 . 2 2 62 62 LYS HA H 1 3.182 0.008 . . . . . . B 84 LYS HA . 30480 1 1087 . 2 2 62 62 LYS HB2 H 1 1.477 0.013 . . . . . . B 84 LYS HB2 . 30480 1 1088 . 2 2 62 62 LYS HB3 H 1 1.816 0.010 . . . . . . B 84 LYS HB3 . 30480 1 1089 . 2 2 62 62 LYS HG2 H 1 0.578 0.008 . . . . . . B 84 LYS HG2 . 30480 1 1090 . 2 2 62 62 LYS HG3 H 1 1.079 0.010 . . . . . . B 84 LYS HG3 . 30480 1 1091 . 2 2 62 62 LYS HD2 H 1 1.255 0.005 . . . . . . B 84 LYS HD2 . 30480 1 1092 . 2 2 62 62 LYS HD3 H 1 1.195 0.002 . . . . . . B 84 LYS HD3 . 30480 1 1093 . 2 2 62 62 LYS HE3 H 1 2.546 0.007 . . . . . . B 84 LYS HE3 . 30480 1 1094 . 2 2 62 62 LYS C C 13 175.004 0.003 . . . . . . B 84 LYS C . 30480 1 1095 . 2 2 62 62 LYS CA C 13 57.736 0.016 . . . . . . B 84 LYS CA . 30480 1 1096 . 2 2 62 62 LYS CB C 13 28.903 0.042 . . . . . . B 84 LYS CB . 30480 1 1097 . 2 2 62 62 LYS CG C 13 25.002 0.042 . . . . . . B 84 LYS CG . 30480 1 1098 . 2 2 62 62 LYS CD C 13 29.259 0.085 . . . . . . B 84 LYS CD . 30480 1 1099 . 2 2 62 62 LYS N N 15 117.354 0.036 . . . . . . B 84 LYS N . 30480 1 1100 . 2 2 63 63 ILE H H 1 8.396 0.007 . . . . . . B 85 ILE H . 30480 1 1101 . 2 2 63 63 ILE HA H 1 3.989 0.009 . . . . . . B 85 ILE HA . 30480 1 1102 . 2 2 63 63 ILE HB H 1 1.919 0.008 . . . . . . B 85 ILE HB . 30480 1 1103 . 2 2 63 63 ILE HG12 H 1 1.325 0.009 . . . . . . B 85 ILE HG12 . 30480 1 1104 . 2 2 63 63 ILE HG13 H 1 1.543 0.009 . . . . . . B 85 ILE HG13 . 30480 1 1105 . 2 2 63 63 ILE HG21 H 1 0.904 0.009 . . . . . . B 85 ILE HG21 . 30480 1 1106 . 2 2 63 63 ILE HG22 H 1 0.904 0.009 . . . . . . B 85 ILE HG22 . 30480 1 1107 . 2 2 63 63 ILE HG23 H 1 0.904 0.009 . . . . . . B 85 ILE HG23 . 30480 1 1108 . 2 2 63 63 ILE HD11 H 1 0.889 0.006 . . . . . . B 85 ILE HD11 . 30480 1 1109 . 2 2 63 63 ILE HD12 H 1 0.889 0.006 . . . . . . B 85 ILE HD12 . 30480 1 1110 . 2 2 63 63 ILE HD13 H 1 0.889 0.006 . . . . . . B 85 ILE HD13 . 30480 1 1111 . 2 2 63 63 ILE C C 13 177.331 0.004 . . . . . . B 85 ILE C . 30480 1 1112 . 2 2 63 63 ILE CA C 13 60.860 0.017 . . . . . . B 85 ILE CA . 30480 1 1113 . 2 2 63 63 ILE CB C 13 38.204 0.038 . . . . . . B 85 ILE CB . 30480 1 1114 . 2 2 63 63 ILE CG1 C 13 27.612 0.034 . . . . . . B 85 ILE CG1 . 30480 1 1115 . 2 2 63 63 ILE CG2 C 13 17.563 0.019 . . . . . . B 85 ILE CG2 . 30480 1 1116 . 2 2 63 63 ILE CD1 C 13 11.919 0.039 . . . . . . B 85 ILE CD1 . 30480 1 1117 . 2 2 63 63 ILE N N 15 121.396 0.055 . . . . . . B 85 ILE N . 30480 1 1118 . 2 2 64 64 LYS H H 1 8.528 0.009 . . . . . . B 86 LYS H . 30480 1 1119 . 2 2 64 64 LYS HA H 1 4.547 0.010 . . . . . . B 86 LYS HA . 30480 1 1120 . 2 2 64 64 LYS HB2 H 1 1.850 0.007 . . . . . . B 86 LYS HB2 . 30480 1 1121 . 2 2 64 64 LYS HB3 H 1 1.850 0.007 . . . . . . B 86 LYS HB3 . 30480 1 1122 . 2 2 64 64 LYS HG2 H 1 1.572 0.009 . . . . . . B 86 LYS HG2 . 30480 1 1123 . 2 2 64 64 LYS HG3 H 1 1.388 0.007 . . . . . . B 86 LYS HG3 . 30480 1 1124 . 2 2 64 64 LYS HE2 H 1 2.982 0.000 . . . . . . B 86 LYS HE2 . 30480 1 1125 . 2 2 64 64 LYS HE3 H 1 2.982 0.000 . . . . . . B 86 LYS HE3 . 30480 1 1126 . 2 2 64 64 LYS C C 13 179.898 0.007 . . . . . . B 86 LYS C . 30480 1 1127 . 2 2 64 64 LYS CA C 13 56.413 0.032 . . . . . . B 86 LYS CA . 30480 1 1128 . 2 2 64 64 LYS CB C 13 34.087 0.055 . . . . . . B 86 LYS CB . 30480 1 1129 . 2 2 64 64 LYS CG C 13 25.443 0.012 . . . . . . B 86 LYS CG . 30480 1 1130 . 2 2 64 64 LYS CE C 13 42.186 0.000 . . . . . . B 86 LYS CE . 30480 1 1131 . 2 2 64 64 LYS N N 15 128.029 0.024 . . . . . . B 86 LYS N . 30480 1 1132 . 2 2 65 65 ALA H H 1 8.850 0.009 . . . . . . B 87 ALA H . 30480 1 1133 . 2 2 65 65 ALA HA H 1 3.990 0.011 . . . . . . B 87 ALA HA . 30480 1 1134 . 2 2 65 65 ALA HB1 H 1 1.339 0.011 . . . . . . B 87 ALA HB1 . 30480 1 1135 . 2 2 65 65 ALA HB2 H 1 1.339 0.011 . . . . . . B 87 ALA HB2 . 30480 1 1136 . 2 2 65 65 ALA HB3 H 1 1.339 0.011 . . . . . . B 87 ALA HB3 . 30480 1 1137 . 2 2 65 65 ALA C C 13 178.211 0.002 . . . . . . B 87 ALA C . 30480 1 1138 . 2 2 65 65 ALA CA C 13 56.031 0.006 . . . . . . B 87 ALA CA . 30480 1 1139 . 2 2 65 65 ALA CB C 13 19.095 0.013 . . . . . . B 87 ALA CB . 30480 1 1140 . 2 2 65 65 ALA N N 15 126.451 0.062 . . . . . . B 87 ALA N . 30480 1 1141 . 2 2 66 66 SER H H 1 7.926 0.010 . . . . . . B 88 SER H . 30480 1 1142 . 2 2 66 66 SER HA H 1 3.828 0.014 . . . . . . B 88 SER HA . 30480 1 1143 . 2 2 66 66 SER HB2 H 1 4.083 0.005 . . . . . . B 88 SER HB2 . 30480 1 1144 . 2 2 66 66 SER HB3 H 1 3.910 0.004 . . . . . . B 88 SER HB3 . 30480 1 1145 . 2 2 66 66 SER C C 13 175.684 0.004 . . . . . . B 88 SER C . 30480 1 1146 . 2 2 66 66 SER CA C 13 59.812 0.009 . . . . . . B 88 SER CA . 30480 1 1147 . 2 2 66 66 SER CB C 13 62.884 0.045 . . . . . . B 88 SER CB . 30480 1 1148 . 2 2 66 66 SER N N 15 107.810 0.046 . . . . . . B 88 SER N . 30480 1 1149 . 2 2 67 67 THR H H 1 7.868 0.005 . . . . . . B 89 THR H . 30480 1 1150 . 2 2 67 67 THR HA H 1 4.474 0.006 . . . . . . B 89 THR HA . 30480 1 1151 . 2 2 67 67 THR HB H 1 4.448 0.005 . . . . . . B 89 THR HB . 30480 1 1152 . 2 2 67 67 THR HG21 H 1 1.258 0.007 . . . . . . B 89 THR HG21 . 30480 1 1153 . 2 2 67 67 THR HG22 H 1 1.258 0.007 . . . . . . B 89 THR HG22 . 30480 1 1154 . 2 2 67 67 THR HG23 H 1 1.258 0.007 . . . . . . B 89 THR HG23 . 30480 1 1155 . 2 2 67 67 THR C C 13 174.275 0.012 . . . . . . B 89 THR C . 30480 1 1156 . 2 2 67 67 THR CA C 13 61.942 0.029 . . . . . . B 89 THR CA . 30480 1 1157 . 2 2 67 67 THR CB C 13 70.271 0.013 . . . . . . B 89 THR CB . 30480 1 1158 . 2 2 67 67 THR CG2 C 13 22.098 0.019 . . . . . . B 89 THR CG2 . 30480 1 1159 . 2 2 67 67 THR N N 15 111.533 0.045 . . . . . . B 89 THR N . 30480 1 1160 . 2 2 68 68 ILE H H 1 7.013 0.009 . . . . . . B 90 ILE H . 30480 1 1161 . 2 2 68 68 ILE HA H 1 3.945 0.007 . . . . . . B 90 ILE HA . 30480 1 1162 . 2 2 68 68 ILE HB H 1 1.738 0.012 . . . . . . B 90 ILE HB . 30480 1 1163 . 2 2 68 68 ILE HG12 H 1 1.823 0.009 . . . . . . B 90 ILE HG12 . 30480 1 1164 . 2 2 68 68 ILE HG13 H 1 1.076 0.011 . . . . . . B 90 ILE HG13 . 30480 1 1165 . 2 2 68 68 ILE HG21 H 1 0.882 0.008 . . . . . . B 90 ILE HG21 . 30480 1 1166 . 2 2 68 68 ILE HG22 H 1 0.882 0.008 . . . . . . B 90 ILE HG22 . 30480 1 1167 . 2 2 68 68 ILE HG23 H 1 0.882 0.008 . . . . . . B 90 ILE HG23 . 30480 1 1168 . 2 2 68 68 ILE HD11 H 1 0.840 0.007 . . . . . . B 90 ILE HD11 . 30480 1 1169 . 2 2 68 68 ILE HD12 H 1 0.840 0.007 . . . . . . B 90 ILE HD12 . 30480 1 1170 . 2 2 68 68 ILE HD13 H 1 0.840 0.007 . . . . . . B 90 ILE HD13 . 30480 1 1171 . 2 2 68 68 ILE C C 13 175.804 0.010 . . . . . . B 90 ILE C . 30480 1 1172 . 2 2 68 68 ILE CA C 13 62.608 0.048 . . . . . . B 90 ILE CA . 30480 1 1173 . 