data_30478 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30478 _Entry.Title ; NMR solution structure of wild type hFABP1 in the presence of GW7647 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-11 _Entry.Accession_date 2018-06-11 _Entry.Last_release_date 2018-06-29 _Entry.Original_release_date 2018-06-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30478 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 M. Scanlon M. J. . . 30478 2 B. Mohanty B. . . . 30478 3 B. Doak B. C. . . 30478 4 R. Patil R. . . . 30478 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GW7647 . 30478 hLFABP . 30478 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30478 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 30478 '15N chemical shifts' 145 30478 '1H chemical shifts' 932 30478 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 . . 2019-03-26 2018-06-09 update BMRB 'update entry citation' 30478 1 . . 2019-01-02 2018-06-09 original author 'original release' 30478 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6DO7 . 30478 PDB 6DRG . 30478 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30478 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA118.006848 _Citation.PubMed_ID 30598509 _Citation.Full_citation . _Citation.Title ; A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 294 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3720 _Citation.Page_last 3734 _Citation.Year 2019 _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 Rahul Patil R. . . . 30478 1 2 Biswaranjan Mohanty B. . . . 30478 1 3 Bonan Liu B. . . . 30478 1 4 Indu Chandrashekaran I. R. . . 30478 1 5 Stephen Headey S. J. . . 30478 1 6 Martin Williams M. L. . . 30478 1 7 Craig Clements C. S. . . 30478 1 8 Olga Ilyichova O. . . . 30478 1 9 Bradley Doak B. C. . . 30478 1 10 Patrick Genissel P. . . . 30478 1 11 Richard Weaver R. J. . . 30478 1 12 Laurent Vuillard L. . . . 30478 1 13 Michelle Halls M. L. . . 30478 1 14 Christopher Porter . . . . 30478 1 15 Martin Scanlon M. J. . . 30478 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30478 _Assembly.ID 1 _Assembly.Name 'Fatty acid-binding protein, liver' _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 . . . . . . 30478 1 2 entity_2 2 $entity_2VN B A no . . . . . . 30478 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30478 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHVAMSFSGKYQLQSQ ENFEAFMKAIGLPEELIQKG KDIKGVSEIVQNGKHFKFTI TAGSKVIQNEFTVGEECELE TMTGEKVKTVVQLEGDNKLV TTFKNIKSVTELNGDIITNT MTLGDIVFKRISKRI ; _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 135 _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 15225.457 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fatty acid-binding protein 1' na 30478 1 L-FABP na 30478 1 'Liver-type fatty acid-binding protein' na 30478 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 HIS . 30478 1 2 -6 HIS . 30478 1 3 -5 HIS . 30478 1 4 -4 HIS . 30478 1 5 -3 HIS . 30478 1 6 -2 HIS . 30478 1 7 -1 VAL . 30478 1 8 0 ALA . 30478 1 9 1 MET . 30478 1 10 2 SER . 30478 1 11 3 PHE . 30478 1 12 4 SER . 30478 1 13 5 GLY . 30478 1 14 6 LYS . 30478 1 15 7 TYR . 30478 1 16 8 GLN . 30478 1 17 9 LEU . 30478 1 18 10 GLN . 30478 1 19 11 SER . 30478 1 20 12 GLN . 30478 1 21 13 GLU . 30478 1 22 14 ASN . 30478 1 23 15 PHE . 30478 1 24 16 GLU . 30478 1 25 17 ALA . 30478 1 26 18 PHE . 30478 1 27 19 MET . 30478 1 28 20 LYS . 30478 1 29 21 ALA . 30478 1 30 22 ILE . 30478 1 31 23 GLY . 30478 1 32 24 LEU . 30478 1 33 25 PRO . 30478 1 34 26 GLU . 30478 1 35 27 GLU . 30478 1 36 28 LEU . 30478 1 37 29 ILE . 30478 1 38 30 GLN . 30478 1 39 31 LYS . 30478 1 40 32 GLY . 30478 1 41 33 LYS . 30478 1 42 34 ASP . 30478 1 43 35 ILE . 30478 1 44 36 LYS . 30478 1 45 37 GLY . 30478 1 46 38 VAL . 30478 1 47 39 SER . 30478 1 48 40 GLU . 30478 1 49 41 ILE . 30478 1 50 42 VAL . 30478 1 51 43 GLN . 30478 1 52 44 ASN . 30478 1 53 45 GLY . 30478 1 54 46 LYS . 30478 1 55 47 HIS . 30478 1 56 48 PHE . 30478 1 57 49 LYS . 30478 1 58 50 PHE . 30478 1 59 51 THR . 30478 1 60 52 ILE . 30478 1 61 53 THR . 30478 1 62 54 ALA . 30478 1 63 55 GLY . 30478 1 64 56 SER . 30478 1 65 57 LYS . 30478 1 66 58 VAL . 30478 1 67 59 ILE . 30478 1 68 60 GLN . 30478 1 69 61 ASN . 30478 1 70 62 GLU . 30478 1 71 63 PHE . 30478 1 72 64 THR . 30478 1 73 65 VAL . 30478 1 74 66 GLY . 30478 1 75 67 GLU . 30478 1 76 68 GLU . 30478 1 77 69 CYS . 30478 1 78 70 GLU . 30478 1 79 71 LEU . 30478 1 80 72 GLU . 30478 1 81 73 THR . 30478 1 82 74 MET . 30478 1 83 75 THR . 30478 1 84 76 GLY . 30478 1 85 77 GLU . 30478 1 86 78 LYS . 30478 1 87 79 VAL . 30478 1 88 80 LYS . 30478 1 89 81 THR . 30478 1 90 82 VAL . 30478 1 91 83 VAL . 30478 1 92 84 GLN . 30478 1 93 85 LEU . 30478 1 94 86 GLU . 30478 1 95 87 GLY . 30478 1 96 88 ASP . 30478 1 97 89 ASN . 30478 1 98 90 LYS . 30478 1 99 91 LEU . 30478 1 100 92 VAL . 30478 1 101 93 THR . 30478 1 102 94 THR . 30478 1 103 95 PHE . 30478 1 104 96 LYS . 30478 1 105 97 ASN . 30478 1 106 98 ILE . 30478 1 107 99 LYS . 30478 1 108 100 SER . 30478 1 109 101 VAL . 30478 1 110 102 THR . 30478 1 111 103 GLU . 30478 1 112 104 LEU . 30478 1 113 105 ASN . 30478 1 114 106 GLY . 30478 1 115 107 ASP . 30478 1 116 108 ILE . 30478 1 117 109 ILE . 30478 1 118 110 THR . 30478 1 119 111 ASN . 30478 1 120 112 THR . 30478 1 121 113 MET . 30478 1 122 114 THR . 30478 1 123 115 LEU . 30478 1 124 116 GLY . 30478 1 125 117 ASP . 30478 1 126 118 ILE . 30478 1 127 119 VAL . 30478 1 128 120 PHE . 30478 1 129 121 LYS . 30478 1 130 122 ARG . 30478 1 131 123 ILE . 30478 1 132 124 SER . 30478 1 133 125 LYS . 30478 1 134 126 ARG . 30478 1 135 127 ILE . 30478 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 . HIS 1 1 30478 1 . HIS 2 2 30478 1 . HIS 3 3 30478 1 . HIS 4 4 30478 1 . HIS 5 5 30478 1 . HIS 6 6 30478 1 . VAL 7 7 30478 1 . ALA 8 8 30478 1 . MET 9 9 30478 1 . SER 10 10 30478 1 . PHE 11 11 30478 1 . SER 12 12 30478 1 . GLY 13 13 30478 1 . LYS 14 14 30478 1 . TYR 15 15 30478 1 . GLN 16 16 30478 1 . LEU 17 17 30478 1 . GLN 18 18 30478 1 . SER 19 19 30478 1 . GLN 20 20 30478 1 . GLU 21 21 30478 1 . ASN 22 22 30478 1 . PHE 23 23 30478 1 . GLU 24 24 30478 1 . ALA 25 25 30478 1 . PHE 26 26 30478 1 . MET 27 27 30478 1 . LYS 28 28 30478 1 . ALA 29 29 30478 1 . ILE 30 30 30478 1 . GLY 31 31 30478 1 . LEU 32 32 30478 1 . PRO 33 33 30478 1 . GLU 34 34 30478 1 . GLU 35 35 30478 1 . LEU 36 36 30478 1 . ILE 37 37 30478 1 . GLN 38 38 30478 1 . LYS 39 39 30478 1 . GLY 40 40 30478 1 . LYS 41 41 30478 1 . ASP 42 42 30478 1 . ILE 43 43 30478 1 . LYS 44 44 30478 1 . GLY 45 45 30478 1 . VAL 46 46 30478 1 . SER 47 47 30478 1 . GLU 48 48 30478 1 . ILE 49 49 30478 1 . VAL 50 50 30478 1 . GLN 51 51 30478 1 . ASN 52 52 30478 1 . GLY 53 53 30478 1 . LYS 54 54 30478 1 . HIS 55 55 30478 1 . PHE 56 56 30478 1 . LYS 57 57 30478 1 . PHE 58 58 30478 1 . THR 59 59 30478 1 . ILE 60 60 30478 1 . THR 61 61 30478 1 . ALA 62 62 30478 1 . GLY 63 63 30478 1 . SER 64 64 30478 1 . LYS 65 65 30478 1 . VAL 66 66 30478 1 . ILE 67 67 30478 1 . GLN 68 68 30478 1 . ASN 69 69 30478 1 . GLU 70 70 30478 1 . PHE 71 71 30478 1 . THR 72 72 30478 1 . VAL 73 73 30478 1 . GLY 74 74 30478 1 . GLU 75 75 30478 1 . GLU 76 76 30478 1 . CYS 77 77 30478 1 . GLU 78 78 30478 1 . LEU 79 79 30478 1 . GLU 80 80 30478 1 . THR 81 81 30478 1 . MET 82 82 30478 1 . THR 83 83 30478 1 . GLY 84 84 30478 1 . GLU 85 85 30478 1 . LYS 86 86 30478 1 . VAL 87 87 30478 1 . LYS 88 88 30478 1 . THR 89 89 30478 1 . VAL 90 90 30478 1 . VAL 91 91 30478 1 . GLN 92 92 30478 1 . LEU 93 93 30478 1 . GLU 94 94 30478 1 . GLY 95 95 30478 1 . ASP 96 96 30478 1 . ASN 97 97 30478 1 . LYS 98 98 30478 1 . LEU 99 99 30478 1 . VAL 100 100 30478 1 . THR 101 101 30478 1 . THR 102 102 30478 1 . PHE 103 103 30478 1 . LYS 104 104 30478 1 . ASN 105 105 30478 1 . ILE 106 106 30478 1 . LYS 107 107 30478 1 . SER 108 108 30478 1 . VAL 109 109 30478 1 . THR 110 110 30478 1 . GLU 111 111 30478 1 . LEU 112 112 30478 1 . ASN 113 113 30478 1 . GLY 114 114 30478 1 . ASP 115 115 30478 1 . ILE 116 116 30478 1 . ILE 117 117 30478 1 . THR 118 118 30478 1 . ASN 119 119 30478 1 . THR 120 120 30478 1 . MET 121 121 30478 1 . THR 122 122 30478 1 . LEU 123 123 30478 1 . GLY 124 124 30478 1 . ASP 125 125 30478 1 . ILE 126 126 30478 1 . VAL 127 127 30478 1 . PHE 128 128 30478 1 . LYS 129 129 30478 1 . ARG 130 130 30478 1 . ILE 131 131 30478 1 . SER 132 132 30478 1 . LYS 133 133 30478 1 . ARG 134 134 30478 1 . ILE 135 135 30478 1 stop_ save_ save_entity_2VN _Entity.Sf_category entity _Entity.Sf_framecode entity_2VN _Entity.Entry_ID 30478 _Entity.ID 2 _Entity.BMRB_code 2VN _Entity.Name entity_2VN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 2VN _Entity.Nonpolymer_comp_label $chem_comp_2VN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 502.752 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid' BMRB 30478 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid' BMRB 30478 2 2VN 'Three letter code' 30478 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 2VN $chem_comp_2VN 30478 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 30478 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'FABP1, FABPL' . 30478 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 30478 _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' . . 562 Escherichia coli . . . . . . 'pET-45b (+)' . . . 30478 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_2VN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_2VN _Chem_comp.Entry_ID 30478 _Chem_comp.ID 2VN _Chem_comp.Provenance PDB _Chem_comp.Name '2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 2VN _Chem_comp.PDB_code 2VN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-02-27 _Chem_comp.Modified_date 2014-02-27 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 2VN _Chem_comp.Number_atoms_all 81 _Chem_comp.Number_atoms_nh 35 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C29 H46 N2 O3 S' _Chem_comp.Formula_weight 502.752 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2ML0 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 SMILES 'OpenEye OEToolkits' 1.7.6 30478 2VN CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3 SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 30478 2VN CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3)cc1)C(O)=O SMILES CACTVS 3.385 30478 2VN CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.385 30478 2VN ; InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) ; InChI InChI 1.03 30478 2VN O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3 SMILES ACDLabs 12.01 30478 2VN PKNYXWMTHFMHKD-UHFFFAOYSA-N InChIKey InChI 1.03 30478 2VN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 30478 2VN '2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methyl-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 30478 2VN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C26 C26 C26 C26 . C . . N 0 . . . 1 no no . . . . 2.126 . 1.486 . 1.894 . 7.472 -0.556 0.317 1 . 30478 2VN C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -5.892 . -1.153 . 2.613 . -4.573 4.282 1.335 2 . 30478 2VN C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -3.799 . 3.444 . 0.053 . -3.139 -0.704 -0.316 3 . 30478 2VN C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -2.954 . 4.188 . 1.079 . -4.056 -1.744 0.331 4 . 30478 2VN C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -3.813 . 5.020 . 2.030 . -4.909 -2.413 -0.748 5 . 30478 2VN C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -4.623 . 6.096 . 1.289 . -5.826 -3.453 -0.100 6 . 30478 2VN C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -3.726 . 6.894 . 0.326 . -4.979 -4.576 0.500 7 . 30478 2VN C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -2.645 . 7.650 . 1.094 . -5.896 -5.616 1.148 8 . 30478 2VN C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -3.272 . 8.602 . 2.102 . -6.836 -6.197 0.089 9 . 30478 2VN C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -4.182 . 7.844 . 3.058 . -7.683 -5.073 -0.511 10 . 30478 2VN C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -5.255 . 7.080 . 2.287 . -6.766 -4.033 -1.159 11 . 30478 2VN C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -4.096 . 2.565 . 4.224 . 0.938 0.760 0.807 12 . 30478 2VN C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -5.510 . -1.419 . 1.140 . -3.507 3.976 0.280 13 . 30478 2VN C20 C20 C20 C20 . C . . N 0 . . . 1 yes no . . . . -2.606 . 2.272 . 4.112 . 2.309 0.361 0.326 14 . 30478 2VN C21 C21 C21 C21 . C . . N 0 . . . 1 yes no . . . . -1.700 . 3.311 . 3.909 . 2.735 -0.948 0.466 15 . 30478 2VN C22 C22 C22 C22 . C . . N 0 . . . 1 yes no . . . . -0.335 . 3.036 . 3.799 . 3.988 -1.319 0.022 16 . 30478 2VN C23 C23 C23 C23 . C . . N 0 . . . 1 yes no . . . . 0.129 . 1.721 . 3.888 . 4.822 -0.376 -0.567 17 . 30478 2VN C24 C24 C24 C24 . C . . N 0 . . . 1 yes no . . . . -0.786 . 0.689 . 4.093 . 4.391 0.938 -0.705 18 . 30478 2VN C25 C25 C25 C25 . C . . N 0 . . . 1 yes no . . . . -2.147 . 0.962 . 4.207 . 3.136 1.302 -0.258 19 . 30478 2VN C27 C27 C27 C27 . C . . N 0 . . . 1 no no . . . . 0.777 . 1.096 . 1.251 . 8.896 -0.927 -0.011 20 . 30478 2VN C28 C28 C28 C28 . C . . N 0 . . . 1 no no . . . . 2.468 . 2.938 . 1.531 . 6.977 -1.414 1.482 21 . 30478 2VN C29 C29 C29 C29 . C . . N 0 . . . 1 no no . . . . 3.239 . 0.583 . 1.382 . 7.407 0.922 0.707 22 . 30478 2VN C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -4.889 . -2.825 . 1.034 . -4.102 4.167 -1.116 23 . 30478 2VN C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -3.697 . -2.975 . 1.965 . -4.578 5.612 -1.276 24 . 30478 2VN C55 C55 C55 C55 . C . . N 0 . . . 1 no no . . . . -4.124 . -2.752 . 3.399 . -5.643 5.918 -0.221 25 . 30478 2VN C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -4.707 . -1.363 . 3.560 . -5.049 5.727 1.176 26 . 30478 2VN C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -3.726 . 0.431 . 1.375 . -1.826 2.235 0.003 27 . 30478 2VN C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -4.915 . 1.849 . 3.135 . -0.074 0.573 -0.324 28 . 30478 2VN C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -4.874 . 2.574 . 0.718 . -2.285 -0.034 0.763 29 . 30478 2VN N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . -4.262 . 1.750 . 1.796 . -1.407 0.961 0.143 30 . 30478 2VN N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -4.553 . -0.397 . 0.587 . -3.052 2.592 0.433 31 . 30478 2VN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 0.470 . -0.231 . 1.224 . 9.854 -0.795 0.919 32 . 30478 2VN O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -2.589 . 0.078 . 1.679 . -1.097 3.061 -0.512 33 . 30478 2VN O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -0.044 . 1.875 . 0.764 . 9.174 -1.343 -1.111 34 . 30478 2VN S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . 1.843 . 1.269 . 3.744 . 6.423 -0.844 -1.135 35 . 30478 2VN H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -6.242 . -0.114 . 2.707 . -5.418 3.605 1.204 36 . 30478 2VN H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -6.702 . -1.840 . 2.900 . -4.149 4.146 2.330 37 . 30478 2VN H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . -3.142 . 2.799 . -0.548 . -2.489 -1.194 -1.041 38 . 30478 2VN H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . -4.291 . 4.178 . -0.602 . -3.743 0.050 -0.821 39 . 30478 2VN H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . -2.381 . 3.455 . 1.666 . -3.451 -2.497 0.836 40 . 30478 2VN H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . -2.260 . 4.857 . 0.550 . -4.705 -1.254 1.057 41 . 30478 2VN H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . -4.510 . 4.351 . 2.555 . -5.514 -1.659 -1.252 42 . 30478 2VN H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -3.156 . 5.512 . 2.762 . -4.260 -2.903 -1.473 43 . 30478 2VN H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . -5.422 . 5.608 . 0.712 . -6.413 -2.980 0.687 44 . 30478 2VN H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . -4.344 . 7.614 . -0.230 . -4.392 -5.049 -0.287 45 . 30478 2VN H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . -3.248 . 6.200 . -0.381 . -4.309 -4.163 1.254 46 . 30478 2VN H26 H26 H26 H26 . H . . N 0 . . . 1 no no . . . . -2.008 . 6.928 . 1.626 . -5.292 -6.417 1.576 47 . 30478 2VN H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . -2.033 . 8.226 . 0.384 . -6.483 -5.143 1.935 48 . 30478 2VN H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . -2.475 . 9.097 . 2.677 . -6.249 -6.670 -0.698 49 . 30478 2VN H29 H29 H29 H29 . H . . N 0 . . . 1 no no . . . . -3.862 . 9.360 . 1.566 . -7.489 -6.938 0.551 50 . 30478 2VN H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -3.580 . 7.132 . 3.642 . -8.353 -5.487 -1.265 51 . 30478 2VN H30 H30 H30 H30 . H . . N 0 . . . 1 no no . . . . -4.666 . 8.559 . 3.739 . -8.270 -4.600 0.276 52 . 30478 2VN H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . -5.882 . 7.797 . 1.737 . -7.370 -3.233 -1.587 53 . 30478 2VN H33 H33 H33 H33 . H . . N 0 . . . 