2 2 68 68 ILE CB C 13 38.287 0.020 . . . . . . B 90 ILE CB . 30480 1 1174 . 2 2 68 68 ILE CG1 C 13 27.537 0.037 . . . . . . B 90 ILE CG1 . 30480 1 1175 . 2 2 68 68 ILE CG2 C 13 19.105 0.037 . . . . . . B 90 ILE CG2 . 30480 1 1176 . 2 2 68 68 ILE CD1 C 13 14.818 0.021 . . . . . . B 90 ILE CD1 . 30480 1 1177 . 2 2 68 68 ILE N N 15 123.263 0.029 . . . . . . B 90 ILE N . 30480 1 1178 . 2 2 69 69 LYS H H 1 8.911 0.007 . . . . . . B 91 LYS H . 30480 1 1179 . 2 2 69 69 LYS HA H 1 4.632 0.013 . . . . . . B 91 LYS HA . 30480 1 1180 . 2 2 69 69 LYS HB2 H 1 1.746 0.010 . . . . . . B 91 LYS HB2 . 30480 1 1181 . 2 2 69 69 LYS HB3 H 1 1.746 0.010 . . . . . . B 91 LYS HB3 . 30480 1 1182 . 2 2 69 69 LYS HG2 H 1 1.528 0.015 . . . . . . B 91 LYS HG2 . 30480 1 1183 . 2 2 69 69 LYS HG3 H 1 1.470 0.016 . . . . . . B 91 LYS HG3 . 30480 1 1184 . 2 2 69 69 LYS HD2 H 1 1.724 0.001 . . . . . . B 91 LYS HD2 . 30480 1 1185 . 2 2 69 69 LYS HD3 H 1 1.724 0.001 . . . . . . B 91 LYS HD3 . 30480 1 1186 . 2 2 69 69 LYS HE2 H 1 3.084 0.003 . . . . . . B 91 LYS HE2 . 30480 1 1187 . 2 2 69 69 LYS HE3 H 1 3.084 0.003 . . . . . . B 91 LYS HE3 . 30480 1 1188 . 2 2 69 69 LYS C C 13 176.387 0.011 . . . . . . B 91 LYS C . 30480 1 1189 . 2 2 69 69 LYS CA C 13 54.075 0.000 . . . . . . B 91 LYS CA . 30480 1 1190 . 2 2 69 69 LYS CB C 13 34.186 0.042 . . . . . . B 91 LYS CB . 30480 1 1191 . 2 2 69 69 LYS CG C 13 24.372 0.030 . . . . . . B 91 LYS CG . 30480 1 1192 . 2 2 69 69 LYS CD C 13 28.704 0.000 . . . . . . B 91 LYS CD . 30480 1 1193 . 2 2 69 69 LYS CE C 13 41.954 0.006 . . . . . . B 91 LYS CE . 30480 1 1194 . 2 2 69 69 LYS N N 15 130.832 0.048 . . . . . . B 91 LYS N . 30480 1 1195 . 2 2 70 70 VAL H H 1 8.265 0.011 . . . . . . B 92 VAL H . 30480 1 1196 . 2 2 70 70 VAL HA H 1 3.211 0.009 . . . . . . B 92 VAL HA . 30480 1 1197 . 2 2 70 70 VAL HB H 1 1.818 0.003 . . . . . . B 92 VAL HB . 30480 1 1198 . 2 2 70 70 VAL HG11 H 1 0.879 0.012 . . . . . . B 92 VAL HG11 . 30480 1 1199 . 2 2 70 70 VAL HG12 H 1 0.879 0.012 . . . . . . B 92 VAL HG12 . 30480 1 1200 . 2 2 70 70 VAL HG13 H 1 0.879 0.012 . . . . . . B 92 VAL HG13 . 30480 1 1201 . 2 2 70 70 VAL HG21 H 1 0.838 0.010 . . . . . . B 92 VAL HG21 . 30480 1 1202 . 2 2 70 70 VAL HG22 H 1 0.838 0.010 . . . . . . B 92 VAL HG22 . 30480 1 1203 . 2 2 70 70 VAL HG23 H 1 0.838 0.010 . . . . . . B 92 VAL HG23 . 30480 1 1204 . 2 2 70 70 VAL C C 13 177.743 0.016 . . . . . . B 92 VAL C . 30480 1 1205 . 2 2 70 70 VAL CA C 13 65.504 0.022 . . . . . . B 92 VAL CA . 30480 1 1206 . 2 2 70 70 VAL CB C 13 31.233 0.042 . . . . . . B 92 VAL CB . 30480 1 1207 . 2 2 70 70 VAL CG1 C 13 22.633 0.013 . . . . . . B 92 VAL CG1 . 30480 1 1208 . 2 2 70 70 VAL CG2 C 13 21.037 0.020 . . . . . . B 92 VAL CG2 . 30480 1 1209 . 2 2 70 70 VAL N N 15 120.391 0.013 . . . . . . B 92 VAL N . 30480 1 1210 . 2 2 71 71 GLY H H 1 9.026 0.010 . . . . . . B 93 GLY H . 30480 1 1211 . 2 2 71 71 GLY HA2 H 1 4.446 0.011 . . . . . . B 93 GLY HA2 . 30480 1 1212 . 2 2 71 71 GLY HA3 H 1 3.272 0.015 . . . . . . B 93 GLY HA3 . 30480 1 1213 . 2 2 71 71 GLY C C 13 174.050 0.038 . . . . . . B 93 GLY C . 30480 1 1214 . 2 2 71 71 GLY CA C 13 44.858 0.024 . . . . . . B 93 GLY CA . 30480 1 1215 . 2 2 71 71 GLY N N 15 117.220 0.023 . . . . . . B 93 GLY N . 30480 1 1216 . 2 2 72 72 ASP H H 1 7.985 0.009 . . . . . . B 94 ASP H . 30480 1 1217 . 2 2 72 72 ASP HA H 1 4.686 0.007 . . . . . . B 94 ASP HA . 30480 1 1218 . 2 2 72 72 ASP HB2 H 1 2.612 0.011 . . . . . . B 94 ASP HB2 . 30480 1 1219 . 2 2 72 72 ASP HB3 H 1 2.969 0.008 . . . . . . B 94 ASP HB3 . 30480 1 1220 . 2 2 72 72 ASP C C 13 174.549 0.012 . . . . . . B 94 ASP C . 30480 1 1221 . 2 2 72 72 ASP CA C 13 54.584 0.000 . . . . . . B 94 ASP CA . 30480 1 1222 . 2 2 72 72 ASP CB C 13 41.437 0.018 . . . . . . B 94 ASP CB . 30480 1 1223 . 2 2 72 72 ASP N N 15 120.825 0.142 . . . . . . B 94 ASP N . 30480 1 1224 . 2 2 73 73 TYR H H 1 8.500 0.012 . . . . . . B 95 TYR H . 30480 1 1225 . 2 2 73 73 TYR HA H 1 5.202 0.009 . . . . . . B 95 TYR HA . 30480 1 1226 . 2 2 73 73 TYR HB2 H 1 2.826 0.013 . . . . . . B 95 TYR HB2 . 30480 1 1227 . 2 2 73 73 TYR HB3 H 1 2.572 0.006 . . . . . . B 95 TYR HB3 . 30480 1 1228 . 2 2 73 73 TYR HD1 H 1 6.888 0.009 . . . . . . B 95 TYR HD1 . 30480 1 1229 . 2 2 73 73 TYR HD2 H 1 6.888 0.009 . . . . . . B 95 TYR HD2 . 30480 1 1230 . 2 2 73 73 TYR C C 13 176.267 0.005 . . . . . . B 95 TYR C . 30480 1 1231 . 2 2 73 73 TYR CA C 13 57.204 0.044 . . . . . . B 95 TYR CA . 30480 1 1232 . 2 2 73 73 TYR CB C 13 41.074 0.031 . . . . . . B 95 TYR CB . 30480 1 1233 . 2 2 73 73 TYR CD1 C 13 133.217 0.133 . . . . . . B 95 TYR CD1 . 30480 1 1234 . 2 2 73 73 TYR N N 15 116.522 0.029 . . . . . . B 95 TYR N . 30480 1 1235 . 2 2 74 74 LEU H H 1 9.331 0.008 . . . . . . B 96 LEU H . 30480 1 1236 . 2 2 74 74 LEU HA H 1 4.555 0.011 . . . . . . B 96 LEU HA . 30480 1 1237 . 2 2 74 74 LEU HB2 H 1 1.824 0.011 . . . . . . B 96 LEU HB2 . 30480 1 1238 . 2 2 74 74 LEU HB3 H 1 1.133 0.011 . . . . . . B 96 LEU HB3 . 30480 1 1239 . 2 2 74 74 LEU HG H 1 1.202 0.007 . . . . . . B 96 LEU HG . 30480 1 1240 . 2 2 74 74 LEU HD11 H 1 0.836 0.010 . . . . . . B 96 LEU HD11 . 30480 1 1241 . 2 2 74 74 LEU HD12 H 1 0.836 0.010 . . . . . . B 96 LEU HD12 . 30480 1 1242 . 2 2 74 74 LEU HD13 H 1 0.836 0.010 . . . . . . B 96 LEU HD13 . 30480 1 1243 . 2 2 74 74 LEU HD21 H 1 0.365 0.004 . . . . . . B 96 LEU HD21 . 30480 1 1244 . 2 2 74 74 LEU HD22 H 1 0.365 0.004 . . . . . . B 96 LEU HD22 . 30480 1 1245 . 2 2 74 74 LEU HD23 H 1 0.365 0.004 . . . . . . B 96 LEU HD23 . 30480 1 1246 . 2 2 74 74 LEU C C 13 174.863 0.002 . . . . . . B 96 LEU C . 30480 1 1247 . 2 2 74 74 LEU CA C 13 54.038 0.064 . . . . . . B 96 LEU CA . 30480 1 1248 . 2 2 74 74 LEU CB C 13 44.764 0.017 . . . . . . B 96 LEU CB . 30480 1 1249 . 2 2 74 74 LEU CG C 13 27.610 0.102 . . . . . . B 96 LEU CG . 30480 1 1250 . 2 2 74 74 LEU CD1 C 13 24.133 0.030 . . . . . . B 96 LEU CD1 . 30480 1 1251 . 2 2 74 74 LEU CD2 C 13 25.461 0.033 . . . . . . B 96 LEU CD2 . 30480 1 1252 . 2 2 74 74 LEU N N 15 125.064 0.042 . . . . . . B 96 LEU N . 30480 1 1253 . 2 2 75 75 GLN H H 1 9.281 0.007 . . . . . . B 97 GLN H . 30480 1 1254 . 2 2 75 75 GLN HA H 1 3.780 0.008 . . . . . . B 97 GLN HA . 30480 1 1255 . 2 2 75 75 GLN HB2 H 1 1.810 0.006 . . . . . . B 97 GLN HB2 . 30480 1 1256 . 2 2 75 75 GLN HB3 H 1 2.340 0.009 . . . . . . B 97 GLN HB3 . 30480 1 1257 . 2 2 75 75 GLN HG2 H 1 2.317 0.009 . . . . . . B 97 GLN HG2 . 30480 1 1258 . 2 2 75 75 GLN HG3 H 1 2.580 0.008 . . . . . . B 97 GLN HG3 . 30480 1 1259 . 2 2 75 75 GLN HE21 H 1 7.944 0.003 . . . . . . B 97 GLN HE21 . 30480 1 1260 . 2 2 75 75 GLN HE22 H 1 7.330 0.005 . . . . . . B 97 GLN HE22 . 