1 no no . . . . -5.878 . 6.519 . 2.999 . -6.179 -4.506 -1.946 54 . 30478 2VN H35 H35 H35 H35 . H . . N 0 . . . 1 no no . . . . -4.252 . 3.650 . 4.128 . 0.654 0.137 1.655 55 . 30478 2VN H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . -4.449 . 2.230 . 5.210 . 0.951 1.806 1.114 56 . 30478 2VN H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -6.430 . -1.402 . 0.538 . -2.663 4.653 0.411 57 . 30478 2VN HK6 HK6 HK6 HK6 . H . . N 0 . . . 1 no no . . . . -2.053 . 4.329 . 3.837 . 2.086 -1.680 0.924 58 . 30478 2VN HL7 HL7 HL7 HL7 . H . . N 0 . . . 1 no no . . . . 0.365 . 3.844 . 3.644 . 4.320 -2.341 0.131 59 . 30478 2VN HL8 HL8 HL8 HL8 . H . . N 0 . . . 1 no no . . . . -0.436 . -0.330 . 4.164 . 5.037 1.674 -1.162 60 . 30478 2VN HK9 HK9 HK9 HK9 . H . . N 0 . . . 1 no no . . . . -2.847 . 0.156 . 4.369 . 2.799 2.322 -0.370 61 . 30478 2VN HJ2 HJ2 HJ2 HJ2 . H . . N 0 . . . 1 no no . . . . 3.429 . 3.215 . 1.989 . 6.927 -2.458 1.170 62 . 30478 2VN HJ1 HJ1 HJ1 HJ1 . H . . N 0 . . . 1 no no . . . . 2.542 . 3.035 . 0.438 . 7.665 -1.319 2.322 63 . 30478 2VN HJ0 HJ0 HJ0 HJ0 . H . . N 0 . . . 1 no no . . . . 1.678 . 3.605 . 1.905 . 5.985 -1.079 1.785 64 . 30478 2VN HJ4 HJ4 HJ4 HJ4 . H . . N 0 . . . 1 no no . . . . 4.192 . 0.874 . 1.849 . 6.398 1.166 1.039 65 . 30478 2VN HJ5 HJ5 HJ5 HJ5 . H . . N 0 . . . 1 no no . . . . 3.010 . -0.462 . 1.637 . 8.112 1.115 1.516 66 . 30478 2VN HJ3 HJ3 HJ3 HJ3 . H . . N 0 . . . 1 no no . . . . 3.320 . 0.685 . 0.290 . 7.665 1.537 -0.154 67 . 30478 2VN H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -5.649 . -3.573 . 1.302 . -3.343 3.949 -1.867 68 . 30478 2VN H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -4.558 . -2.993 . -0.001 . -4.947 3.490 -1.247 69 . 30478 2VN H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -3.281 . -3.988 . 1.863 . -3.733 6.289 -1.145 70 . 30478 2VN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -2.929 . -2.235 . 1.695 . -5.002 5.748 -2.270 71 . 30478 2VN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . -4.884 . -3.499 . 3.673 . -5.982 6.947 -0.335 72 . 30478 2VN H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -3.251 . -2.858 . 4.059 . -6.488 5.241 -0.352 73 . 30478 2VN H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -3.930 . -0.618 . 3.334 . -5.808 5.945 1.927 74 . 30478 2VN H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -5.048 . -1.234 . 4.598 . -4.204 6.404 1.306 75 . 30478 2VN H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -5.862 . 2.395 . 3.010 . 0.209 1.196 -1.173 76 . 30478 2VN H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -5.124 . 0.828 . 3.486 . -0.087 -0.473 -0.631 77 . 30478 2VN H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . -5.651 . 3.221 . 1.150 . -2.935 0.455 1.488 78 . 30478 2VN H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . -5.325 . 1.912 . -0.036 . -1.681 -0.788 1.267 79 . 30478 2VN H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -4.500 . -0.298 . -0.407 . -3.634 1.933 0.843 80 . 30478 2VN H36 H36 H36 H36 . H . . N 0 . . . 1 no no . . . . -0.377 . -0.352 . 0.810 . 10.752 -1.046 0.663 81 . 30478 2VN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C10 C9 no N 1 . 30478 2VN 2 . SING C10 C11 no N 2 . 30478 2VN 3 . SING C14 C15 no N 3 . 30478 2VN 4 . SING C14 C13 no N 4 . 30478 2VN 5 . SING N1 C2 no N 5 . 30478 2VN 6 . SING N1 C7 no N 6 . 30478 2VN 7 . SING C9 N2 no N 7 . 30478 2VN 8 . DOUB O3 C27 no N 8 . 30478 2VN 9 . SING C3 C2 no N 9 . 30478 2VN 10 . SING C3 C4 no N 10 . 30478 2VN 11 . SING C11 C12 no N 11 . 30478 2VN 12 . SING C15 C16 no N 12 . 30478 2VN 13 . SING C2 C1 no N 13 . 30478 2VN 14 . SING O2 C27 no N 14 . 30478 2VN 15 . SING C27 C26 no N 15 . 30478 2VN 16 . SING C13 C12 no N 16 . 30478 2VN 17 . SING C13 C18 no N 17 . 30478 2VN 18 . DOUB C7 O1 no N 18 . 30478 2VN 19 . SING C7 N2 no N 19 . 30478 2VN 20 . SING C29 C26 no N 20 . 30478 2VN 21 . SING C28 C26 no N 21 . 30478 2VN 22 . SING N2 C8 no N 22 . 30478 2VN 23 . SING C26 S1 no N 23 . 30478 2VN 24 . SING C4 C55 no N 24 . 30478 2VN 25 . SING C16 C17 no N 25 . 30478 2VN 26 . SING C18 C17 no N 26 . 30478 2VN 27 . SING C1 C6 no N 27 . 30478 2VN 28 . SING C8 C19 no N 28 . 30478 2VN 29 . SING C55 C6 no N 29 . 30478 2VN 30 . SING S1 C23 no N 30 . 30478 2VN 31 . DOUB C22 C23 yes N 31 . 30478 2VN 32 . SING C22 C21 yes N 32 . 30478 2VN 33 . SING C23 C24 yes N 33 . 30478 2VN 34 . DOUB C21 C20 yes N 34 . 30478 2VN 35 . DOUB C24 C25 yes N 35 . 30478 2VN 36 . SING C20 C25 yes N 36 . 30478 2VN 37 . SING C20 C19 no N 37 . 30478 2VN 38 . SING C1 H2 no N 38 . 30478 2VN 39 . SING C1 H1 no N 39 . 30478 2VN 40 . SING C10 H18 no N 40 . 30478 2VN 41 . SING C10 H17 no N 41 . 30478 2VN 42 . SING C11 H20 no N 42 . 30478 2VN 43 . SING C11 H19 no N 43 . 30478 2VN 44 . SING C12 H22 no N 44 . 30478 2VN 45 . SING C12 H21 no N 45 . 30478 2VN 46 . SING C13 H23 no N 46 . 30478 2VN 47 . SING C14 H24 no N 47 . 30478 2VN 48 . SING C14 H25 no N 48 . 30478 2VN 49 . SING C15 H26 no N 49 . 30478 2VN 50 . SING C15 H27 no N 50 . 30478 2VN 51 . SING C16 H28 no N 51 . 30478 2VN 52 . SING C16 H29 no N 52 . 30478 2VN 53 . SING C17 H31 no N 53 . 30478 2VN 54 . SING C17 H30 no N 54 . 30478 2VN 55 . SING C18 H32 no N 55 . 30478 2VN 56 . SING C18 H33 no N 56 . 30478 2VN 57 . SING C19 H35 no N 57 . 30478 2VN 58 . SING C19 H34 no N 58 . 30478 2VN 59 . SING C2 H3 no N 59 . 30478 2VN 60 . SING C21 HK6 no N 60 . 30478 2VN 61 . SING C22 HL7 no N 61 . 30478 2VN 62 . SING C24 HL8 no N 62 . 30478 2VN 63 . SING C25 HK9 no N 63 . 30478 2VN 64 . SING C28 HJ2 no N 64 . 30478 2VN 65 . SING C28 HJ1 no N 65 . 30478 2VN 66 . SING C28 HJ0 no N 66 . 30478 2VN 67 . SING C29 HJ4 no N 67 . 30478 2VN 68 . SING C29 HJ5 no N 68 . 30478 2VN 69 . SING C29 HJ3 no N 69 . 30478 2VN 70 . SING C3 H4 no N 70 . 30478 2VN 71 . SING C3 H5 no N 71 . 30478 2VN 72 . SING C4 H7 no N 72 . 30478 2VN 73 . SING C4 H6 no N 73 . 30478 2VN 74 . SING C55 H9 no N 74 . 30478 2VN 75 . SING C55 H8 no N 75 . 30478 2VN 76 . SING C6 H11 no N 76 . 30478 2VN 77 . SING C6 H10 no N 77 . 30478 2VN 78 . SING C8 H14 no N 78 . 30478 2VN 79 . SING C8 H13 no N 79 . 30478 2VN 80 . SING C9 H16 no N 80 . 30478 2VN 81 . SING C9 H15 no N 81 . 30478 2VN 82 . SING N1 H12 no N 82 . 30478 2VN 83 . SING O2 H36 no N 83 . 30478 2VN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30478 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N13C] hFABP1 wild type, 0.5 mM unlabelled GW7647, 20 mM sodium phosphate, 50 mM sodium chloride, 1 % D6 DMSO, 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 'hFABP1 wild type' [U-15N13C] . . 1 $entity_1 . . 0.5 . . mM . . . . 30478 1 2 GW7647 'natural abundance' . . . . . . 0.5 . . mM . . . . 30478 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30478 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30478 1 5 DMSO D6 . . . . . . 1 . . % . . . . 30478 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30478 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-2H,15N13C] hFABP1 wild type, 1 mM unlabelled GW7647, 50 mM sodium chloride, 20 mM sodium phosphate, 1 % D6 DMSO, 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 'hFABP1 wild type' [U-2H,15N13C] . . 1 $entity_1 . . 1 . . mM . . . . 30478 2 2 GW7647 'natural abundance' . . . . . . 1 . . mM . . . . 30478 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30478 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30478 2 5 DMSO D6 . . . . . . 1 . . % . . . . 30478 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30478 _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' 70 . mM 30478 1 pH 5.5 . pH 30478 1 pressure 1 . atm 30478 1 temperature 308 . K 30478 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30478 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30478 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30478 1 processing 30478 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30478 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30478 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30478 2 'peak picking' 30478 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30478 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30478 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30478 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30478 _Software.ID 4 _Software.Type . _Software.Name Prime _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Prime, Schrodinger, LLC, New York, NY, 2018' . . 