30480 1 1261 . 2 2 75 75 GLN C C 13 175.786 0.010 . . . . . . B 97 GLN C . 30480 1 1262 . 2 2 75 75 GLN CA C 13 56.528 0.022 . . . . . . B 97 GLN CA . 30480 1 1263 . 2 2 75 75 GLN CB C 13 26.068 0.025 . . . . . . B 97 GLN CB . 30480 1 1264 . 2 2 75 75 GLN CG C 13 34.357 0.078 . . . . . . B 97 GLN CG . 30480 1 1265 . 2 2 75 75 GLN N N 15 123.302 0.039 . . . . . . B 97 GLN N . 30480 1 1266 . 2 2 75 75 GLN NE2 N 15 109.579 0.063 . . . . . . B 97 GLN NE2 . 30480 1 1267 . 2 2 76 76 GLY H H 1 8.399 0.007 . . . . . . B 98 GLY H . 30480 1 1268 . 2 2 76 76 GLY HA2 H 1 4.229 0.015 . . . . . . B 98 GLY HA2 . 30480 1 1269 . 2 2 76 76 GLY HA3 H 1 3.617 0.009 . . . . . . B 98 GLY HA3 . 30480 1 1270 . 2 2 76 76 GLY C C 13 173.956 0.018 . . . . . . B 98 GLY C . 30480 1 1271 . 2 2 76 76 GLY CA C 13 45.272 0.017 . . . . . . B 98 GLY CA . 30480 1 1272 . 2 2 76 76 GLY N N 15 102.311 0.062 . . . . . . B 98 GLY N . 30480 1 1273 . 2 2 77 77 LYS H H 1 7.999 0.009 . . . . . . B 99 LYS H . 30480 1 1274 . 2 2 77 77 LYS HA H 1 4.650 0.013 . . . . . . B 99 LYS HA . 30480 1 1275 . 2 2 77 77 LYS HB2 H 1 1.574 0.010 . . . . . . B 99 LYS HB2 . 30480 1 1276 . 2 2 77 77 LYS HB3 H 1 1.716 0.009 . . . . . . B 99 LYS HB3 . 30480 1 1277 . 2 2 77 77 LYS HG2 H 1 1.182 0.012 . . . . . . B 99 LYS HG2 . 30480 1 1278 . 2 2 77 77 LYS HG3 H 1 1.182 0.012 . . . . . . B 99 LYS HG3 . 30480 1 1279 . 2 2 77 77 LYS HD2 H 1 1.183 0.008 . . . . . . B 99 LYS HD2 . 30480 1 1280 . 2 2 77 77 LYS HD3 H 1 0.810 0.008 . . . . . . B 99 LYS HD3 . 30480 1 1281 . 2 2 77 77 LYS HE2 H 1 2.637 0.005 . . . . . . B 99 LYS HE2 . 30480 1 1282 . 2 2 77 77 LYS HE3 H 1 2.637 0.005 . . . . . . B 99 LYS HE3 . 30480 1 1283 . 2 2 77 77 LYS C C 13 174.575 0.017 . . . . . . B 99 LYS C . 30480 1 1284 . 2 2 77 77 LYS CA C 13 55.403 0.000 . . . . . . B 99 LYS CA . 30480 1 1285 . 2 2 77 77 LYS CB C 13 34.660 0.090 . . . . . . B 99 LYS CB . 30480 1 1286 . 2 2 77 77 LYS CG C 13 24.755 0.056 . . . . . . B 99 LYS CG . 30480 1 1287 . 2 2 77 77 LYS CD C 13 29.129 0.036 . . . . . . B 99 LYS CD . 30480 1 1288 . 2 2 77 77 LYS CE C 13 42.245 0.035 . . . . . . B 99 LYS CE . 30480 1 1289 . 2 2 77 77 LYS N N 15 121.649 0.080 . . . . . . B 99 LYS N . 30480 1 1290 . 2 2 78 78 LYS H H 1 8.451 0.008 . . . . . . B 100 LYS H . 30480 1 1291 . 2 2 78 78 LYS HA H 1 4.036 0.009 . . . . . . B 100 LYS HA . 30480 1 1292 . 2 2 78 78 LYS HB2 H 1 1.418 0.006 . . . . . . B 100 LYS HB2 . 30480 1 1293 . 2 2 78 78 LYS HB3 H 1 1.225 0.007 . . . . . . B 100 LYS HB3 . 30480 1 1294 . 2 2 78 78 LYS HG2 H 1 0.563 0.011 . . . . . . B 100 LYS HG2 . 30480 1 1295 . 2 2 78 78 LYS HG3 H 1 0.874 0.010 . . . . . . B 100 LYS HG3 . 30480 1 1296 . 2 2 78 78 LYS HD2 H 1 1.515 0.010 . . . . . . B 100 LYS HD2 . 30480 1 1297 . 2 2 78 78 LYS HD3 H 1 1.515 0.010 . . . . . . B 100 LYS HD3 . 30480 1 1298 . 2 2 78 78 LYS HE2 H 1 2.840 0.005 . . . . . . B 100 LYS HE2 . 30480 1 1299 . 2 2 78 78 LYS HE3 H 1 2.840 0.005 . . . . . . B 100 LYS HE3 . 30480 1 1300 . 2 2 78 78 LYS C C 13 176.329 0.014 . . . . . . B 100 LYS C . 30480 1 1301 . 2 2 78 78 LYS CA C 13 55.769 0.038 . . . . . . B 100 LYS CA . 30480 1 1302 . 2 2 78 78 LYS CB C 13 34.234 0.042 . . . . . . B 100 LYS CB . 30480 1 1303 . 2 2 78 78 LYS CG C 13 25.035 0.056 . . . . . . B 100 LYS CG . 30480 1 1304 . 2 2 78 78 LYS CD C 13 29.610 0.042 . . . . . . B 100 LYS CD . 30480 1 1305 . 2 2 78 78 LYS N N 15 125.085 0.039 . . . . . . B 100 LYS N . 30480 1 1306 . 2 2 79 79 VAL H H 1 8.803 0.009 . . . . . . B 101 VAL H . 30480 1 1307 . 2 2 79 79 VAL HA H 1 3.663 0.009 . . . . . . B 101 VAL HA . 30480 1 1308 . 2 2 79 79 VAL HB H 1 2.107 0.009 . . . . . . B 101 VAL HB . 30480 1 1309 . 2 2 79 79 VAL HG11 H 1 0.789 0.008 . . . . . . B 101 VAL HG11 . 30480 1 1310 . 2 2 79 79 VAL HG12 H 1 0.789 0.008 . . . . . . B 101 VAL HG12 . 30480 1 1311 . 2 2 79 79 VAL HG13 H 1 0.789 0.008 . . . . . . B 101 VAL HG13 . 30480 1 1312 . 2 2 79 79 VAL HG21 H 1 0.529 0.008 . . . . . . B 101 VAL HG21 . 30480 1 1313 . 2 2 79 79 VAL HG22 H 1 0.529 0.008 . . . . . . B 101 VAL HG22 . 30480 1 1314 . 2 2 79 79 VAL HG23 H 1 0.529 0.008 . . . . . . B 101 VAL HG23 . 30480 1 1315 . 2 2 79 79 VAL C C 13 176.310 0.004 . . . . . . B 101 VAL C . 30480 1 1316 . 2 2 79 79 VAL CA C 13 63.839 0.023 . . . . . . B 101 VAL CA . 30480 1 1317 . 2 2 79 79 VAL CB C 13 31.857 0.040 . . . . . . B 101 VAL CB . 30480 1 1318 . 2 2 79 79 VAL CG1 C 13 21.588 0.038 . . . . . . B 101 VAL CG1 . 30480 1 1319 . 2 2 79 79 VAL CG2 C 13 21.571 0.021 . . . . . . B 101 VAL CG2 . 30480 1 1320 . 2 2 79 79 VAL N N 15 126.927 0.034 . . . . . . B 101 VAL N . 30480 1 1321 . 2 2 80 80 LEU H H 1 9.089 0.007 . . . . . . B 102 LEU H . 30480 1 1322 . 2 2 80 80 LEU HA H 1 4.352 0.007 . . . . . . B 102 LEU HA . 30480 1 1323 . 2 2 80 80 LEU HB2 H 1 1.332 0.013 . . . . . . B 102 LEU HB2 . 30480 1 1324 . 2 2 80 80 LEU HB3 H 1 1.367 0.010 . . . . . . B 102 LEU HB3 . 30480 1 1325 . 2 2 80 80 LEU HD11 H 1 0.877 0.006 . . . . . . B 102 LEU HD11 . 30480 1 1326 . 2 2 80 80 LEU HD12 H 1 0.877 0.006 . . . . . . B 102 LEU HD12 . 30480 1 1327 . 2 2 80 80 LEU HD13 H 1 0.877 0.006 . . . . . . B 102 LEU HD13 . 30480 1 1328 . 2 2 80 80 LEU HD21 H 1 0.765 0.009 . . . . . . B 102 LEU HD21 . 30480 1 1329 . 2 2 80 80 LEU HD22 H 1 0.765 0.009 . . . . . . B 102 LEU HD22 . 30480 1 1330 . 2 2 80 80 LEU HD23 H 1 0.765 0.009 . . . . . . B 102 LEU HD23 . 30480 1 1331 . 2 2 80 80 LEU C C 13 176.120 0.066 . . . . . . B 102 LEU C . 30480 1 1332 . 2 2 80 80 LEU CA C 13 55.355 0.027 . . . . . . B 102 LEU CA . 30480 1 1333 . 2 2 80 80 LEU CB C 13 43.634 0.022 . . . . . . B 102 LEU CB . 30480 1 1334 . 2 2 80 80 LEU CD1 C 13 25.920 0.036 . . . . . . B 102 LEU CD1 . 30480 1 1335 . 2 2 80 80 LEU CD2 C 13 22.422 0.015 . . . . . . B 102 LEU CD2 . 30480 1 1336 . 2 2 80 80 LEU N N 15 128.830 0.040 . . . . . . B 102 LEU N . 30480 1 1337 . 2 2 81 81 TYR H H 1 7.475 0.006 . . . . . . B 103 TYR H . 30480 1 1338 . 2 2 81 81 TYR HA H 1 4.484 0.009 . . . . . . B 103 TYR HA . 30480 1 1339 . 2 2 81 81 TYR HB2 H 1 2.626 0.008 . . . . . . B 103 TYR HB2 . 30480 1 1340 . 2 2 81 81 TYR HB3 H 1 2.751 0.009 . . . . . . B 103 TYR HB3 . 30480 1 1341 . 2 2 81 81 TYR HD1 H 1 6.964 0.010 . . . . . . B 103 TYR HD1 . 30480 1 1342 . 2 2 81 81 TYR HD2 H 1 6.964 0.010 . . . . . . B 103 TYR HD2 . 30480 1 1343 . 2 2 81 81 TYR HE1 H 1 6.679 0.005 . . . . . . B 103 TYR HE1 . 30480 1 1344 . 2 2 81 81 TYR HE2 H 1 6.679 0.005 . . . . . . B 103 TYR HE2 . 30480 1 1345 . 2 2 81 81 TYR C C 13 173.877 0.011 . . . . . . B 103 TYR C . 30480 1 1346 . 2 2 81 81 TYR CA C 13 57.409 0.028 . . . . . . B 103 TYR CA . 30480 1 1347 . 2 2 81 81 TYR CB C 13 42.977 0.035 . . . . . . B 103 TYR CB . 30480 1 1348 . 2 2 81 81 TYR CD2 C 13 133.795 0.041 . . . . . . B 103 TYR CD2 . 30480 1 1349 . 2 2 81 81 TYR CE1 C 13 118.212 0.044 . . . . . . B 103 TYR CE1 . 30480 1 1350 . 2 2 81 81 TYR N N 15 116.828 0.033 . . . . . . B 103 TYR N . 30480 1 1351 . 2 2 82 82 ASN H H 1 8.590 0.007 . . . . . . B 104 ASN H . 30480 1 1352 . 2 2 82 82 ASN HA H 1 5.043 0.008 . . . . . . B 104 ASN HA . 30480 1 1353 . 2 2 82 82 ASN HB2 H 1 2.836 0.008 . . . . . . B 104 ASN HB2 . 30480 1 1354 . 2 2 82 82 ASN HB3 H 1 2.270 0.007 . . . . . . B 104 ASN HB3 . 30480 1 1355 . 2 2 82 82 ASN HD21 H 1 6.393 0.009 . . . . . . B 104 ASN HD21 . 30480 1 1356 . 2 2 82 82 ASN HD22 H 1 7.770 0.006 . . . . . . B 104 ASN HD22 . 30480 1 1357 . 2 2 82 82 ASN C C 13 174.022 0.027 . . . . . . B 104 ASN C . 30480 1 1358 . 2 2 82 82 ASN CA C 13 52.972 0.030 . . . . . . B 104 ASN CA . 30480 1 1359 . 2 2 82 82 ASN CB C 13 37.317 0.031 . . . . . . B 104 ASN CB . 30480 1 1360 . 2 2 82 82 ASN N N 15 121.430 0.027 . . . . . . B 104 ASN N . 30480 1 1361 . 2 2 82 82 ASN ND2 N 15 107.223 0.057 . . . . . . B 104 ASN ND2 . 30480 1 1362 . 2 2 83 83 GLU H H 1 8.301 0.010 . . . . . . B 105 GLU H . 30480 1 1363 . 2 2 83 83 GLU HA H 1 4.489 0.008 . . . . . . B 105 GLU HA . 30480 1 1364 . 2 2 83 83 GLU HB2 H 1 1.940 0.009 . . . . . . B 105 GLU HB2 . 30480 1 1365 . 2 2 83 83 GLU HB3 H 1 1.662 0.011 . . . . . . B 105 GLU HB3 . 30480 1 1366 . 2 2 83 83 GLU HG2 H 1 2.094 0.006 . . . . . . B 105 GLU HG2 . 30480 1 1367 . 2 2 83 83 GLU HG3 H 1 1.827 0.005 . . . . . . B 105 GLU HG3 . 30480 1 1368 . 2 2 83 83 GLU C C 13 175.333 0.012 . . . . . . B 105 GLU C . 30480 1 1369 . 2 2 83 83 GLU CA C 13 53.993 0.049 . . . . . . B 105 GLU CA . 30480 1 1370 . 2 2 83 83 GLU CB C 13 32.968 0.049 . . . . . . B 105 GLU CB . 30480 1 1371 . 2 2 83 83 GLU CG C 13 35.683 0.021 . . . . . . B 105 GLU CG . 30480 1 1372 . 2 2 83 83 GLU N N 15 122.984 0.085 . . . . . . B 105 GLU N . 30480 1 1373 . 2 2 84 84 ILE H H 1 8.332 0.009 . . . . . . B 106 ILE H . 30480 1 1374 . 2 2 84 84 ILE HA H 1 3.966 0.010 . . . . . . B 106 ILE HA . 30480 1 1375 . 2 2 84 84 ILE HB H 1 1.453 0.006 . . . . . . B 106 ILE HB . 30480 1 1376 . 2 2 84 84 ILE HG12 H 1 1.104 0.006 . . . . . . B 106 ILE HG12 . 30480 1 1377 . 2 2 84 84 ILE HG13 H 1 0.175 0.008 . . . . . . B 106 ILE HG13 . 30480 1 1378 . 2 2 84 84 ILE HG21 H 1 0.454 0.007 . . . . . . B 106 ILE HG21 . 30480 1 1379 . 2 2 84 84 ILE HG22 H 1 0.454 0.007 . . . . . . B 106 ILE HG22 . 30480 1 1380 . 2 2 84 84 ILE HG23 H 1 0.454 0.007 . . . . . . B 106 ILE HG23 . 30480 1 1381 . 2 2 84 84 ILE HD11 H 1 0.592 0.010 . . . . . . B 106 ILE HD11 . 30480 1 1382 . 2 2 84 84 ILE HD12 H 1 0.592 0.010 . . . . . . B 106 ILE HD12 . 30480 1 1383 . 2 2 84 84 ILE HD13 H 1 0.592 0.010 . . . . . . B 106 ILE HD13 . 30480 1 1384 . 2 2 84 84 ILE C C 13 175.793 0.017 . . . . . . B 106 ILE C . 30480 1 1385 . 2 2 84 84 ILE CA C 13 61.310 0.028 . . . . . . B 106 ILE CA . 30480 1 1386 . 2 2 84 84 ILE CB C 13 38.085 0.035 . . . . . . B 106 ILE CB . 30480 1 1387 . 2 2 84 84 ILE CG1 C 13 27.981 0.060 . . . . . . B 106 ILE CG1 . 30480 1 1388 . 2 2 84 84 ILE CG2 C 13 17.629 0.033 . . . . . . B 106 ILE CG2 . 30480 1 1389 . 2 2 84 84 ILE CD1 C 13 13.326 0.039 . . . . . . B 106 ILE CD1 . 30480 1 1390 . 2 2 84 84 ILE N N 15 122.605 0.025 . . . . . . B 106 ILE N . 30480 1 1391 . 2 2 85 85 VAL H H 1 9.049 0.009 . . . . . . B 107 VAL H . 30480 1 1392 . 2 2 85 85 VAL HA H 1 3.843 0.007 . . . . . . B 107 VAL HA . 30480 1 1393 . 2 2 85 85 VAL HB H 1 0.563 0.003 . . . . . . B 107 VAL HB . 30480 1 1394 . 2 2 85 85 VAL HG11 H 1 0.639 0.009 . . . . . . B 107 VAL HG11 . 30480 1 1395 . 2 2 85 85 VAL HG12 H 1 0.639 0.009 . . . . . . B 107 VAL HG12 . 30480 1 1396 . 2 2 85 85 VAL HG13 H 1 0.639 0.009 . . . . . . B 107 VAL HG13 . 30480 1 1397 . 2 2 85 85 VAL HG21 H 1 0.711 0.008 . . . . . . B 107 VAL HG21 . 30480 1 1398 . 2 2 85 85 VAL HG22 H 1 0.711 0.008 . . . . . . B 107 VAL HG22 . 30480 1 1399 . 2 2 85 85 VAL HG23 H 1 0.711 0.008 . . . . . . B 107 VAL HG23 . 30480 1 1400 . 2 2 85 85 VAL C C 13 176.264 0.010 . . . . . . B 107 VAL C . 30480 1 1401 . 2 2 85 85 VAL CA C 13 61.707 0.014 . . . . . . B 107 VAL CA . 30480 1 1402 . 2 2 85 85 VAL CB C 13 31.433 0.014 . . . . . . B 107 VAL CB . 30480 1 1403 . 2 2 85 85 VAL CG1 C 13 20.748 0.015 . . . . . . B 107 VAL CG1 . 30480 1 1404 . 2 2 85 85 VAL CG2 C 13 21.162 0.026 . . . . . . B 107 VAL CG2 . 30480 1 1405 . 2 2 85 85 VAL N N 15 131.179 0.050 . . . . . . B 107 VAL N . 30480 1 1406 . 2 2 86 86 GLU H H 1 8.760 0.007 . . . . . . B 108 GLU H . 30480 1 1407 . 2 2 86 86 GLU HA H 1 4.461 0.007 . . . . . . B 108 GLU HA . 30480 1 1408 . 2 2 86 86 GLU HB2 H 1 1.822 0.007 . . . . . . B 108 GLU HB2 . 30480 1 1409 . 2 2 86 86 GLU HB3 H 1 2.111 0.008 . . . . . . B 108 GLU HB3 . 30480 1 1410 . 2 2 86 86 GLU HG2 H 1 2.115 0.006 . . . . . . B 108 GLU HG2 . 30480 1 1411 . 2 2 86 86 GLU HG3 H 1 1.937 0.007 . . . . . . B 108 GLU HG3 . 30480 1 1412 . 2 2 86 86 GLU C C 13 175.102 0.013 . . . . . . B 108 GLU C . 30480 1 1413 . 2 2 86 86 GLU CA C 13 55.243 0.023 . . . . . . B 108 GLU CA . 30480 1 1414 . 2 2 86 86 GLU CB C 13 27.566 0.015 . . . . . . B 108 GLU CB . 30480 1 1415 . 2 2 86 86 GLU CG C 13 36.471 0.042 . . . . . . B 108 GLU CG . 30480 1 1416 . 2 2 86 86 GLU N N 15 130.191 0.012 . . . . . . B 108 GLU N . 30480 1 1417 . 2 2 87 87 GLU H H 1 7.634 0.005 . . . . . . B 109 GLU H . 30480 1 1418 . 2 2 87 87 GLU HA H 1 4.423 0.006 . . . . . . B 109 GLU HA . 30480 1 1419 . 2 2 87 87 GLU HB2 H 1 2.008 0.007 . . . . . . B 109 GLU HB2 . 30480 1 1420 . 2 2 87 87 GLU HB3 H 1 1.854 0.009 . . . . . . B 109 GLU HB3 . 30480 1 1421 . 2 2 87 87 GLU HG2 H 1 2.237 0.015 . . . . . . B 109 GLU HG2 . 30480 1 1422 . 2 2 87 87 GLU HG3 H 1 2.288 0.010 . . . . . . B 109 GLU HG3 . 30480 1 1423 . 2 2 87 87 GLU C C 13 173.473 0.011 . . . . . . B 109 GLU C . 30480 1 1424 . 2 2 87 87 GLU CA C 13 55.182 0.015 . . . . . . B 109 GLU CA . 30480 1 1425 . 2 2 87 87 GLU CB C 13 33.515 0.035 . . . . . . B 109 GLU CB . 30480 1 1426 . 2 2 87 87 GLU CG C 13 36.242 0.027 . . . . . . B 109 GLU CG . 30480 1 1427 . 2 2 87 87 GLU N N 15 123.795 0.039 . . . . . . B 109 GLU N . 30480 1 1428 . 2 2 88 88 GLY H H 1 7.980 0.006 . . . . . . B 110 GLY H . 30480 1 1429 . 2 2 88 88 GLY HA2 H 1 3.650 0.009 . . . . . . B 110 GLY HA2 . 30480 1 1430 . 2 2 88 88 GLY HA3 H 1 4.280 0.009 . . . . . . B 110 GLY HA3 . 30480 1 1431 . 2 2 88 88 GLY C C 13 174.355 0.007 . . . . . . B 110 GLY C . 30480 1 1432 . 2 2 88 88 GLY CA C 13 45.445 0.044 . . . . . . B 110 GLY CA . 30480 1 1433 . 