30478 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30478 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30478 _Software.ID 5 _Software.Type . _Software.Name OPALp _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi et al, 2000' . . 30478 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30478 5 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 30478 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30478 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30478 _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 'AVANCE III' . 600 . . . 30478 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 30478 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 30478 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 3 '3D 15N-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 4 '3D 13Cali resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 5 '3D 13Caro resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 6 '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 7 '3D F1-13C,15N-filtered, F2-13Cali edited [1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30478 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30478 1 9 '2D F1, F2-13C,15N-filtered [1H,1H] NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30478 1 10 '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30478 1 11 '3D F1-13C,15N-filtered, F2-15N edited [1H,1H] NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30478 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 30478 _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 . . . . . 30478 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30478 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30478 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 30478 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30478 1 2 '2D 1H-13C HSQC' . . . 30478 1 3 '3D 15N-resolved [1H,1H]-NOESY' . . . 30478 1 4 '3D 13Cali resolved [1H,1H]-NOESY' . . . 30478 1 5 '3D 13Caro resolved [1H,1H]-NOESY' . . . 30478 1 6 '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' . . . 30478 1 7 '3D F1-13C,15N-filtered, F2-13Cali edited [1H,1H] NOESY' . . . 30478 1 8 '2D 1H-15N HSQC' . . . 30478 1 9 '2D F1, F2-13C,15N-filtered [1H,1H] NOESY' . . . 30478 1 10 '2D F1-edited, F2-13C,15N-filtered [1H,1H] NOESY' . . . 30478 1 11 '3D F1-13C,15N-filtered, F2-15N edited [1H,1H] NOESY' . . . 30478 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 6 6 HIS CA C 13 55.872 0.000 . . . . . . A -2 HIS CA . 30478 1 2 . 1 1 7 7 VAL CA C 13 61.648 0.000 . . . . . . A -1 VAL CA . 30478 1 3 . 1 1 7 7 VAL CB C 13 33.377 0.000 . . . . . . A -1 VAL CB . 30478 1 4 . 1 1 8 8 ALA H H 1 8.394 0.000 . . . . . . A 0 ALA H . 30478 1 5 . 1 1 8 8 ALA HA H 1 4.292 0.000 . . . . . . A 0 ALA HA . 30478 1 6 . 1 1 8 8 ALA HB1 H 1 1.384 0.000 . . . . . . A 0 ALA HB1 . 30478 1 7 . 1 1 8 8 ALA HB2 H 1 1.384 0.000 . . . . . . A 0 ALA HB2 . 30478 1 8 . 1 1 8 8 ALA HB3 H 1 1.384 0.000 . . . . . . A 0 ALA HB3 . 30478 1 9 . 1 1 8 8 ALA CA C 13 52.3 0.000 . . . . . . A 0 ALA CA . 30478 1 10 . 1 1 8 8 ALA CB C 13 19.44 0.000 . . . . . . A 0 ALA CB . 30478 1 11 . 1 1 8 8 ALA N N 15 125.628 0.000 . . . . . . A 0 ALA N . 30478 1 12 . 1 1 9 9 MET H H 1 8.346 0.000 . . . . . . A 1 MET H . 30478 1 13 . 1 1 9 9 MET HA H 1 4.423 0.000 . . . . . . A 1 MET HA . 30478 1 14 . 1 1 9 9 MET HB2 H 1 1.962 0.000 . . . . . . A 1 MET HB2 . 30478 1 15 . 1 1 9 9 MET HB3 H 1 1.962 0.000 . . . . . . A 1 MET HB3 . 30478 1 16 . 1 1 9 9 MET HG2 H 1 2.48 0.000 . . . . . . A 1 MET HG2 . 30478 1 17 . 1 1 9 9 MET HG3 H 1 2.48 0.000 . . . . . . A 1 MET HG3 . 30478 1 18 . 1 1 9 9 MET HE1 H 1 1.969 0.000 . . . . . . A 1 MET HE1 . 30478 1 19 . 1 1 9 9 MET HE2 H 1 1.969 0.000 . . . . . . A 1 MET HE2 . 30478 1 20 . 1 1 9 9 MET HE3 H 1 1.969 0.000 . . . . . . A 1 MET HE3 . 30478 1 21 . 1 1 9 9 MET CA C 13 54.99 0.000 . . . . . . A 1 MET CA . 30478 1 22 . 1 1 9 9 MET CB C 13 33.299 0.000 . . . . . . A 1 MET CB . 30478 1 23 . 1 1 9 9 MET CG C 13 32.013 0.000 . . . . . . A 1 MET CG . 30478 1 24 . 1 1 9 9 MET CE C 13 17.24 0.000 . . . . . . A 1 MET CE . 30478 1 25 . 1 1 9 9 MET N N 15 117.695 0.000 . . . . . . A 1 MET N . 30478 1 26 . 1 1 10 10 SER H H 1 8.096 0.000 . . . . . . A 2 SER H . 30478 1 27 . 1 1 10 10 SER HA H 1 4.728 0.000 . . . . . . A 2 SER HA . 30478 1 28 . 1 1 10 10 SER HB2 H 1 3.873 0.000 . . . . . . A 2 SER HB2 . 30478 1 29 . 1 1 10 10 SER HB3 H 1 3.721 0.000 . . . . . . A 2 SER HB3 . 30478 1 30 . 1 1 10 10 SER CA C 13 57.028 0.000 . . . . . . A 2 SER CA . 30478 1 31 . 1 1 10 10 SER CB C 13 64.209 0.000 . . . . . . A 2 SER CB . 30478 1 32 . 1 1 10 10 SER N N 15 113.698 0.000 . . . . . . A 2 SER N . 30478 1 33 . 1 1 11 11 PHE H H 1 9.568 0.000 . . . . . . A 3 PHE H . 30478 1 34 . 1 1 11 11 PHE HA H 1 4.284 0.000 . . . . . . A 3 PHE HA . 30478 1 35 . 1 1 11 11 PHE HB2 H 1 3.111 0.000 . . . . . . A 3 PHE HB2 . 30478 1 36 . 1 1 11 11 PHE HB3 H 1 3.175 0.000 . . . . . . A 3 PHE HB3 . 30478 1 37 . 1 1 11 11 PHE HD1 H 1 7.391 0.000 . . . . . . A 3 PHE HD1 . 30478 1 38 . 1 1 11 11 PHE HD2 H 1 7.391 0.000 . . . . . . A 3 PHE HD2 . 30478 1 39 . 1 1 11 11 PHE HE1 H 1 7.103 0.000 . . . . . . A 3 PHE HE1 . 30478 1 40 . 1 1 11 11 PHE HE2 H 1 7.103 0.000 . . . . . . A 3 PHE HE2 . 30478 1 41 . 1 1 11 11 PHE HZ H 1 6.929 0.000 . . . . . . A 3 PHE HZ . 30478 1 42 . 1 1 11 11 PHE CA C 13 59.773 0.000 . . . . . . A 3 PHE CA . 30478 1 43 . 1 1 11 11 PHE CB C 13 41.038 0.000 . . . . . . A 3 PHE CB . 30478 1 44 . 1 1 11 11 PHE CD1 C 13 131.825 0.000 . . . . . . A 3 PHE CD1 . 30478 1 45 . 1 1 11 11 PHE CD2 C 13 131.82 0.000 . . . . . . A 3 PHE CD2 . 30478 1 46 . 1 1 11 11 PHE CE1 C 13 131.21 0.000 . . . . . . A 3 PHE CE1 . 30478 1 47 . 1 1 11 11 PHE CE2 C 13 131.206 0.000 . . . . . . A 3 PHE CE2 . 30478 1 48 . 1 1 11 11 PHE CZ C 13 129.605 0.000 . . . . . . A 3 PHE CZ . 30478 1 49 . 1 1 11 11 PHE N N 15 119.284 0.000 . . . . . . A 3 PHE N . 30478 1 50 . 1 1 12 12 SER H H 1 8.349 0.000 . . . . . . A 4 SER H . 30478 1 51 . 1 1 12 12 SER HA H 1 4.312 0.000 . . . . . . A 4 SER HA . 30478 1 52 . 1 1 12 12 SER HB2 H 1 3.972 0.000 . . . . . . A 4 SER HB2 . 30478 1 53 . 1 1 12 12 SER HB3 H 1 3.857 0.000 . . . . . . A 4 SER HB3 . 30478 1 54 . 1 1 12 12 SER CA C 13 59.769 0.000 . . . . . . A 4 SER CA . 30478 1 55 . 1 1 12 12 SER CB C 13 63.768 0.000 . . . . . . A 4 SER CB . 30478 1 56 . 1 1 12 12 SER N N 15 113.771 0.000 . . . . . . A 4 SER N . 30478 1 57 . 1 1 13 13 GLY H H 1 9.002 0.000 . . . . . . A 5 GLY H . 30478 1 58 . 1 1 13 13 GLY HA2 H 1 3.802 0.000 . . . . . . A 5 GLY HA2 . 30478 1 59 . 1 1 13 13 GLY HA3 H 1 3.882 0.000 . . . . . . A 5 GLY HA3 . 30478 1 60 . 1 1 13 13 GLY CA C 13 45.054 0.000 . . . . . . A 5 GLY CA . 30478 1 61 . 1 1 13 13 GLY N N 15 108.574 0.000 . . . . . . A 5 GLY N . 30478 1 62 . 1 1 14 14 LYS H H 1 8.227 0.000 . . . . . . A 6 LYS H . 30478 1 63 . 1 1 14 14 LYS HA H 1 5.102 0.000 . . . . . . A 6 LYS HA . 30478 1 64 . 1 1 14 14 LYS HB2 H 1 1.549 0.000 . . . . . . A 6 LYS HB2 . 30478 1 65 . 1 1 14 14 LYS HB3 H 1 1.549 0.000 . . . . . . A 6 LYS HB3 . 30478 1 66 . 1 1 14 14 LYS HG2 H 1 1.19 0.000 . . . . . . A 6 LYS HG2 . 30478 1 67 . 1 1 14 14 LYS HG3 H 1 1.43 0.000 . . . . . . A 6 LYS HG3 . 30478 1 68 . 1 1 14 14 LYS HD2 H 1 1.578 0.000 . . . . . . A 6 LYS HD2 . 30478 1 69 . 1 1 14 14 LYS HD3 H 1 1.578 0.000 . . . . . . A 6 LYS HD3 . 30478 1 70 . 1 1 14 14 LYS HE2 H 1 2.842 0.000 . . . . . . A 6 LYS HE2 . 30478 1 71 . 1 1 14 14 LYS HE3 H 1 2.842 0.000 . . . . . . A 6 LYS HE3 . 30478 1 72 . 1 1 14 14 LYS CA C 13 54.974 0.000 . . . . . . A 6 LYS CA . 30478 1 73 . 1 1 14 14 LYS CB C 13 34.811 0.000 . . . . . . A 6 LYS CB . 30478 1 74 . 1 1 14 14 LYS CG C 13 25.817 0.000 . . . . . . A 6 LYS CG . 30478 1 75 . 1 1 14 14 LYS CD C 13 29.466 0.000 . . . . . . A 6 LYS CD . 30478 1 76 . 1 1 14 14 LYS CE C 13 41.919 0.000 . . . . . . A 6 LYS CE . 30478 1 77 . 1 1 14 14 LYS N N 15 117.295 0.000 . . . . . . A 6 LYS N . 30478 1 78 . 1 1 15 15 TYR H H 1 9.108 0.000 . . . . . . A 7 TYR H . 30478 1 79 . 1 1 15 15 TYR HA H 1 5.062 0.000 . . . . . . A 7 TYR HA . 30478 1 80 . 1 1 15 15 TYR HB2 H 1 2.526 0.000 . . . . . . A 7 TYR HB2 . 30478 1 81 . 1 1 15 15 TYR HB3 H 1 2.526 0.000 . . . . . . A 7 TYR HB3 . 30478 1 82 . 1 1 15 15 TYR HD1 H 1 6.592 0.000 . . . . . . A 7 TYR HD1 . 30478 1 83 . 1 1 15 15 TYR HD2 H 1 6.592 0.000 . . . . . . A 7 TYR HD2 . 30478 1 84 . 1 1 15 15 TYR HE1 H 1 6.412 0.000 . . . . . . A 7 TYR HE1 . 30478 1 85 . 1 1 15 15 TYR HE2 H 1 6.412 0.000 . . . . . . A 7 TYR HE2 . 30478 1 86 . 1 1 15 15 TYR CA C 13 56.478 0.000 . . . . . . A 7 TYR CA . 30478 1 87 . 1 1 15 15 TYR CB C 13 42.364 0.000 . . . . . . A 7 TYR CB . 30478 1 88 . 1 1 15 15 TYR CD1 C 13 132.959 0.000 . . . . . . A 7 TYR CD1 . 30478 1 89 . 1 1 15 15 TYR CD2 C 13 132.96 0.000 . . . . . . A 7 TYR CD2 . 30478 1 90 . 1 1 15 15 TYR CE1 C 13 117.498 0.000 . . . . . . A 7 TYR CE1 . 30478 1 91 . 1 1 15 15 TYR CE2 C 13 117.397 0.000 . . . . . . A 7 TYR CE2 . 30478 1 92 . 1 1 15 15 TYR N N 15 116.869 0.000 . . . . . . A 7 TYR N . 30478 1 93 . 1 1 16 16 GLN H H 1 9.068 0.000 . . . . . . A 8 GLN H . 30478 1 94 . 1 1 16 16 GLN HA H 1 5.019 0.000 . . . . . . A 8 GLN HA . 30478 1 95 . 1 1 16 16 GLN HB2 H 1 1.985 0.000 . . . . . . A 8 GLN HB2 . 30478 1 96 . 1 1 16 16 GLN HB3 H 1 1.985 0.000 . . . . . . A 8 GLN HB3 . 30478 1 97 . 1 1 16 16 GLN HG2 H 1 2.278 0.000 . . . . . . A 8 GLN HG2 . 30478 1 98 . 1 1 16 16 GLN HG3 H 1 2.278 0.000 . . . . . . A 8 GLN HG3 . 30478 1 99 . 1 1 16 16 GLN HE21 H 1 7.43 0.000 . . . . . . A 8 GLN HE21 . 30478 1 100 . 1 1 16 16 GLN HE22 H 1 6.701 0.000 . . . . . . A 8 GLN HE22 . 30478 1 101 . 1 1 16 16 GLN CA C 13 53.736 0.000 . . . . . . A 8 GLN CA . 30478 1 102 . 1 1 16 16 GLN CB C 13 32.278 0.000 . . . . . . A 8 GLN CB . 30478 1 103 . 1 1 16 16 GLN CG C 13 33.893 0.000 . . . . . . A 8 GLN CG . 30478 1 104 . 1 1 16 16 GLN N N 15 119.308 0.000 . . . . . . A 8 GLN N . 30478 1 105 . 1 1 16 16 GLN NE2 N 15 109.075 0.000 . . . . . . A 8 GLN NE2 . 30478 1 106 . 1 1 17 17 LEU H H 1 8.429 0.000 . . . . . . A 9 LEU H . 30478 1 107 . 1 1 17 17 LEU HA H 1 4.596 0.000 . . . . . . A 9 LEU HA . 30478 1 108 . 1 1 17 17 LEU HB2 H 1 1.714 0.000 . . . . . . A 9 LEU HB2 . 30478 1 109 . 1 1 17 17 LEU HB3 H 1 1.549 0.000 . . . . . . A 9 LEU HB3 . 30478 1 110 . 1 1 17 17 LEU HG H 1 1.707 0.000 . . . . . . A 9 LEU HG . 30478 1 111 . 1 1 17 17 LEU HD11 H 1 0.818 0.000 . . . . . . A 9 LEU HD11 . 30478 1 112 . 1 1 17 17 LEU HD12 H 1 0.818 0.000 . . . . . . A 9 LEU HD12 . 30478 1 113 . 1 1 17 17 LEU HD13 H 1 0.818 0.000 . . . . . . A 9 LEU HD13 . 30478 1 114 . 1 1 17 17 LEU HD21 H 1 0.838 0.000 . . . . . . A 9 LEU HD21 . 30478 1 115 . 1 1 17 17 LEU HD22 H 1 0.838 0.000 . . . . . . A 9 LEU HD22 . 30478 1 116 . 1 1 17 17 LEU HD23 H 1 0.838 0.000 . . . . . . A 9 LEU HD23 . 30478 1 117 . 1 1 17 17 LEU CA C 13 56.919 0.000 . . . . . . A 9 LEU CA . 30478 1 118 . 1 1 17 17 LEU CB C 13 42.589 0.000 . . . . . . A 9 LEU CB . 30478 1 119 . 1 1 17 17 LEU CG C 13 31.116 0.000 . . . . . . A 9 LEU CG . 30478 1 120 . 1 1 17 17 LEU CD1 C 13 23.726 0.000 . . . . . . A 9 LEU CD1 . 30478 1 121 . 1 1 17 17 LEU CD2 C 13 26.638 0.000 . . . . . . A 9 LEU CD2 . 30478 1 122 . 1 1 17 17 LEU N N 15 130.159 0.000 . . . . . . A 9 LEU N . 30478 1 123 . 1 1 18 18 GLN H H 1 10.005 0.000 . . . . . . A 10 GLN H . 30478 1 124 . 1 1 18 18 GLN HA H 1 4.488 0.000 . . . . . . A 10 GLN HA . 30478 1 125 . 1 1 18 18 GLN HB2 H 1 2.137 0.000 . . . . . . A 10 GLN HB2 . 30478 1 126 . 1 1 18 18 GLN HB3 H 1 1.924 0.000 . . . . . . A 10 GLN HB3 . 30478 1 127 . 1 1 18 18 GLN HG2 H 1 2.395 0.000 . . . . . . A 10 GLN HG2 . 30478 1 128 . 1 1 18 18 GLN HG3 H 1 2.324 0.000 . . . . . . A 10 GLN HG3 . 30478 1 129 . 1 1 18 18 GLN HE21 H 1 7.006 0.000 . . . . . . A 10 GLN HE21 . 30478 1 130 . 1 1 18 18 GLN HE22 H 1 7.085 0.000 . . . . . . A 10 GLN HE22 . 30478 1 131 . 1 1 18 18 GLN CA C 13 56.133 0.000 . . . . . . A 10 GLN CA . 30478 1 132 . 1 1 18 18 GLN CB C 13 31.555 0.000 . . . . . . A 10 GLN CB . 30478 1 133 . 1 1 18 18 GLN CG C 13 34.59 0.000 . . . . . . A 10 GLN CG . 30478 1 134 . 1 1 18 18 GLN N N 15 123.204 0.000 . . . . . . A 10 GLN N . 30478 1 135 . 1 1 18 18 GLN NE2 N 15 110.59 0.000 . . . . . . A 10 GLN NE2 . 30478 1 136 . 1 1 19 19 SER H H 1 8.032 0.000 . . . . . . A 11 SER H . 30478 1 137 . 1 1 19 19 SER HA H 1 4.613 0.000 . . . . . . A 11 SER HA . 30478 1 138 . 1 1 19 19 SER HB2 H 1 3.805 0.000 . . . . . . A 11 SER HB2 . 30478 1 139 . 1 1 19 19 SER HB3 H 1 3.805 0.000 . . . . . . A 11 SER HB3 . 30478 1 140 . 1 1 19 19 SER CA C 13 57.539 0.000 . . . . . . A 11 SER CA . 30478 1 141 . 1 1 19 19 SER CB C 13 64.802 0.000 . . . . . . A 11 SER CB . 30478 1 142 . 1 1 19 19 SER N N 15 107.925 0.000 . . . . . . A 11 SER N . 30478 1 143 . 1 1 20 20 GLN H H 1 8.44 0.000 . . . . . . A 12 GLN H . 30478 1 144 . 1 1 20 20 GLN HA H 1 5.398 0.000 . . . . . . A 12 GLN HA . 30478 1 145 . 1 1 20 20 GLN HB2 H 1 2.192 0.000 . . . . . . A 12 GLN HB2 . 30478 1 146 . 1 1 20 20 GLN HB3 H 1 2.192 0.000 . . . . . . A 12 GLN HB3 . 30478 1 147 . 1 1 20 20 GLN HG2 H 1 2.426 0.000 . . . . . . A 12 GLN HG2 . 30478 1 148 . 1 1 20 20 GLN HG3 H 1 2.31 0.000 . . . . . . A 12 GLN HG3 . 30478 1 149 . 1 1 20 20 GLN HE21 H 1 5.631 0.000 . . . . . . A 12 GLN HE21 . 30478 1 150 . 1 1 20 20 GLN HE22 H 1 6.966 0.000 . . . . . . A 12 GLN HE22 . 30478 1 151 . 1 1 20 20 GLN CA C 13 54.455 0.000 . . . . . . A 12 GLN CA . 30478 1 152 . 1 1 20 20 GLN CB C 13 33.253 0.000 . . . . . . A 12 GLN CB . 30478 1 153 . 1 1 20 20 GLN CG C 13 34.742 0.000 . . . . . . A 12 GLN CG . 30478 1 154 . 1 1 20 20 GLN N N 15 115.016 0.000 . . . . . . A 12 GLN N . 30478 1 155 . 1 1 20 20 GLN NE2 N 15 105.229 0.000 . . . . . . A 12 GLN NE2 . 30478 1 156 . 1 1 21 21 GLU H H 1 9.25 0.000 . . . . . . A 13 GLU H . 30478 1 157 . 1 1 21 21 GLU HA H 1 4.778 0.000 . . . . . . A 13 GLU HA . 30478 1 158 . 1 1 21 21 GLU HB2 H 1 2.086 0.000 . . . . . . A 13 GLU HB2 . 30478 1 159 . 1 1 21 21 GLU HB3 H 1 1.88 0.000 . . . . . . A 13 GLU HB3 . 30478 1 160 . 1 1 21 21 GLU HG2 H 1 2.218 0.000 . . . . . . A 13 GLU HG2 . 30478 1 161 . 1 1 21 21 GLU HG3 H 1 2.218 0.000 . . . . . . A 13 GLU HG3 . 30478 1 162 . 1 1 21 21 GLU CA C 13 55.142 0.000 . . . . . . A 13 GLU CA . 30478 1 163 . 1 1 21 21 GLU CB C 13 33.319 0.000 . . . . . . A 13 GLU CB . 30478 1 164 . 1 1 21 21 GLU CG C 13 35.864 0.000 . . . . . . A 13 GLU CG . 30478 1 165 . 1 1 21 21 GLU N N 15 119.919 0.000 . . . . . . A 13 GLU N . 30478 1 166 . 1 1 22 22 ASN H H 1 9.263 0.000 . . . . . . A 14 ASN H . 30478 1 167 . 1 1 22 22 ASN HA H 1 4.775 0.000 . . . . . . A 14 ASN HA . 30478 1 168 . 1 1 22 22 ASN HB2 H 1 3.268 0.000 . . . . . . A 14 ASN HB2 . 30478 1 169 . 1 1 22 22 ASN HB3 H 1 3.451 0.000 . . . . . . A 14 ASN HB3 . 30478 1 170 . 1 1 22 22 ASN HD21 H 1 7.92 0.000 . . . . . . A 14 ASN HD21 . 30478 1 171 . 1 1 22 22 ASN HD22 H 1 7.071 0.000 . . . . . . A 14 ASN HD22 . 30478 1 172 . 1 1 22 22 ASN CA C 13 54.11 0.000 . . . . . . A 14 ASN CA . 30478 1 173 . 1 1 22 22 ASN CB C 13 36.872 0.000 . . . . . . A 14 ASN CB . 30478 1 174 . 1 1 22 22 ASN N N 15 115.422 0.000 . . . . . . A 14 ASN N . 30478 1 175 . 1 1 22 22 ASN ND2 N 15 111.595 0.000 . . . . . . A 14 ASN ND2 . 30478 1 176 . 1 1 23 23 PHE H H 1 8.323 0.000 . . . . . . A 15 PHE H . 30478 1 177 . 1 1 23 23 PHE HA H 1 3.457 0.000 . . . . . . A 15 PHE HA . 30478 1 178 . 1 1 23 23 PHE HB2 H 1 2.922 0.000 . . . . . . A 15 PHE HB2 . 30478 1 179 . 1 1 23 23 PHE HB3 H 1 2.922 0.000 . . . . . . A 15 PHE HB3 . 30478 1 180 . 1 1 23 23 PHE HD1 H 1 6.854 0.000 . . . . . . A 15 PHE HD1 . 30478 1 181 . 1 1 23 23 PHE HD2 H 1 6.854 0.000 . . . . . . A 15 PHE HD2 . 30478 1 182 . 1 1 23 23 PHE HE1 H 1 7.323 0.000 . . . . . . A 15 PHE HE1 . 30478 1 183 . 1 1 23 23 PHE HE2 H 1 7.323 0.000 . . . . . . A 15 PHE HE2 . 30478 1 184 . 1 1 23 23 PHE HZ H 1 7.083 0.000 . . . . . . A 15 PHE HZ . 30478 1 185 . 1 1 23 23 PHE CA C 13 61.764 0.000 . . . . . . A 15 PHE CA . 30478 1 186 . 1 1 23 23 PHE CB C 13 40.047 0.000 . . . . . . A 15 PHE CB . 30478 1 187 . 1 1 23 23 PHE CD1 C 13 131.546 0.000 . . . . . . A 15 PHE CD1 . 30478 1 188 . 1 1 23 23 PHE CD2 C 13 131.55 0.000 . . . . . . A 15 PHE CD2 . 30478 1 189 . 1 1 23 23 PHE CE1 C 13 131.446 0.000 . . . . . . A 15 PHE CE1 . 30478 1 190 . 1 1 23 23 PHE CE2 C 13 131.45 0.000 . . . . . . A 15 PHE CE2 . 30478 1 191 . 1 1 23 23 PHE CZ C 13 128.873 0.000 . . . . . . A 15 PHE CZ . 30478 1 192 . 1 1 23 23 PHE N N 15 115.658 0.000 . . . . . . A 15 PHE N . 30478 1 193 . 1 1 24 24 GLU H H 1 9.294 0.000 . . . . . . A 16 GLU H . 30478 1 194 . 1 1 24 24 GLU HA H 1 3.428 0.000 . . . . . . A 16 GLU HA . 30478 1 195 . 1 1 24 24 GLU HB2 H 1 1.979 0.000 . . . . . . A 16 GLU HB2 . 30478 1 196 . 1 1 24 24 GLU HB3 H 1 2.059 0.000 . . . . . . A 16 GLU HB3 . 30478 1 197 . 1 1 24 24 GLU HG2 H 1 2.331 0.000 . . . . . . A 16 GLU HG2 . 30478 1 198 . 