2 2 88 88 GLY N N 15 107.702 0.027 . . . . . . B 110 GLY N . 30480 1 1434 . 2 2 89 89 ILE H H 1 8.185 0.009 . . . . . . B 111 ILE H . 30480 1 1435 . 2 2 89 89 ILE HA H 1 4.374 0.006 . . . . . . B 111 ILE HA . 30480 1 1436 . 2 2 89 89 ILE HB H 1 1.545 0.009 . . . . . . B 111 ILE HB . 30480 1 1437 . 2 2 89 89 ILE HG12 H 1 0.821 0.008 . . . . . . B 111 ILE HG12 . 30480 1 1438 . 2 2 89 89 ILE HG13 H 1 1.309 0.007 . . . . . . B 111 ILE HG13 . 30480 1 1439 . 2 2 89 89 ILE HG21 H 1 0.436 0.008 . . . . . . B 111 ILE HG21 . 30480 1 1440 . 2 2 89 89 ILE HG22 H 1 0.436 0.008 . . . . . . B 111 ILE HG22 . 30480 1 1441 . 2 2 89 89 ILE HG23 H 1 0.436 0.008 . . . . . . B 111 ILE HG23 . 30480 1 1442 . 2 2 89 89 ILE HD11 H 1 0.049 0.011 . . . . . . B 111 ILE HD11 . 30480 1 1443 . 2 2 89 89 ILE HD12 H 1 0.049 0.011 . . . . . . B 111 ILE HD12 . 30480 1 1444 . 2 2 89 89 ILE HD13 H 1 0.049 0.011 . . . . . . B 111 ILE HD13 . 30480 1 1445 . 2 2 89 89 ILE C C 13 171.880 0.002 . . . . . . B 111 ILE C . 30480 1 1446 . 2 2 89 89 ILE CA C 13 60.123 0.026 . . . . . . B 111 ILE CA . 30480 1 1447 . 2 2 89 89 ILE CB C 13 42.193 0.035 . . . . . . B 111 ILE CB . 30480 1 1448 . 2 2 89 89 ILE CG1 C 13 27.566 0.034 . . . . . . B 111 ILE CG1 . 30480 1 1449 . 2 2 89 89 ILE CG2 C 13 15.279 0.033 . . . . . . B 111 ILE CG2 . 30480 1 1450 . 2 2 89 89 ILE CD1 C 13 12.908 0.029 . . . . . . B 111 ILE CD1 . 30480 1 1451 . 2 2 89 89 ILE N N 15 123.057 0.066 . . . . . . B 111 ILE N . 30480 1 1452 . 2 2 90 90 TYR H H 1 7.947 0.008 . . . . . . B 112 TYR H . 30480 1 1453 . 2 2 90 90 TYR HA H 1 4.905 0.008 . . . . . . B 112 TYR HA . 30480 1 1454 . 2 2 90 90 TYR HB2 H 1 2.763 0.008 . . . . . . B 112 TYR HB2 . 30480 1 1455 . 2 2 90 90 TYR HB3 H 1 2.252 0.006 . . . . . . B 112 TYR HB3 . 30480 1 1456 . 2 2 90 90 TYR HD1 H 1 6.990 0.010 . . . . . . B 112 TYR HD1 . 30480 1 1457 . 2 2 90 90 TYR HD2 H 1 6.990 0.010 . . . . . . B 112 TYR HD2 . 30480 1 1458 . 2 2 90 90 TYR C C 13 174.195 0.016 . . . . . . B 112 TYR C . 30480 1 1459 . 2 2 90 90 TYR CA C 13 58.499 0.035 . . . . . . B 112 TYR CA . 30480 1 1460 . 2 2 90 90 TYR CB C 13 38.913 0.023 . . . . . . B 112 TYR CB . 30480 1 1461 . 2 2 90 90 TYR CD1 C 13 133.208 0.028 . . . . . . B 112 TYR CD1 . 30480 1 1462 . 2 2 90 90 TYR N N 15 120.935 0.015 . . . . . . B 112 TYR N . 30480 1 1463 . 2 2 91 91 LEU H H 1 8.980 0.005 . . . . . . B 113 LEU H . 30480 1 1464 . 2 2 91 91 LEU HA H 1 4.754 0.010 . . . . . . B 113 LEU HA . 30480 1 1465 . 2 2 91 91 LEU HB2 H 1 1.341 0.010 . . . . . . B 113 LEU HB2 . 30480 1 1466 . 2 2 91 91 LEU HB3 H 1 1.159 0.009 . . . . . . B 113 LEU HB3 . 30480 1 1467 . 2 2 91 91 LEU HG H 1 1.294 0.006 . . . . . . B 113 LEU HG . 30480 1 1468 . 2 2 91 91 LEU HD11 H 1 0.361 0.009 . . . . . . B 113 LEU HD11 . 30480 1 1469 . 2 2 91 91 LEU HD12 H 1 0.361 0.009 . . . . . . B 113 LEU HD12 . 30480 1 1470 . 2 2 91 91 LEU HD13 H 1 0.361 0.009 . . . . . . B 113 LEU HD13 . 30480 1 1471 . 2 2 91 91 LEU HD21 H 1 0.554 0.006 . . . . . . B 113 LEU HD21 . 30480 1 1472 . 2 2 91 91 LEU HD22 H 1 0.554 0.006 . . . . . . B 113 LEU HD22 . 30480 1 1473 . 2 2 91 91 LEU HD23 H 1 0.554 0.006 . . . . . . B 113 LEU HD23 . 30480 1 1474 . 2 2 91 91 LEU C C 13 174.571 0.023 . . . . . . B 113 LEU C . 30480 1 1475 . 2 2 91 91 LEU CA C 13 52.428 0.000 . . . . . . B 113 LEU CA . 30480 1 1476 . 2 2 91 91 LEU CB C 13 46.728 0.041 . . . . . . B 113 LEU CB . 30480 1 1477 . 2 2 91 91 LEU CG C 13 26.079 0.068 . . . . . . B 113 LEU CG . 30480 1 1478 . 2 2 91 91 LEU CD1 C 13 22.881 0.109 . . . . . . B 113 LEU CD1 . 30480 1 1479 . 2 2 91 91 LEU CD2 C 13 27.674 0.021 . . . . . . B 113 LEU CD2 . 30480 1 1480 . 2 2 91 91 LEU N N 15 122.654 0.040 . . . . . . B 113 LEU N . 30480 1 1481 . 2 2 92 92 TYR H H 1 10.128 0.011 . . . . . . B 114 TYR H . 30480 1 1482 . 2 2 92 92 TYR HA H 1 5.819 0.009 . . . . . . B 114 TYR HA . 30480 1 1483 . 2 2 92 92 TYR HB2 H 1 2.775 0.011 . . . . . . B 114 TYR HB2 . 30480 1 1484 . 2 2 92 92 TYR HB3 H 1 2.631 0.008 . . . . . . B 114 TYR HB3 . 30480 1 1485 . 2 2 92 92 TYR HD1 H 1 6.791 0.006 . . . . . . B 114 TYR HD1 . 30480 1 1486 . 2 2 92 92 TYR HD2 H 1 6.791 0.006 . . . . . . B 114 TYR HD2 . 30480 1 1487 . 2 2 92 92 TYR HE1 H 1 6.184 0.008 . . . . . . B 114 TYR HE1 . 30480 1 1488 . 2 2 92 92 TYR HE2 H 1 6.184 0.008 . . . . . . B 114 TYR HE2 . 30480 1 1489 . 2 2 92 92 TYR C C 13 175.868 0.013 . . . . . . B 114 TYR C . 30480 1 1490 . 2 2 92 92 TYR CA C 13 56.771 0.026 . . . . . . B 114 TYR CA . 30480 1 1491 . 2 2 92 92 TYR CB C 13 44.159 0.040 . . . . . . B 114 TYR CB . 30480 1 1492 . 2 2 92 92 TYR CD1 C 13 132.585 0.108 . . . . . . B 114 TYR CD1 . 30480 1 1493 . 2 2 92 92 TYR CE1 C 13 117.232 0.063 . . . . . . B 114 TYR CE1 . 30480 1 1494 . 2 2 92 92 TYR N N 15 117.032 0.027 . . . . . . B 114 TYR N . 30480 1 1495 . 2 2 93 93 ASP H H 1 8.911 0.007 . . . . . . B 115 ASP H . 30480 1 1496 . 2 2 93 93 ASP HA H 1 5.124 0.007 . . . . . . B 115 ASP HA . 30480 1 1497 . 2 2 93 93 ASP HB2 H 1 2.882 0.015 . . . . . . B 115 ASP HB2 . 30480 1 1498 . 2 2 93 93 ASP HB3 H 1 2.912 0.010 . . . . . . B 115 ASP HB3 . 30480 1 1499 . 2 2 93 93 ASP C C 13 174.881 0.002 . . . . . . B 115 ASP C . 30480 1 1500 . 2 2 93 93 ASP CA C 13 53.111 0.030 . . . . . . B 115 ASP CA . 30480 1 1501 . 2 2 93 93 ASP CB C 13 44.907 0.036 . . . . . . B 115 ASP CB . 30480 1 1502 . 2 2 93 93 ASP N N 15 118.215 0.052 . . . . . . B 115 ASP N . 30480 1 1503 . 2 2 94 94 LEU H H 1 7.879 0.008 . . . . . . B 116 LEU H . 30480 1 1504 . 2 2 94 94 LEU HA H 1 4.899 0.008 . . . . . . B 116 LEU HA . 30480 1 1505 . 2 2 94 94 LEU HB2 H 1 0.728 0.008 . . . . . . B 116 LEU HB2 . 30480 1 1506 . 2 2 94 94 LEU HB3 H 1 0.906 0.008 . . . . . . B 116 LEU HB3 . 30480 1 1507 . 2 2 94 94 LEU HG H 1 1.234 0.008 . . . . . . B 116 LEU HG . 30480 1 1508 . 2 2 94 94 LEU HD11 H 1 -0.359 0.007 . . . . . . B 116 LEU HD11 . 30480 1 1509 . 2 2 94 94 LEU HD12 H 1 -0.359 0.007 . . . . . . B 116 LEU HD12 . 30480 1 1510 . 2 2 94 94 LEU HD13 H 1 -0.359 0.007 . . . . . . B 116 LEU HD13 . 30480 1 1511 . 2 2 94 94 LEU HD21 H 1 0.145 0.007 . . . . . . B 116 LEU HD21 . 30480 1 1512 . 2 2 94 94 LEU HD22 H 1 0.145 0.007 . . . . . . B 116 LEU HD22 . 30480 1 1513 . 2 2 94 94 LEU HD23 H 1 0.145 0.007 . . . . . . B 116 LEU HD23 . 30480 1 1514 . 2 2 94 94 LEU C C 13 174.483 0.005 . . . . . . B 116 LEU C . 30480 1 1515 . 2 2 94 94 LEU CA C 13 53.667 0.018 . . . . . . B 116 LEU CA . 30480 1 1516 . 2 2 94 94 LEU CB C 13 42.609 0.053 . . . . . . B 116 LEU CB . 30480 1 1517 . 2 2 94 94 LEU CG C 13 26.638 0.080 . . . . . . B 116 LEU CG . 30480 1 1518 . 2 2 94 94 LEU CD1 C 13 25.576 0.035 . . . . . . B 116 LEU CD1 . 30480 1 1519 . 