1 1 24 24 GLU HG3 H 1 2.216 0.000 . . . . . . A 16 GLU HG3 . 30478 1 199 . 1 1 24 24 GLU CA C 13 60.997 0.000 . . . . . . A 16 GLU CA . 30478 1 200 . 1 1 24 24 GLU CB C 13 28.69 0.000 . . . . . . A 16 GLU CB . 30478 1 201 . 1 1 24 24 GLU CG C 13 37.646 0.000 . . . . . . A 16 GLU CG . 30478 1 202 . 1 1 24 24 GLU N N 15 115.757 0.000 . . . . . . A 16 GLU N . 30478 1 203 . 1 1 25 25 ALA H H 1 8.245 0.000 . . . . . . A 17 ALA H . 30478 1 204 . 1 1 25 25 ALA HA H 1 3.918 0.000 . . . . . . A 17 ALA HA . 30478 1 205 . 1 1 25 25 ALA HB1 H 1 1.355 0.000 . . . . . . A 17 ALA HB1 . 30478 1 206 . 1 1 25 25 ALA HB2 H 1 1.355 0.000 . . . . . . A 17 ALA HB2 . 30478 1 207 . 1 1 25 25 ALA HB3 H 1 1.355 0.000 . . . . . . A 17 ALA HB3 . 30478 1 208 . 1 1 25 25 ALA CA C 13 54.678 0.000 . . . . . . A 17 ALA CA . 30478 1 209 . 1 1 25 25 ALA CB C 13 18.394 0.000 . . . . . . A 17 ALA CB . 30478 1 210 . 1 1 25 25 ALA N N 15 117.054 0.000 . . . . . . A 17 ALA N . 30478 1 211 . 1 1 26 26 PHE H H 1 7.787 0.000 . . . . . . A 18 PHE H . 30478 1 212 . 1 1 26 26 PHE HA H 1 3.854 0.000 . . . . . . A 18 PHE HA . 30478 1 213 . 1 1 26 26 PHE HB2 H 1 2.923 0.000 . . . . . . A 18 PHE HB2 . 30478 1 214 . 1 1 26 26 PHE HB3 H 1 2.702 0.000 . . . . . . A 18 PHE HB3 . 30478 1 215 . 1 1 26 26 PHE HD1 H 1 6.804 0.000 . . . . . . A 18 PHE HD1 . 30478 1 216 . 1 1 26 26 PHE HD2 H 1 6.804 0.000 . . . . . . A 18 PHE HD2 . 30478 1 217 . 1 1 26 26 PHE HE1 H 1 7.016 0.000 . . . . . . A 18 PHE HE1 . 30478 1 218 . 1 1 26 26 PHE HE2 H 1 7.016 0.000 . . . . . . A 18 PHE HE2 . 30478 1 219 . 1 1 26 26 PHE CA C 13 61.777 0.000 . . . . . . A 18 PHE CA . 30478 1 220 . 1 1 26 26 PHE CB C 13 40.231 0.000 . . . . . . A 18 PHE CB . 30478 1 221 . 1 1 26 26 PHE CD1 C 13 132.244 0.000 . . . . . . A 18 PHE CD1 . 30478 1 222 . 1 1 26 26 PHE CD2 C 13 132.27 0.000 . . . . . . A 18 PHE CD2 . 30478 1 223 . 1 1 26 26 PHE CE1 C 13 130.54 0.000 . . . . . . A 18 PHE CE1 . 30478 1 224 . 1 1 26 26 PHE CE2 C 13 130.538 0.000 . . . . . . A 18 PHE CE2 . 30478 1 225 . 1 1 26 26 PHE N N 15 115.906 0.000 . . . . . . A 18 PHE N . 30478 1 226 . 1 1 27 27 MET H H 1 8.104 0.000 . . . . . . A 19 MET H . 30478 1 227 . 1 1 27 27 MET HA H 1 4.026 0.000 . . . . . . A 19 MET HA . 30478 1 228 . 1 1 27 27 MET HB2 H 1 1.574 0.000 . . . . . . A 19 MET HB2 . 30478 1 229 . 1 1 27 27 MET HB3 H 1 1.424 0.000 . . . . . . A 19 MET HB3 . 30478 1 230 . 1 1 27 27 MET HG2 H 1 1.509 0.000 . . . . . . A 19 MET HG2 . 30478 1 231 . 1 1 27 27 MET HG3 H 1 1.803 0.000 . . . . . . A 19 MET HG3 . 30478 1 232 . 1 1 27 27 MET HE1 H 1 1.56 0.000 . . . . . . A 19 MET HE1 . 30478 1 233 . 1 1 27 27 MET HE2 H 1 1.56 0.000 . . . . . . A 19 MET HE2 . 30478 1 234 . 1 1 27 27 MET HE3 H 1 1.56 0.000 . . . . . . A 19 MET HE3 . 30478 1 235 . 1 1 27 27 MET CA C 13 56.134 0.000 . . . . . . A 19 MET CA . 30478 1 236 . 1 1 27 27 MET CB C 13 31.425 0.000 . . . . . . A 19 MET CB . 30478 1 237 . 1 1 27 27 MET CG C 13 32.542 0.000 . . . . . . A 19 MET CG . 30478 1 238 . 1 1 27 27 MET CE C 13 18.907 0.000 . . . . . . A 19 MET CE . 30478 1 239 . 1 1 27 27 MET N N 15 111.937 0.000 . . . . . . A 19 MET N . 30478 1 240 . 1 1 28 28 LYS H H 1 8.184 0.000 . . . . . . A 20 LYS H . 30478 1 241 . 1 1 28 28 LYS HA H 1 3.944 0.000 . . . . . . A 20 LYS HA . 30478 1 242 . 1 1 28 28 LYS HB2 H 1 1.732 0.000 . . . . . . A 20 LYS HB2 . 30478 1 243 . 1 1 28 28 LYS HB3 H 1 1.732 0.000 . . . . . . A 20 LYS HB3 . 30478 1 244 . 1 1 28 28 LYS HG2 H 1 1.308 0.000 . . . . . . A 20 LYS HG2 . 30478 1 245 . 1 1 28 28 LYS HG3 H 1 1.468 0.000 . . . . . . A 20 LYS HG3 . 30478 1 246 . 1 1 28 28 LYS HD2 H 1 1.582 0.000 . . . . . . A 20 LYS HD2 . 30478 1 247 . 1 1 28 28 LYS HD3 H 1 1.582 0.000 . . . . . . A 20 LYS HD3 . 30478 1 248 . 1 1 28 28 LYS HE2 H 1 2.875 0.000 . . . . . . A 20 LYS HE2 . 30478 1 249 . 1 1 28 28 LYS HE3 H 1 2.875 0.000 . . . . . . A 20 LYS HE3 . 30478 1 250 . 1 1 28 28 LYS CA C 13 58.878 0.000 . . . . . . A 20 LYS CA . 30478 1 251 . 1 1 28 28 LYS CB C 13 32.297 0.000 . . . . . . A 20 LYS CB . 30478 1 252 . 1 1 28 28 LYS CG C 13 25.636 0.000 . . . . . . A 20 LYS CG . 30478 1 253 . 1 1 28 28 LYS CD C 13 29.254 0.000 . . . . . . A 20 LYS CD . 30478 1 254 . 1 1 28 28 LYS CE C 13 42.098 0.000 . . . . . . A 20 LYS CE . 30478 1 255 . 1 1 28 28 LYS N N 15 116.591 0.000 . . . . . . A 20 LYS N . 30478 1 256 . 1 1 29 29 ALA H H 1 7.475 0.000 . . . . . . A 21 ALA H . 30478 1 257 . 1 1 29 29 ALA HA H 1 3.983 0.000 . . . . . . A 21 ALA HA . 30478 1 258 . 1 1 29 29 ALA HB1 H 1 1.303 0.000 . . . . . . A 21 ALA HB1 . 30478 1 259 . 1 1 29 29 ALA HB2 H 1 1.303 0.000 . . . . . . A 21 ALA HB2 . 30478 1 260 . 1 1 29 29 ALA HB3 H 1 1.303 0.000 . . . . . . A 21 ALA HB3 . 30478 1 261 . 1 1 29 29 ALA CA C 13 54.642 0.000 . . . . . . A 21 ALA CA . 30478 1 262 . 1 1 29 29 ALA CB C 13 18.198 0.000 . . . . . . A 21 ALA CB . 30478 1 263 . 1 1 29 29 ALA N N 15 120.317 0.000 . . . . . . A 21 ALA N . 30478 1 264 . 1 1 30 30 ILE H H 1 7.268 0.000 . . . . . . A 22 ILE H . 30478 1 265 . 1 1 30 30 ILE HA H 1 4.059 0.000 . . . . . . A 22 ILE HA . 30478 1 266 . 1 1 30 30 ILE HB H 1 1.875 0.000 . . . . . . A 22 ILE HB . 30478 1 267 . 1 1 30 30 ILE HG12 H 1 1.092 0.000 . . . . . . A 22 ILE HG12 . 30478 1 268 . 1 1 30 30 ILE HG13 H 1 1.183 0.000 . . . . . . A 22 ILE HG13 . 30478 1 269 . 1 1 30 30 ILE HG21 H 1 0.519 0.000 . . . . . . A 22 ILE HG21 . 30478 1 270 . 1 1 30 30 ILE HG22 H 1 0.519 0.000 . . . . . . A 22 ILE HG22 . 30478 1 271 . 1 1 30 30 ILE HG23 H 1 0.519 0.000 . . . . . . A 22 ILE HG23 . 30478 1 272 . 1 1 30 30 ILE HD11 H 1 0.636 0.000 . . . . . . A 22 ILE HD11 . 30478 1 273 . 1 1 30 30 ILE HD12 H 1 0.636 0.000 . . . . . . A 22 ILE HD12 . 30478 1 274 . 1 1 30 30 ILE HD13 H 1 0.636 0.000 . . . . . . A 22 ILE HD13 . 30478 1 275 . 1 1 30 30 ILE CA C 13 60.714 0.000 . . . . . . A 22 ILE CA . 30478 1 276 . 1 1 30 30 ILE CB C 13 37.808 0.000 . . . . . . A 22 ILE CB . 30478 1 277 . 1 1 30 30 ILE CG1 C 13 27.216 0.000 . . . . . . A 22 ILE CG1 . 30478 1 278 . 1 1 30 30 ILE CG2 C 13 18.375 0.000 . . . . . . A 22 ILE CG2 . 30478 1 279 . 1 1 30 30 ILE CD1 C 13 14.498 0.000 . . . . . . A 22 ILE CD1 . 30478 1 280 . 1 1 30 30 ILE N N 15 108.816 0.000 . . . . . . A 22 ILE N . 30478 1 281 . 1 1 31 31 GLY H H 1 7.473 0.000 . . . . . . A 23 GLY H . 30478 1 282 . 1 1 31 31 GLY HA2 H 1 3.638 0.000 . . . . . . A 23 GLY HA2 . 30478 1 283 . 1 1 31 31 GLY HA3 H 1 4.045 0.000 . . . . . . A 23 GLY HA3 . 30478 1 284 . 1 1 31 31 GLY CA C 13 45.65 0.000 . . . . . . A 23 GLY CA . 30478 1 285 . 1 1 31 31 GLY N N 15 106.056 0.000 . . . . . . A 23 GLY N . 30478 1 286 . 1 1 32 32 LEU H H 1 7.628 0.000 . . . . . . A 24 LEU H . 30478 1 287 . 1 1 32 32 LEU HA H 1 4.406 0.000 . . . . . . A 24 LEU HA . 30478 1 288 . 1 1 32 32 LEU HB2 H 1 1.337 0.000 . . . . . . A 24 LEU HB2 . 30478 1 289 . 1 1 32 32 LEU HB3 H 1 1.209 0.000 . . . . . . A 24 LEU HB3 . 30478 1 290 . 1 1 32 32 LEU HG H 1 1.616 0.000 . . . . . . A 24 LEU HG . 30478 1 291 . 1 1 32 32 LEU HD11 H 1 0.836 0.000 . . . . . . A 24 LEU HD11 . 30478 1 292 . 1 1 32 32 LEU HD12 H 1 0.836 0.000 . . . . . . A 24 LEU HD12 . 30478 1 293 . 1 1 32 32 LEU HD13 H 1 0.836 0.000 . . . . . . A 24 LEU HD13 . 30478 1 294 . 1 1 32 32 LEU HD21 H 1 0.752 0.000 . . . . . . A 24 LEU HD21 . 30478 1 295 . 1 1 32 32 LEU HD22 H 1 0.752 0.000 . . . . . . A 24 LEU HD22 . 30478 1 296 . 1 1 32 32 LEU HD23 H 1 0.752 0.000 . . . . . . A 24 LEU HD23 . 30478 1 297 . 1 1 32 32 LEU CA C 13 53.248 0.000 . . . . . . A 24 LEU CA . 30478 1 298 . 1 1 32 32 LEU CB C 13 42.187 0.000 . . . . . . A 24 LEU CB . 30478 1 299 . 1 1 32 32 LEU CG C 13 27.178 0.000 . . . . . . A 24 LEU CG . 30478 1 300 . 1 1 32 32 LEU CD1 C 13 25.507 0.000 . . . . . . A 24 LEU CD1 . 30478 1 301 . 1 1 32 32 LEU CD2 C 13 24.002 0.000 . . . . . . A 24 LEU CD2 . 30478 1 302 . 1 1 32 32 LEU N N 15 120.976 0.000 . . . . . . A 24 LEU N . 30478 1 303 . 1 1 33 33 PRO HA H 1 4.379 0.000 . . . . . . A 25 PRO HA . 30478 1 304 . 1 1 33 33 PRO HB2 H 1 2.428 0.000 . . . . . . A 25 PRO HB2 . 30478 1 305 . 1 1 33 33 PRO HB3 H 1 1.898 0.000 . . . . . . A 25 PRO HB3 . 30478 1 306 . 1 1 33 33 PRO HG2 H 1 2.073 0.000 . . . . . . A 25 PRO HG2 . 30478 1 307 . 1 1 33 33 PRO HG3 H 1 2.045 0.000 . . . . . . A 25 PRO HG3 . 30478 1 308 . 1 1 33 33 PRO HD2 H 1 3.474 0.000 . . . . . . A 25 PRO HD2 . 30478 1 309 . 1 1 33 33 PRO HD3 H 1 3.959 0.000 . . . . . . A 25 PRO HD3 . 30478 1 310 . 1 1 33 33 PRO CA C 13 62.607 0.000 . . . . . . A 25 PRO CA . 