2 2 94 94 LEU CD2 C 13 22.066 0.019 . . . . . . B 116 LEU CD2 . 30480 1 1520 . 2 2 94 94 LEU N N 15 120.409 0.041 . . . . . . B 116 LEU N . 30480 1 1521 . 2 2 95 95 LEU H H 1 7.820 0.008 . . . . . . B 117 LEU H . 30480 1 1522 . 2 2 95 95 LEU HA H 1 4.926 0.010 . . . . . . B 117 LEU HA . 30480 1 1523 . 2 2 95 95 LEU HB2 H 1 1.606 0.010 . . . . . . B 117 LEU HB2 . 30480 1 1524 . 2 2 95 95 LEU HB3 H 1 1.434 0.009 . . . . . . B 117 LEU HB3 . 30480 1 1525 . 2 2 95 95 LEU HG H 1 1.597 0.005 . . . . . . B 117 LEU HG . 30480 1 1526 . 2 2 95 95 LEU HD11 H 1 0.789 0.010 . . . . . . B 117 LEU HD11 . 30480 1 1527 . 2 2 95 95 LEU HD12 H 1 0.789 0.010 . . . . . . B 117 LEU HD12 . 30480 1 1528 . 2 2 95 95 LEU HD13 H 1 0.789 0.010 . . . . . . B 117 LEU HD13 . 30480 1 1529 . 2 2 95 95 LEU HD21 H 1 0.800 0.011 . . . . . . B 117 LEU HD21 . 30480 1 1530 . 2 2 95 95 LEU HD22 H 1 0.800 0.011 . . . . . . B 117 LEU HD22 . 30480 1 1531 . 2 2 95 95 LEU HD23 H 1 0.800 0.011 . . . . . . B 117 LEU HD23 . 30480 1 1532 . 2 2 95 95 LEU C C 13 176.882 0.008 . . . . . . B 117 LEU C . 30480 1 1533 . 2 2 95 95 LEU CA C 13 53.527 0.055 . . . . . . B 117 LEU CA . 30480 1 1534 . 2 2 95 95 LEU CB C 13 45.241 0.036 . . . . . . B 117 LEU CB . 30480 1 1535 . 2 2 95 95 LEU CG C 13 28.624 0.000 . . . . . . B 117 LEU CG . 30480 1 1536 . 2 2 95 95 LEU CD1 C 13 25.716 0.052 . . . . . . B 117 LEU CD1 . 30480 1 1537 . 2 2 95 95 LEU CD2 C 13 24.896 0.017 . . . . . . B 117 LEU CD2 . 30480 1 1538 . 2 2 95 95 LEU N N 15 118.851 0.050 . . . . . . B 117 LEU N . 30480 1 1539 . 2 2 96 96 ASN H H 1 8.771 0.007 . . . . . . B 118 ASN H . 30480 1 1540 . 2 2 96 96 ASN HA H 1 4.548 0.013 . . . . . . B 118 ASN HA . 30480 1 1541 . 2 2 96 96 ASN HB2 H 1 3.181 0.007 . . . . . . B 118 ASN HB2 . 30480 1 1542 . 2 2 96 96 ASN HB3 H 1 2.870 0.012 . . . . . . B 118 ASN HB3 . 30480 1 1543 . 2 2 96 96 ASN HD21 H 1 7.440 0.014 . . . . . . B 118 ASN HD21 . 30480 1 1544 . 2 2 96 96 ASN HD22 H 1 7.029 0.004 . . . . . . B 118 ASN HD22 . 30480 1 1545 . 2 2 96 96 ASN C C 13 173.969 0.013 . . . . . . B 118 ASN C . 30480 1 1546 . 2 2 96 96 ASN CA C 13 54.118 0.025 . . . . . . B 118 ASN CA . 30480 1 1547 . 2 2 96 96 ASN CB C 13 36.907 0.030 . . . . . . B 118 ASN CB . 30480 1 1548 . 2 2 96 96 ASN N N 15 119.441 0.071 . . . . . . B 118 ASN N . 30480 1 1549 . 2 2 96 96 ASN ND2 N 15 111.810 0.106 . . . . . . B 118 ASN ND2 . 30480 1 1550 . 2 2 97 97 VAL H H 1 8.405 0.014 . . . . . . B 119 VAL H . 30480 1 1551 . 2 2 97 97 VAL HA H 1 4.422 0.009 . . . . . . B 119 VAL HA . 30480 1 1552 . 2 2 97 97 VAL HB H 1 1.609 0.006 . . . . . . B 119 VAL HB . 30480 1 1553 . 2 2 97 97 VAL HG11 H 1 0.729 0.008 . . . . . . B 119 VAL HG11 . 30480 1 1554 . 2 2 97 97 VAL HG12 H 1 0.729 0.008 . . . . . . B 119 VAL HG12 . 30480 1 1555 . 2 2 97 97 VAL HG13 H 1 0.729 0.008 . . . . . . B 119 VAL HG13 . 30480 1 1556 . 2 2 97 97 VAL HG21 H 1 0.416 0.007 . . . . . . B 119 VAL HG21 . 30480 1 1557 . 2 2 97 97 VAL HG22 H 1 0.416 0.007 . . . . . . B 119 VAL HG22 . 30480 1 1558 . 2 2 97 97 VAL HG23 H 1 0.416 0.007 . . . . . . B 119 VAL HG23 . 30480 1 1559 . 2 2 97 97 VAL C C 13 176.201 0.010 . . . . . . B 119 VAL C . 30480 1 1560 . 2 2 97 97 VAL CA C 13 61.507 0.037 . . . . . . B 119 VAL CA . 30480 1 1561 . 2 2 97 97 VAL CB C 13 32.448 0.035 . . . . . . B 119 VAL CB . 30480 1 1562 . 2 2 97 97 VAL CG1 C 13 22.609 0.036 . . . . . . B 119 VAL CG1 . 30480 1 1563 . 2 2 97 97 VAL CG2 C 13 22.639 0.035 . . . . . . B 119 VAL CG2 . 30480 1 1564 . 2 2 97 97 VAL N N 15 121.847 0.038 . . . . . . B 119 VAL N . 30480 1 1565 . 2 2 98 98 GLY H H 1 8.705 0.006 . . . . . . B 120 GLY H . 30480 1 1566 . 2 2 98 98 GLY HA2 H 1 3.846 0.012 . . . . . . B 120 GLY HA2 . 30480 1 1567 . 2 2 98 98 GLY HA3 H 1 4.018 0.008 . . . . . . B 120 GLY HA3 . 30480 1 1568 . 2 2 98 98 GLY C C 13 173.300 0.000 . . . . . . B 120 GLY C . 30480 1 1569 . 2 2 98 98 GLY CA C 13 46.490 0.033 . . . . . . B 120 GLY CA . 30480 1 1570 . 2 2 98 98 GLY N N 15 114.436 0.040 . . . . . . B 120 GLY N . 30480 1 1571 . 2 2 99 99 GLU HA H 1 4.462 0.002 . . . . . . B 121 GLU HA . 30480 1 1572 . 2 2 99 99 GLU HB2 H 1 1.951 0.005 . . . . . . B 121 GLU HB2 . 30480 1 1573 . 2 2 99 99 GLU HB3 H 1 2.081 0.002 . . . . . . B 121 GLU HB3 . 30480 1 1574 . 2 2 99 99 GLU HG2 H 1 2.373 0.005 . . . . . . B 121 GLU HG2 . 30480 1 1575 . 2 2 99 99 GLU HG3 H 1 2.183 0.004 . . . . . . B 121 GLU HG3 . 30480 1 1576 . 2 2 99 99 GLU C C 13 177.655 0.001 . . . . . . B 121 GLU C . 30480 1 1577 . 2 2 99 99 GLU CA C 13 57.509 0.040 . . . . . . B 121 GLU CA . 30480 1 1578 . 2 2 99 99 GLU CB C 13 30.688 0.046 . . . . . . B 121 GLU CB . 30480 1 1579 . 2 2 99 99 GLU CG C 13 36.995 0.026 . . . . . . B 121 GLU CG . 30480 1 1580 . 2 2 100 100 ASP H H 1 7.990 0.003 . . . . . . B 122 ASP H . 30480 1 1581 . 2 2 100 100 ASP HA H 1 4.744 0.010 . . . . . . B 122 ASP HA . 30480 1 1582 . 2 2 100 100 ASP HB2 H 1 2.900 0.011 . . . . . . B 122 ASP HB2 . 30480 1 1583 . 2 2 100 100 ASP HB3 H 1 2.556 0.011 . . . . . . B 122 ASP HB3 . 30480 1 1584 . 2 2 100 100 ASP C C 13 176.200 0.009 . . . . . . B 122 ASP C . 30480 1 1585 . 2 2 100 100 ASP CA C 13 53.663 0.022 . . . . . . B 122 ASP CA . 30480 1 1586 . 2 2 100 100 ASP CB C 13 42.074 0.006 . . . . . . B 122 ASP CB . 30480 1 1587 . 2 2 100 100 ASP N N 15 116.282 0.021 . . . . . . B 122 ASP N . 30480 1 1588 . 2 2 101 101 ASN H H 1 8.117 0.008 . . . . . . B 123 ASN H . 30480 1 1589 . 2 2 101 101 ASN HA H 1 4.618 0.012 . . . . . . B 123 ASN HA . 30480 1 1590 . 2 2 101 101 ASN HB2 H 1 2.731 0.008 . . . . . . B 123 ASN HB2 . 30480 1 1591 . 2 2 101 101 ASN HB3 H 1 2.667 0.003 . . . . . . B 123 ASN HB3 . 30480 1 1592 . 2 2 101 101 ASN C C 13 173.088 0.004 . . . . . . B 123 ASN C . 30480 1 1593 . 2 2 101 101 ASN CA C 13 55.477 0.000 . . . . . . B 123 ASN CA . 30480 1 1594 . 2 2 101 101 ASN CB C 13 37.782 0.044 . . . . . . B 123 ASN CB . 30480 1 1595 . 2 2 101 101 ASN N N 15 111.387 0.074 . . . . . . B 123 ASN N . 30480 1 1596 . 2 2 102 102 LEU H H 1 7.578 0.007 . . . . . . B 124 LEU H . 30480 1 1597 . 2 2 102 102 LEU HA H 1 5.414 0.007 . . . . . . B 124 LEU HA . 30480 1 1598 . 2 2 102 102 LEU HB2 H 1 0.895 0.010 . . . . . . B 124 LEU HB2 . 30480 1 1599 . 2 2 102 102 LEU HB3 H 1 1.678 0.008 . . . . . . B 124 LEU HB3 . 30480 1 1600 . 2 2 102 102 LEU HG H 1 1.537 0.009 . . . . . . B 124 LEU HG . 30480 1 1601 . 2 2 102 102 LEU HD11 H 1 0.450 0.006 . . . . . . B 124 LEU HD11 . 30480 1 1602 . 2 2 102 102 LEU HD12 H 1 0.450 0.006 . . . . . . B 124 LEU HD12 . 30480 1 1603 . 2 2 102 102 LEU HD13 H 1 0.450 0.006 . . . . . . B 124 LEU HD13 . 30480 1 1604 . 2 2 102 102 LEU HD21 H 1 0.749 0.009 . . . . . . B 124 LEU HD21 . 