30478 1 311 . 1 1 33 33 PRO CB C 13 32.744 0.000 . . . . . . A 25 PRO CB . 30478 1 312 . 1 1 33 33 PRO CG C 13 27.832 0.000 . . . . . . A 25 PRO CG . 30478 1 313 . 1 1 33 33 PRO CD C 13 50.599 0.000 . . . . . . A 25 PRO CD . 30478 1 314 . 1 1 34 34 GLU H H 1 8.706 0.000 . . . . . . A 26 GLU H . 30478 1 315 . 1 1 34 34 GLU HA H 1 3.809 0.000 . . . . . . A 26 GLU HA . 30478 1 316 . 1 1 34 34 GLU HB2 H 1 1.971 0.000 . . . . . . A 26 GLU HB2 . 30478 1 317 . 1 1 34 34 GLU HB3 H 1 2.05 0.000 . . . . . . A 26 GLU HB3 . 30478 1 318 . 1 1 34 34 GLU HG2 H 1 2.279 0.000 . . . . . . A 26 GLU HG2 . 30478 1 319 . 1 1 34 34 GLU HG3 H 1 2.279 0.000 . . . . . . A 26 GLU HG3 . 30478 1 320 . 1 1 34 34 GLU CA C 13 59.799 0.000 . . . . . . A 26 GLU CA . 30478 1 321 . 1 1 34 34 GLU CB C 13 29.582 0.000 . . . . . . A 26 GLU CB . 30478 1 322 . 1 1 34 34 GLU CG C 13 35.921 0.000 . . . . . . A 26 GLU CG . 30478 1 323 . 1 1 34 34 GLU N N 15 121.108 0.000 . . . . . . A 26 GLU N . 30478 1 324 . 1 1 35 35 GLU H H 1 9.215 0.000 . . . . . . A 27 GLU H . 30478 1 325 . 1 1 35 35 GLU HA H 1 4.071 0.000 . . . . . . A 27 GLU HA . 30478 1 326 . 1 1 35 35 GLU HB2 H 1 2.028 0.000 . . . . . . A 27 GLU HB2 . 30478 1 327 . 1 1 35 35 GLU HB3 H 1 1.929 0.000 . . . . . . A 27 GLU HB3 . 30478 1 328 . 1 1 35 35 GLU HG2 H 1 2.224 0.000 . . . . . . A 27 GLU HG2 . 30478 1 329 . 1 1 35 35 GLU HG3 H 1 2.273 0.000 . . . . . . A 27 GLU HG3 . 30478 1 330 . 1 1 35 35 GLU CA C 13 59.345 0.000 . . . . . . A 27 GLU CA . 30478 1 331 . 1 1 35 35 GLU CB C 13 29.084 0.000 . . . . . . A 27 GLU CB . 30478 1 332 . 1 1 35 35 GLU CG C 13 36.067 0.000 . . . . . . A 27 GLU CG . 30478 1 333 . 1 1 35 35 GLU N N 15 114.694 0.000 . . . . . . A 27 GLU N . 30478 1 334 . 1 1 36 36 LEU H H 1 7.186 0.000 . . . . . . A 28 LEU H . 30478 1 335 . 1 1 36 36 LEU HA H 1 4.211 0.000 . . . . . . A 28 LEU HA . 30478 1 336 . 1 1 36 36 LEU HB2 H 1 1.763 0.000 . . . . . . A 28 LEU HB2 . 30478 1 337 . 1 1 36 36 LEU HB3 H 1 1.553 0.000 . . . . . . A 28 LEU HB3 . 30478 1 338 . 1 1 36 36 LEU HG H 1 1.663 0.000 . . . . . . A 28 LEU HG . 30478 1 339 . 1 1 36 36 LEU HD11 H 1 0.856 0.000 . . . . . . A 28 LEU HD11 . 30478 1 340 . 1 1 36 36 LEU HD12 H 1 0.856 0.000 . . . . . . A 28 LEU HD12 . 30478 1 341 . 1 1 36 36 LEU HD13 H 1 0.856 0.000 . . . . . . A 28 LEU HD13 . 30478 1 342 . 1 1 36 36 LEU HD21 H 1 0.932 0.000 . . . . . . A 28 LEU HD21 . 30478 1 343 . 1 1 36 36 LEU HD22 H 1 0.932 0.000 . . . . . . A 28 LEU HD22 . 30478 1 344 . 1 1 36 36 LEU HD23 H 1 0.932 0.000 . . . . . . A 28 LEU HD23 . 30478 1 345 . 1 1 36 36 LEU CA C 13 56.58 0.000 . . . . . . A 28 LEU CA . 30478 1 346 . 1 1 36 36 LEU CB C 13 41.849 0.000 . . . . . . A 28 LEU CB . 30478 1 347 . 1 1 36 36 LEU CG C 13 27.588 0.000 . . . . . . A 28 LEU CG . 30478 1 348 . 1 1 36 36 LEU CD1 C 13 23.444 0.000 . . . . . . A 28 LEU CD1 . 30478 1 349 . 1 1 36 36 LEU CD2 C 13 25.098 0.000 . . . . . . A 28 LEU CD2 . 30478 1 350 . 1 1 36 36 LEU N N 15 115.131 0.000 . . . . . . A 28 LEU N . 30478 1 351 . 1 1 37 37 ILE H H 1 7.703 0.000 . . . . . . A 29 ILE H . 30478 1 352 . 1 1 37 37 ILE HA H 1 3.595 0.000 . . . . . . A 29 ILE HA . 30478 1 353 . 1 1 37 37 ILE HB H 1 2.001 0.000 . . . . . . A 29 ILE HB . 30478 1 354 . 1 1 37 37 ILE HG12 H 1 0.656 0.000 . . . . . . A 29 ILE HG12 . 30478 1 355 . 1 1 37 37 ILE HG13 H 1 0.455 0.000 . . . . . . A 29 ILE HG13 . 30478 1 356 . 1 1 37 37 ILE HG21 H 1 0.858 0.000 . . . . . . A 29 ILE HG21 . 30478 1 357 . 1 1 37 37 ILE HG22 H 1 0.858 0.000 . . . . . . A 29 ILE HG22 . 30478 1 358 . 1 1 37 37 ILE HG23 H 1 0.858 0.000 . . . . . . A 29 ILE HG23 . 30478 1 359 . 1 1 37 37 ILE HD11 H 1 0.656 0.000 . . . . . . A 29 ILE HD11 . 30478 1 360 . 1 1 37 37 ILE HD12 H 1 0.656 0.000 . . . . . . A 29 ILE HD12 . 30478 1 361 . 1 1 37 37 ILE HD13 H 1 0.656 0.000 . . . . . . A 29 ILE HD13 . 30478 1 362 . 1 1 37 37 ILE CA C 13 65.332 0.000 . . . . . . A 29 ILE CA . 30478 1 363 . 1 1 37 37 ILE CB C 13 37.864 0.000 . . . . . . A 29 ILE CB . 30478 1 364 . 1 1 37 37 ILE CG1 C 13 29.313 0.000 . . . . . . A 29 ILE CG1 . 30478 1 365 . 1 1 37 37 ILE CG2 C 13 17.818 0.000 . . . . . . A 29 ILE CG2 . 30478 1 366 . 1 1 37 37 ILE CD1 C 13 13.329 0.000 . . . . . . A 29 ILE CD1 . 30478 1 367 . 1 1 37 37 ILE N N 15 119.357 0.000 . . . . . . A 29 ILE N . 30478 1 368 . 1 1 38 38 GLN H H 1 8.151 0.000 . . . . . . A 30 GLN H . 30478 1 369 . 1 1 38 38 GLN HA H 1 3.932 0.000 . . . . . . A 30 GLN HA . 30478 1 370 . 1 1 38 38 GLN HB2 H 1 2.055 0.000 . . . . . . A 30 GLN HB2 . 30478 1 371 . 1 1 38 38 GLN HB3 H 1 2.111 0.000 . . . . . . A 30 GLN HB3 . 30478 1 372 . 1 1 38 38 GLN HG2 H 1 2.439 0.000 . . . . . . A 30 GLN HG2 . 30478 1 373 . 1 1 38 38 GLN HG3 H 1 2.439 0.000 . . . . . . A 30 GLN HG3 . 30478 1 374 . 1 1 38 38 GLN HE21 H 1 6.838 0.000 . . . . . . A 30 GLN HE21 . 30478 1 375 . 1 1 38 38 GLN HE22 H 1 7.543 0.000 . . . . . . A 30 GLN HE22 . 30478 1 376 . 1 1 38 38 GLN CA C 13 58.123 0.000 . . . . . . A 30 GLN CA . 30478 1 377 . 1 1 38 38 GLN CB C 13 28.249 0.000 . . . . . . A 30 GLN CB . 30478 1 378 . 1 1 38 38 GLN CG C 13 33.526 0.000 . . . . . . A 30 GLN CG . 30478 1 379 . 1 1 38 38 GLN N N 15 114.353 0.000 . . . . . . A 30 GLN N . 30478 1 380 . 1 1 38 38 GLN NE2 N 15 110.029 0.000 . . . . . . A 30 GLN NE2 . 30478 1 381 . 1 1 39 39 LYS H H 1 7.52 0.000 . . . . . . A 31 LYS H . 30478 1 382 . 1 1 39 39 LYS HA H 1 4.179 0.000 . . . . . . A 31 LYS HA . 30478 1 383 . 1 1 39 39 LYS HB2 H 1 1.855 0.000 . . . . . . A 31 LYS HB2 . 30478 1 384 . 1 1 39 39 LYS HB3 H 1 1.855 0.000 . . . . . . A 31 LYS HB3 . 30478 1 385 . 1 1 39 39 LYS HG2 H 1 1.491 0.000 . . . . . . A 31 LYS HG2 . 30478 1 386 . 1 1 39 39 LYS HG3 H 1 1.623 0.000 . . . . . . A 31 LYS HG3 . 30478 1 387 . 1 1 39 39 LYS HD2 H 1 1.633 0.000 . . . . . . A 31 LYS HD2 . 30478 1 388 . 1 1 39 39 LYS HD3 H 1 1.633 0.000 . . . . . . A 31 LYS HD3 . 30478 1 389 . 1 1 39 39 LYS HE2 H 1 2.949 0.000 . . . . . . A 31 LYS HE2 . 30478 1 390 . 1 1 39 39 LYS HE3 H 1 2.949 0.000 . . . . . . A 31 LYS HE3 . 30478 1 391 . 1 1 39 39 LYS CA C 13 57.876 0.000 . . . . . . A 31 LYS CA . 30478 1 392 . 1 1 39 39 LYS CB C 13 33.029 0.000 . . . . . . A 31 LYS CB . 30478 1 393 . 1 1 39 39 LYS CG C 13 25.441 0.000 . . . . . . A 31 LYS CG . 30478 1 394 . 1 1 39 39 LYS CD C 13 29.163 0.000 . . . . . . A 31 LYS CD . 30478 1 395 . 1 1 39 39 LYS CE C 13 42.237 0.000 . . . . . . A 31 LYS CE . 30478 1 396 . 1 1 39 39 LYS N N 15 114.114 0.000 . . . . . . A 31 LYS N . 30478 1 397 . 1 1 40 40 GLY H H 1 7.904 0.000 . . . . . . A 32 GLY H . 30478 1 398 . 1 1 40 40 GLY HA2 H 1 3.704 0.000 . . . . . . A 32 GLY HA2 . 30478 1 399 . 1 1 40 40 GLY HA3 H 1 4.066 0.000 . . . . . . A 32 GLY HA3 . 30478 1 400 . 1 1 40 40 GLY CA C 13 46.036 0.000 . . . . . . A 32 GLY CA . 30478 1 401 . 1 1 40 40 GLY N N 15 103.309 0.000 . . . . . . A 32 GLY N . 30478 1 402 . 1 1 41 41 LYS H H 1 7.447 0.000 . . . . . . A 33 LYS H . 30478 1 403 . 1 1 41 41 LYS HA H 1 3.338 0.000 . . . . . . A 33 LYS HA . 30478 1 404 . 1 1 41 41 LYS HB2 H 1 1.754 0.000 . . . . . . A 33 LYS HB2 . 30478 1 405 . 1 1 41 41 LYS HB3 H 1 1.754 0.000 . . . . . . A 33 LYS HB3 . 30478 1 406 . 1 1 41 41 LYS HG2 H 1 1.417 0.000 . . . . . . A 33 LYS HG2 . 30478 1 407 . 1 1 41 41 LYS HG3 H 1 1.351 0.000 . . . . . . A 33 LYS HG3 . 30478 1 408 . 1 1 41 41 LYS HD2 H 1 1.624 0.000 . . . . . . A 33 LYS HD2 . 30478 1 409 . 1 1 41 41 LYS HD3 H 1 1.624 0.000 . . . . . . A 33 LYS HD3 . 30478 1 410 . 1 1 41 41 LYS HE2 H 1 2.982 0.000 . . . . . . A 33 LYS HE2 . 30478 1 411 . 1 1 41 41 LYS HE3 H 1 2.982 0.000 . . . . . . A 33 LYS HE3 . 30478 1 412 . 1 1 41 41 LYS CA C 13 57.912 0.000 . . . . . . A 33 LYS CA . 30478 1 413 . 1 1 41 41 LYS CB C 13 32.438 0.000 . . . . . . A 33 LYS CB . 30478 1 414 . 1 1 41 41 LYS CG C 13 24.163 0.000 . . . . . . A 33 LYS CG . 30478 1 415 . 1 1 41 41 LYS CD C 13 29.923 0.000 . . . . . . A 33 LYS CD . 30478 1 416 . 1 1 41 41 LYS CE C 13 42.23 0.000 . . . . . . A 33 LYS CE . 30478 1 417 . 1 1 41 41 LYS N N 15 116.249 0.000 . . . . . . A 33 LYS N . 30478 1 418 . 1 1 42 42 ASP H H 1 7.672 0.000 . . . . . . A 34 ASP H . 30478 1 419 . 1 1 42 42 ASP HA H 1 4.65 0.000 . . . . . . A 34 ASP HA . 30478 1 420 . 1 1 42 42 ASP HB2 H 1 2.713 0.000 . . . . . . A 34 ASP HB2 . 30478 1 421 . 1 1 42 42 ASP HB3 H 1 2.481 0.000 . . . . . . A 34 ASP HB3 . 30478 1 422 . 1 1 42 42 ASP CA C 13 54.045 0.000 . . . . . . A 34 ASP CA . 30478 1 423 . 1 1 42 42 ASP CB C 13 41.491 0.000 . . . . . . A 34 ASP CB . 