30480 1 1605 . 2 2 102 102 LEU HD22 H 1 0.749 0.009 . . . . . . B 124 LEU HD22 . 30480 1 1606 . 2 2 102 102 LEU HD23 H 1 0.749 0.009 . . . . . . B 124 LEU HD23 . 30480 1 1607 . 2 2 102 102 LEU C C 13 177.169 0.004 . . . . . . B 124 LEU C . 30480 1 1608 . 2 2 102 102 LEU CA C 13 53.617 0.016 . . . . . . B 124 LEU CA . 30480 1 1609 . 2 2 102 102 LEU CB C 13 43.267 0.033 . . . . . . B 124 LEU CB . 30480 1 1610 . 2 2 102 102 LEU CG C 13 25.527 0.046 . . . . . . B 124 LEU CG . 30480 1 1611 . 2 2 102 102 LEU CD1 C 13 22.300 0.028 . . . . . . B 124 LEU CD1 . 30480 1 1612 . 2 2 102 102 LEU CD2 C 13 25.494 0.051 . . . . . . B 124 LEU CD2 . 30480 1 1613 . 2 2 102 102 LEU N N 15 116.483 0.043 . . . . . . B 124 LEU N . 30480 1 1614 . 2 2 103 103 TYR H H 1 8.850 0.009 . . . . . . B 125 TYR H . 30480 1 1615 . 2 2 103 103 TYR HA H 1 4.661 0.012 . . . . . . B 125 TYR HA . 30480 1 1616 . 2 2 103 103 TYR HB2 H 1 3.277 0.006 . . . . . . B 125 TYR HB2 . 30480 1 1617 . 2 2 103 103 TYR HB3 H 1 2.782 0.009 . . . . . . B 125 TYR HB3 . 30480 1 1618 . 2 2 103 103 TYR HD1 H 1 6.839 0.008 . . . . . . B 125 TYR HD1 . 30480 1 1619 . 2 2 103 103 TYR HD2 H 1 6.839 0.008 . . . . . . B 125 TYR HD2 . 30480 1 1620 . 2 2 103 103 TYR HE1 H 1 6.572 0.007 . . . . . . B 125 TYR HE1 . 30480 1 1621 . 2 2 103 103 TYR HE2 H 1 6.572 0.007 . . . . . . B 125 TYR HE2 . 30480 1 1622 . 2 2 103 103 TYR C C 13 173.052 0.005 . . . . . . B 125 TYR C . 30480 1 1623 . 2 2 103 103 TYR CA C 13 57.040 0.000 . . . . . . B 125 TYR CA . 30480 1 1624 . 2 2 103 103 TYR CB C 13 40.521 0.038 . . . . . . B 125 TYR CB . 30480 1 1625 . 2 2 103 103 TYR CD2 C 13 133.246 0.015 . . . . . . B 125 TYR CD2 . 30480 1 1626 . 2 2 103 103 TYR CE1 C 13 118.460 0.061 . . . . . . B 125 TYR CE1 . 30480 1 1627 . 2 2 103 103 TYR N N 15 114.197 0.039 . . . . . . B 125 TYR N . 30480 1 1628 . 2 2 104 104 TYR H H 1 7.647 0.007 . . . . . . B 126 TYR H . 30480 1 1629 . 2 2 104 104 TYR HA H 1 4.883 0.006 . . . . . . B 126 TYR HA . 30480 1 1630 . 2 2 104 104 TYR HB2 H 1 2.939 0.012 . . . . . . B 126 TYR HB2 . 30480 1 1631 . 2 2 104 104 TYR HB3 H 1 2.903 0.012 . . . . . . B 126 TYR HB3 . 30480 1 1632 . 2 2 104 104 TYR HD1 H 1 6.529 0.008 . . . . . . B 126 TYR HD1 . 30480 1 1633 . 2 2 104 104 TYR HD2 H 1 6.529 0.008 . . . . . . B 126 TYR HD2 . 30480 1 1634 . 2 2 104 104 TYR C C 13 176.700 0.019 . . . . . . B 126 TYR C . 30480 1 1635 . 2 2 104 104 TYR CA C 13 59.650 0.068 . . . . . . B 126 TYR CA . 30480 1 1636 . 2 2 104 104 TYR CB C 13 40.122 0.060 . . . . . . B 126 TYR CB . 30480 1 1637 . 2 2 104 104 TYR CD1 C 13 131.879 0.000 . . . . . . B 126 TYR CD1 . 30480 1 1638 . 2 2 104 104 TYR N N 15 117.910 0.058 . . . . . . B 126 TYR N . 30480 1 1639 . 2 2 105 105 THR H H 1 9.732 0.005 . . . . . . B 127 THR H . 30480 1 1640 . 2 2 105 105 THR HA H 1 4.689 0.016 . . . . . . B 127 THR HA . 30480 1 1641 . 2 2 105 105 THR HB H 1 3.948 0.008 . . . . . . B 127 THR HB . 30480 1 1642 . 2 2 105 105 THR HG21 H 1 0.716 0.006 . . . . . . B 127 THR HG21 . 30480 1 1643 . 2 2 105 105 THR HG22 H 1 0.716 0.006 . . . . . . B 127 THR HG22 . 30480 1 1644 . 2 2 105 105 THR HG23 H 1 0.716 0.006 . . . . . . B 127 THR HG23 . 30480 1 1645 . 2 2 105 105 THR C C 13 176.333 0.024 . . . . . . B 127 THR C . 30480 1 1646 . 2 2 105 105 THR CA C 13 56.248 0.000 . . . . . . B 127 THR CA . 30480 1 1647 . 2 2 105 105 THR CB C 13 70.766 0.038 . . . . . . B 127 THR CB . 30480 1 1648 . 2 2 105 105 THR CG2 C 13 22.608 0.046 . . . . . . B 127 THR CG2 . 30480 1 1649 . 2 2 105 105 THR N N 15 110.228 0.048 . . . . . . B 127 THR N . 30480 1 1650 . 2 2 106 106 ASN H H 1 9.974 0.005 . . . . . . B 128 ASN H . 30480 1 1651 . 2 2 106 106 ASN HA H 1 4.609 0.006 . . . . . . B 128 ASN HA . 30480 1 1652 . 2 2 106 106 ASN HB2 H 1 3.161 0.008 . . . . . . B 128 ASN HB2 . 30480 1 1653 . 2 2 106 106 ASN HB3 H 1 3.665 0.006 . . . . . . B 128 ASN HB3 . 30480 1 1654 . 2 2 106 106 ASN HD21 H 1 8.310 0.007 . . . . . . B 128 ASN HD21 . 30480 1 1655 . 2 2 106 106 ASN HD22 H 1 7.336 0.006 . . . . . . B 128 ASN HD22 . 30480 1 1656 . 2 2 106 106 ASN C C 13 174.930 0.006 . . . . . . B 128 ASN C . 30480 1 1657 . 2 2 106 106 ASN CA C 13 54.422 0.000 . . . . . . B 128 ASN CA . 30480 1 1658 . 2 2 106 106 ASN CB C 13 36.849 0.017 . . . . . . B 128 ASN CB . 30480 1 1659 . 2 2 106 106 ASN N N 15 126.684 0.039 . . . . . . B 128 ASN N . 30480 1 1660 . 2 2 106 106 ASN ND2 N 15 112.335 0.094 . . . . . . B 128 ASN ND2 . 30480 1 1661 . 2 2 107 107 GLY H H 1 8.573 0.006 . . . . . . B 129 GLY H . 30480 1 1662 . 2 2 107 107 GLY HA2 H 1 4.109 0.011 . . . . . . B 129 GLY HA2 . 30480 1 1663 . 2 2 107 107 GLY HA3 H 1 3.538 0.012 . . . . . . B 129 GLY HA3 . 30480 1 1664 . 2 2 107 107 GLY C C 13 173.089 0.003 . . . . . . B 129 GLY C . 30480 1 1665 . 2 2 107 107 GLY CA C 13 45.852 0.027 . . . . . . B 129 GLY CA . 30480 1 1666 . 2 2 107 107 GLY N N 15 101.247 0.029 . . . . . . B 129 GLY N . 30480 1 1667 . 2 2 108 108 ILE H H 1 8.028 0.006 . . . . . . B 130 ILE H . 30480 1 1668 . 2 2 108 108 ILE HA H 1 4.463 0.010 . . . . . . B 130 ILE HA . 30480 1 1669 . 2 2 108 108 ILE HB H 1 1.852 0.010 . . . . . . B 130 ILE HB . 30480 1 1670 . 2 2 108 108 ILE HG12 H 1 1.060 0.012 . . . . . . B 130 ILE HG12 . 30480 1 1671 . 2 2 108 108 ILE HG13 H 1 1.195 0.003 . . . . . . B 130 ILE HG13 . 30480 1 1672 . 2 2 108 108 ILE HG21 H 1 0.691 0.008 . . . . . . B 130 ILE HG21 . 30480 1 1673 . 2 2 108 108 ILE HG22 H 1 0.691 0.008 . . . . . . B 130 ILE HG22 . 30480 1 1674 . 2 2 108 108 ILE HG23 H 1 0.691 0.008 . . . . . . B 130 ILE HG23 . 30480 1 1675 . 2 2 108 108 ILE HD11 H 1 0.279 0.008 . . . . . . B 130 ILE HD11 . 30480 1 1676 . 2 2 108 108 ILE HD12 H 1 0.279 0.008 . . . . . . B 130 ILE HD12 . 30480 1 1677 . 2 2 108 108 ILE HD13 H 1 0.279 0.008 . . . . . . B 130 ILE HD13 . 30480 1 1678 . 2 2 108 108 ILE C C 13 174.980 0.003 . . . . . . B 130 ILE C . 30480 1 1679 . 2 2 108 108 ILE CA C 13 58.632 0.061 . . . . . . B 130 ILE CA . 30480 1 1680 . 2 2 108 108 ILE CB C 13 40.303 0.045 . . . . . . B 130 ILE CB . 30480 1 1681 . 2 2 108 108 ILE CG1 C 13 27.327 0.081 . . . . . . B 130 ILE CG1 . 30480 1 1682 . 2 2 108 108 ILE CG2 C 13 18.302 0.024 . . . . . . B 130 ILE CG2 . 30480 1 1683 . 2 2 108 108 ILE CD1 C 13 12.705 0.039 . . . . . . B 130 ILE CD1 . 30480 1 1684 . 2 2 108 108 ILE N N 15 120.964 0.042 . . . . . . B 130 ILE N . 30480 1 1685 . 2 2 109 109 VAL H H 1 9.762 0.009 . . . . . . B 131 VAL H . 30480 1 1686 . 2 2 109 109 VAL HA H 1 3.922 0.009 . . . . . . B 131 VAL HA . 30480 1 1687 . 2 2 109 109 VAL HB H 1 2.099 0.009 . . . . . . B 131 VAL HB . 30480 1 1688 . 2 2 109 109 VAL HG11 H 1 0.725 0.004 . . . . . . B 131 VAL HG11 . 30480 1 1689 . 2 2 109 109 VAL HG12 H 1 0.725 0.004 . . . . . . B 131 VAL HG12 . 30480 1 1690 . 2 2 109 109 VAL HG13 H 1 0.725 0.004 . . . . . . B 131 VAL HG13 . 30480 1 1691 . 2 2 109 109 VAL HG21 H 1 0.727 0.008 . . . . . . B 131 VAL HG21 . 30480 1 1692 . 2 2 109 109 VAL HG22 H 1 0.727 0.008 . . . . . . B 131 VAL HG22 . 30480 1 1693 . 2 2 109 109 VAL HG23 H 1 0.727 0.008 . . . . . . B 131 VAL HG23 . 30480 1 1694 . 2 2 109 109 VAL C C 13 177.652 0.015 . . . . . . B 131 VAL C . 30480 1 1695 . 2 2 109 109 VAL CA C 13 64.275 0.025 . . . . . . B 131 VAL CA . 30480 1 1696 . 2 2 109 109 VAL CB C 13 31.668 0.043 . . . . . . B 131 VAL CB . 30480 1 1697 . 2 2 109 109 VAL CG1 C 13 24.830 0.017 . . . . . . B 131 VAL CG1 . 30480 1 1698 . 2 2 109 109 VAL CG2 C 13 22.955 0.032 . . . . . . B 131 VAL CG2 . 30480 1 1699 . 2 2 109 109 VAL N N 15 124.947 0.039 . . . . . . B 131 VAL N . 30480 1 1700 . 2 2 110 110 SER H H 1 9.234 0.009 . . . . . . B 132 SER H . 30480 1 1701 . 2 2 110 110 SER HA H 1 4.860 0.010 . . . . . . B 132 SER HA . 30480 1 1702 . 2 2 110 110 SER HB2 H 1 3.302 0.011 . . . . . . B 132 SER HB2 . 30480 1 1703 . 2 2 110 110 SER HB3 H 1 3.705 0.011 . . . . . . B 132 SER HB3 . 30480 1 1704 . 2 2 110 110 SER C C 13 170.951 0.014 . . . . . . B 132 SER C . 30480 1 1705 . 2 2 110 110 SER CA C 13 60.540 0.094 . . . . . . B 132 SER CA . 30480 1 1706 . 2 2 110 110 SER CB C 13 65.690 0.033 . . . . . . B 132 SER CB . 30480 1 1707 . 2 2 110 110 SER N N 15 129.669 0.065 . . . . . . B 132 SER N . 30480 1 1708 . 2 2 111 111 HIS H H 1 8.192 0.008 . . . . . . B 133 HIS H . 30480 1 1709 . 2 2 111 111 HIS HA H 1 5.114 0.009 . . . . . . B 133 HIS HA . 30480 1 1710 . 2 2 111 111 HIS HB2 H 1 2.713 0.012 . . . . . . B 133 HIS HB2 . 30480 1 1711 . 2 2 111 111 HIS HB3 H 1 3.048 0.016 . . . . . . B 133 HIS HB3 . 30480 1 1712 . 2 2 111 111 HIS HD2 H 1 7.118 0.023 . . . . . . B 133 HIS HD2 . 30480 1 1713 . 2 2 111 111 HIS CA C 13 55.010 0.038 . . . . . . B 133 HIS CA . 30480 1 1714 . 2 2 111 111 HIS CB C 13 29.923 0.092 . . . . . . B 133 HIS CB . 30480 1 1715 . 2 2 111 111 HIS CD2 C 13 123.682 0.101 . . . . . . B 133 HIS CD2 . 30480 1 1716 . 2 2 111 111 HIS N N 15 121.785 0.069 . . . . . . B 133 HIS N . 30480 1 1717 . 2 2 112 112 ALA H H 1 9.320 0.010 . . . . . . B 134 ALA H . 30480 1 1718 . 2 2 112 112 ALA HA H 1 5.077 0.007 . . . . . . B 134 ALA HA . 30480 1 1719 . 2 2 112 112 ALA HB1 H 1 1.517 0.007 . . . . . . B 134 ALA HB1 . 30480 1 1720 . 2 2 112 112 ALA HB2 H 1 1.517 0.007 . . . . . . B 134 ALA HB2 . 30480 1 1721 . 2 2 112 112 ALA HB3 H 1 1.517 0.007 . . . . . . B 134 ALA HB3 . 30480 1 1722 . 2 2 112 112 ALA C C 13 176.861 0.025 . . . . . . B 134 ALA C . 30480 1 1723 . 2 2 112 112 ALA CA C 13 51.926 0.024 . . . . . . B 134 ALA CA . 30480 1 1724 . 2 2 112 112 ALA CB C 13 19.843 0.021 . . . . . . B 134 ALA CB . 30480 1 1725 . 2 2 112 112 ALA N N 15 131.274 0.052 . . . . . . B 134 ALA N . 30480 1 1726 . 2 2 113 113 CYS H H 1 8.397 0.012 . . . . . . B 135 CYS H . 30480 1 1727 . 2 2 113 113 CYS HA H 1 4.449 0.007 . . . . . . B 135 CYS HA . 30480 1 1728 . 2 2 113 113 CYS HB2 H 1 2.927 0.007 . . . . . . B 135 CYS HB2 . 30480 1 1729 . 2 2 113 113 CYS HB3 H 1 3.125 0.005 . . . . . . B 135 CYS HB3 . 30480 1 1730 . 2 2 113 113 CYS C C 13 174.433 0.011 . . . . . . B 135 CYS C . 30480 1 1731 . 2 2 113 113 CYS CA C 13 59.879 0.037 . . . . . . B 135 CYS CA . 30480 1 1732 . 2 2 113 113 CYS CB C 13 28.381 0.038 . . . . . . B 135 CYS CB . 30480 1 1733 . 2 2 113 113 CYS N N 15 119.298 0.030 . . . . . . B 135 CYS N . 30480 1 1734 . 2 2 114 114 GLU H H 1 8.718 0.005 . . . . . . B 136 GLU H . 30480 1 1735 . 2 2 114 114 GLU HA H 1 4.667 0.011 . . . . . . B 136 GLU HA . 30480 1 1736 . 2 2 114 114 GLU HB2 H 1 1.977 0.011 . . . . . . B 136 GLU HB2 . 30480 1 1737 . 2 2 114 114 GLU HB3 H 1 2.121 0.007 . . . . . . B 136 GLU HB3 . 30480 1 1738 . 2 2 114 114 GLU HG2 H 1 2.287 0.008 . . . . . . B 136 GLU HG2 . 30480 1 1739 . 2 2 114 114 GLU HG3 H 1 2.287 0.008 . . . . . . B 136 GLU HG3 . 30480 1 1740 . 2 2 114 114 GLU C C 13 176.270 0.011 . . . . . . B 136 GLU C . 30480 1 1741 . 2 2 114 114 GLU CA C 13 55.790 0.000 . . . . . . B 136 GLU CA . 30480 1 1742 . 2 2 114 114 GLU CB C 13 31.936 0.022 . . . . . . B 136 GLU CB . 30480 1 1743 . 2 2 114 114 GLU CG C 13 36.693 0.001 . . . . . . B 136 GLU CG . 30480 1 1744 . 2 2 114 114 GLU N N 15 124.755 0.024 . . . . . . B 136 GLU N . 30480 1 1745 . 2 2 115 115 SER H H 1 8.657 0.012 . . . . . . B 137 SER H . 30480 1 1746 . 2 2 115 115 SER HB3 H 1 3.773 0.003 . . . . . . B 137 SER HB3 . 30480 1 1747 . 2 2 115 115 SER C C 13 174.245 0.008 . . . . . . B 137 SER C . 30480 1 1748 . 2 2 115 115 SER CB C 13 63.785 0.000 . . . . . . B 137 SER CB . 30480 1 1749 . 2 2 115 115 SER N N 15 117.397 0.056 . . . . . . B 137 SER N . 30480 1 1750 . 2 2 116 116 ARG H H 1 8.585 0.001 . . . . . . B 138 ARG H . 30480 1 1751 . 2 2 116 116 ARG HA H 1 4.378 0.002 . . . . . . B 138 ARG HA . 30480 1 1752 . 2 2 116 116 ARG HB2 H 1 1.725 0.003 . . . . . . B 138 ARG HB2 . 30480 1 1753 . 2 2 116 116 ARG HB3 H 1 1.876 0.006 . . . . . . B 138 ARG HB3 . 30480 1 1754 . 2 2 116 116 ARG HG2 H 1 1.584 0.009 . . . . . . B 138 ARG HG2 . 30480 1 1755 . 2 2 116 116 ARG HG3 H 1 1.578 0.008 . . . . . . B 138 ARG HG3 . 30480 1 1756 . 2 2 116 116 ARG HD2 H 1 3.045 0.008 . . . . . . B 138 ARG HD2 . 30480 1 1757 . 2 2 116 116 ARG HD3 H 1 3.045 0.008 . . . . . . B 138 ARG HD3 . 30480 1 1758 . 2 2 116 116 ARG C C 13 176.611 0.013 . . . . . . B 138 ARG C . 30480 1 1759 . 2 2 116 116 ARG CA C 13 56.266 0.015 . . . . . . B 138 ARG CA . 30480 1 1760 . 2 2 116 116 ARG CB C 13 30.909 0.043 . . . . . . B 138 ARG CB . 30480 1 1761 . 2 2 116 116 ARG CG C 13 27.266 0.005 . . . . . . B 138 ARG CG . 30480 1 1762 . 2 2 116 116 ARG CD C 13 43.268 0.096 . . . . . . B 138 ARG CD . 30480 1 1763 . 2 2 116 116 ARG N N 15 123.837 0.028 . . . . . . B 138 ARG N . 30480 1 1764 . 2 2 117 117 GLY H H 1 8.374 0.017 . . . . . . B 139 GLY H . 30480 1 1765 . 2 2 117 117 GLY HA2 H 1 3.897 0.010 . . . . . . B 139 GLY HA2 . 30480 1 1766 . 2 2 117 117 GLY HA3 H 1 3.897 0.010 . . . . . . B 139 GLY HA3 . 30480 1 1767 . 2 2 117 117 GLY C C 13 173.066 0.003 . . . . . . B 139 GLY C . 30480 1 1768 . 2 2 117 117 GLY CA C 13 45.422 0.030 . . . . . . B 139 GLY CA . 30480 1 1769 . 2 2 117 117 GLY N N 15 110.172 0.041 . . . . . . B 139 GLY N . 30480 1 1770 . 2 2 118 118 LYS H H 1 7.724 0.013 . . . . . . B 140 LYS H . 30480 1 1771 . 2 2 118 118 LYS C C 13 181.284 0.000 . . . . . . B 140 LYS C . 30480 1 1772 . 2 2 118 118 LYS N N 15 125.717 0.019 . . . . . . B 140 LYS N . 30480 1 stop_ save_