30478 1 424 . 1 1 42 42 ASP N N 15 115.704 0.000 . . . . . . A 34 ASP N . 30478 1 425 . 1 1 43 43 ILE H H 1 7.394 0.000 . . . . . . A 35 ILE H . 30478 1 426 . 1 1 43 43 ILE HA H 1 3.98 0.000 . . . . . . A 35 ILE HA . 30478 1 427 . 1 1 43 43 ILE HB H 1 1.858 0.000 . . . . . . A 35 ILE HB . 30478 1 428 . 1 1 43 43 ILE HG12 H 1 1.199 0.000 . . . . . . A 35 ILE HG12 . 30478 1 429 . 1 1 43 43 ILE HG13 H 1 1.478 0.000 . . . . . . A 35 ILE HG13 . 30478 1 430 . 1 1 43 43 ILE HG21 H 1 0.777 0.000 . . . . . . A 35 ILE HG21 . 30478 1 431 . 1 1 43 43 ILE HG22 H 1 0.777 0.000 . . . . . . A 35 ILE HG22 . 30478 1 432 . 1 1 43 43 ILE HG23 H 1 0.777 0.000 . . . . . . A 35 ILE HG23 . 30478 1 433 . 1 1 43 43 ILE HD11 H 1 0.789 0.000 . . . . . . A 35 ILE HD11 . 30478 1 434 . 1 1 43 43 ILE HD12 H 1 0.789 0.000 . . . . . . A 35 ILE HD12 . 30478 1 435 . 1 1 43 43 ILE HD13 H 1 0.789 0.000 . . . . . . A 35 ILE HD13 . 30478 1 436 . 1 1 43 43 ILE CA C 13 60.796 0.000 . . . . . . A 35 ILE CA . 30478 1 437 . 1 1 43 43 ILE CB C 13 37.596 0.000 . . . . . . A 35 ILE CB . 30478 1 438 . 1 1 43 43 ILE CG1 C 13 27.236 0.000 . . . . . . A 35 ILE CG1 . 30478 1 439 . 1 1 43 43 ILE CG2 C 13 17.558 0.000 . . . . . . A 35 ILE CG2 . 30478 1 440 . 1 1 43 43 ILE CD1 C 13 12.586 0.000 . . . . . . A 35 ILE CD1 . 30478 1 441 . 1 1 43 43 ILE N N 15 117.65 0.000 . . . . . . A 35 ILE N . 30478 1 442 . 1 1 44 44 LYS H H 1 8.254 0.000 . . . . . . A 36 LYS H . 30478 1 443 . 1 1 44 44 LYS HA H 1 4.503 0.000 . . . . . . A 36 LYS HA . 30478 1 444 . 1 1 44 44 LYS HB2 H 1 1.845 0.000 . . . . . . A 36 LYS HB2 . 30478 1 445 . 1 1 44 44 LYS HB3 H 1 1.783 0.000 . . . . . . A 36 LYS HB3 . 30478 1 446 . 1 1 44 44 LYS HG2 H 1 1.345 0.000 . . . . . . A 36 LYS HG2 . 30478 1 447 . 1 1 44 44 LYS HG3 H 1 1.272 0.000 . . . . . . A 36 LYS HG3 . 30478 1 448 . 1 1 44 44 LYS HD2 H 1 1.648 0.000 . . . . . . A 36 LYS HD2 . 30478 1 449 . 1 1 44 44 LYS HD3 H 1 1.648 0.000 . . . . . . A 36 LYS HD3 . 30478 1 450 . 1 1 44 44 LYS CA C 13 55.474 0.000 . . . . . . A 36 LYS CA . 30478 1 451 . 1 1 44 44 LYS CB C 13 33.036 0.000 . . . . . . A 36 LYS CB . 30478 1 452 . 1 1 44 44 LYS CG C 13 24.535 0.000 . . . . . . A 36 LYS CG . 30478 1 453 . 1 1 44 44 LYS CD C 13 29.048 0.000 . . . . . . A 36 LYS CD . 30478 1 454 . 1 1 44 44 LYS N N 15 124.158 0.000 . . . . . . A 36 LYS N . 30478 1 455 . 1 1 45 45 GLY H H 1 8.017 0.000 . . . . . . A 37 GLY H . 30478 1 456 . 1 1 45 45 GLY HA2 H 1 4.081 0.000 . . . . . . A 37 GLY HA2 . 30478 1 457 . 1 1 45 45 GLY HA3 H 1 4.261 0.000 . . . . . . A 37 GLY HA3 . 30478 1 458 . 1 1 45 45 GLY CA C 13 45.481 0.000 . . . . . . A 37 GLY CA . 30478 1 459 . 1 1 45 45 GLY N N 15 107.972 0.000 . . . . . . A 37 GLY N . 30478 1 460 . 1 1 46 46 VAL H H 1 7.924 0.000 . . . . . . A 38 VAL H . 30478 1 461 . 1 1 46 46 VAL HA H 1 5.029 0.000 . . . . . . A 38 VAL HA . 30478 1 462 . 1 1 46 46 VAL HB H 1 2.011 0.000 . . . . . . A 38 VAL HB . 30478 1 463 . 1 1 46 46 VAL HG11 H 1 0.93 0.000 . . . . . . A 38 VAL HG11 . 30478 1 464 . 1 1 46 46 VAL HG12 H 1 0.93 0.000 . . . . . . A 38 VAL HG12 . 30478 1 465 . 1 1 46 46 VAL HG13 H 1 0.93 0.000 . . . . . . A 38 VAL HG13 . 30478 1 466 . 1 1 46 46 VAL HG21 H 1 0.93 0.000 . . . . . . A 38 VAL HG21 . 30478 1 467 . 1 1 46 46 VAL HG22 H 1 0.93 0.000 . . . . . . A 38 VAL HG22 . 30478 1 468 . 1 1 46 46 VAL HG23 H 1 0.93 0.000 . . . . . . A 38 VAL HG23 . 30478 1 469 . 1 1 46 46 VAL CA C 13 60.806 0.000 . . . . . . A 38 VAL CA . 30478 1 470 . 1 1 46 46 VAL CB C 13 35.083 0.000 . . . . . . A 38 VAL CB . 30478 1 471 . 1 1 46 46 VAL CG1 C 13 21.146 0.000 . . . . . . A 38 VAL CG1 . 30478 1 472 . 1 1 46 46 VAL CG2 C 13 21.144 0.000 . . . . . . A 38 VAL CG2 . 30478 1 473 . 1 1 46 46 VAL N N 15 116.834 0.000 . . . . . . A 38 VAL N . 30478 1 474 . 1 1 47 47 SER H H 1 9.088 0.000 . . . . . . A 39 SER H . 30478 1 475 . 1 1 47 47 SER HA H 1 5.518 0.000 . . . . . . A 39 SER HA . 30478 1 476 . 1 1 47 47 SER HB2 H 1 4.097 0.000 . . . . . . A 39 SER HB2 . 30478 1 477 . 1 1 47 47 SER HB3 H 1 3.959 0.000 . . . . . . A 39 SER HB3 . 30478 1 478 . 1 1 47 47 SER CA C 13 56.777 0.000 . . . . . . A 39 SER CA . 30478 1 479 . 1 1 47 47 SER CB C 13 66.689 0.000 . . . . . . A 39 SER CB . 30478 1 480 . 1 1 47 47 SER N N 15 120.879 0.000 . . . . . . A 39 SER N . 30478 1 481 . 1 1 48 48 GLU H H 1 9.375 0.000 . . . . . . A 40 GLU H . 30478 1 482 . 1 1 48 48 GLU HA H 1 5.376 0.000 . . . . . . A 40 GLU HA . 30478 1 483 . 1 1 48 48 GLU HB2 H 1 2.013 0.000 . . . . . . A 40 GLU HB2 . 30478 1 484 . 1 1 48 48 GLU HB3 H 1 1.877 0.000 . . . . . . A 40 GLU HB3 . 30478 1 485 . 1 1 48 48 GLU HG2 H 1 1.969 0.000 . . . . . . A 40 GLU HG2 . 30478 1 486 . 1 1 48 48 GLU HG3 H 1 2.176 0.000 . . . . . . A 40 GLU HG3 . 30478 1 487 . 1 1 48 48 GLU CA C 13 54.78 0.000 . . . . . . A 40 GLU CA . 30478 1 488 . 1 1 48 48 GLU CB C 13 33.385 0.000 . . . . . . A 40 GLU CB . 30478 1 489 . 1 1 48 48 GLU CG C 13 36.883 0.000 . . . . . . A 40 GLU CG . 30478 1 490 . 1 1 48 48 GLU N N 15 120.786 0.000 . . . . . . A 40 GLU N . 30478 1 491 . 1 1 49 49 ILE H H 1 9.307 0.000 . . . . . . A 41 ILE H . 30478 1 492 . 1 1 49 49 ILE HA H 1 4.718 0.000 . . . . . . A 41 ILE HA . 30478 1 493 . 1 1 49 49 ILE HB H 1 1.934 0.000 . . . . . . A 41 ILE HB . 30478 1 494 . 1 1 49 49 ILE HG12 H 1 1.327 0.000 . . . . . . A 41 ILE HG12 . 30478 1 495 . 1 1 49 49 ILE HG13 H 1 -0.123 0.000 . . . . . . A 41 ILE HG13 . 30478 1 496 . 1 1 49 49 ILE HG21 H 1 0.259 0.000 . . . . . . A 41 ILE HG21 . 30478 1 497 . 1 1 49 49 ILE HG22 H 1 0.259 0.000 . . . . . . A 41 ILE HG22 . 30478 1 498 . 1 1 49 49 ILE HG23 H 1 0.259 0.000 . . . . . . A 41 ILE HG23 . 30478 1 499 . 1 1 49 49 ILE HD11 H 1 0.62 0.000 . . . . . . A 41 ILE HD11 . 30478 1 500 . 1 1 49 49 ILE HD12 H 1 0.62 0.000 . . . . . . A 41 ILE HD12 . 30478 1 501 . 1 1 49 49 ILE HD13 H 1 0.62 0.000 . . . . . . A 41 ILE HD13 . 30478 1 502 . 1 1 49 49 ILE CA C 13 59.873 0.000 . . . . . . A 41 ILE CA . 30478 1 503 . 1 1 49 49 ILE CB C 13 39.954 0.000 . . . . . . A 41 ILE CB . 30478 1 504 . 1 1 49 49 ILE CG1 C 13 25.536 0.000 . . . . . . A 41 ILE CG1 . 30478 1 505 . 1 1 49 49 ILE CG2 C 13 17.205 0.000 . . . . . . A 41 ILE CG2 . 30478 1 506 . 1 1 49 49 ILE CD1 C 13 15.135 0.000 . . . . . . A 41 ILE CD1 . 30478 1 507 . 1 1 49 49 ILE N N 15 122.38 0.000 . . . . . . A 41 ILE N . 30478 1 508 . 1 1 50 50 VAL H H 1 9.047 0.000 . . . . . . A 42 VAL H . 30478 1 509 . 1 1 50 50 VAL HA H 1 4.112 0.000 . . . . . . A 42 VAL HA . 30478 1 510 . 1 1 50 50 VAL HB H 1 1.88 0.000 . . . . . . A 42 VAL HB . 30478 1 511 . 1 1 50 50 VAL HG11 H 1 0.774 0.000 . . . . . . A 42 VAL HG11 . 30478 1 512 . 1 1 50 50 VAL HG12 H 1 0.774 0.000 . . . . . . A 42 VAL HG12 . 30478 1 513 . 1 1 50 50 VAL HG13 H 1 0.774 0.000 . . . . . . A 42 VAL HG13 . 30478 1 514 . 1 1 50 50 VAL HG21 H 1 0.865 0.000 . . . . . . A 42 VAL HG21 . 30478 1 515 . 1 1 50 50 VAL HG22 H 1 0.865 0.000 . . . . . . A 42 VAL HG22 . 30478 1 516 . 1 1 50 50 VAL HG23 H 1 0.865 0.000 . . . . . . A 42 VAL HG23 . 30478 1 517 . 1 1 50 50 VAL CA C 13 62.241 0.000 . . . . . . A 42 VAL CA . 30478 1 518 . 1 1 50 50 VAL CB C 13 34.264 0.000 . . . . . . A 42 VAL CB . 30478 1 519 . 1 1 50 50 VAL CG1 C 13 21.071 0.000 . . . . . . A 42 VAL CG1 . 30478 1 520 . 1 1 50 50 VAL CG2 C 13 20.55 0.000 . . . . . . A 42 VAL CG2 . 30478 1 521 . 1 1 50 50 VAL N N 15 125.628 0.000 . . . . . . A 42 VAL N . 30478 1 522 . 1 1 51 51 GLN H H 1 8.629 0.000 . . . . . . A 43 GLN H . 30478 1 523 . 1 1 51 51 GLN HA H 1 4.347 0.000 . . . . . . A 43 GLN HA . 30478 1 524 . 1 1 51 51 GLN HB2 H 1 1.872 0.000 . . . . . . A 43 GLN HB2 . 30478 1 525 . 1 1 51 51 GLN HB3 H 1 1.136 0.000 . . . . . . A 43 GLN HB3 . 30478 1 526 . 1 1 51 51 GLN HG2 H 1 1.81 0.000 . . . . . . A 43 GLN HG2 . 30478 1 527 . 1 1 51 51 GLN HG3 H 1 0.826 0.000 . . . . . . A 43 GLN HG3 . 30478 1 528 . 1 1 51 51 GLN HE21 H 1 7.293 0.000 . . . . . . A 43 GLN HE21 . 30478 1 529 . 1 1 51 51 GLN HE22 H 1 7.004 0.000 . . . . . . A 43 GLN HE22 . 30478 1 530 . 1 1 51 51 GLN CA C 13 53.562 0.000 . . . . . . A 43 GLN CA . 30478 1 531 . 1 1 51 51 GLN CB C 13 30.1 0.000 . . . . . . A 43 GLN CB . 30478 1 532 . 1 1 51 51 GLN CG C 13 32.232 0.000 . . . . . . A 43 GLN CG . 30478 1 533 . 1 1 51 51 GLN N N 15 128.479 0.000 . . . . . . A 43 GLN N . 30478 1 534 . 1 1 51 51 GLN NE2 N 15 104.136 0.000 . . . . . . A 43 GLN NE2 . 30478 1 535 . 1 1 52 52 ASN H H 1 8.841 0.000 . . . . . . A 44 ASN H . 30478 1 536 . 1 1 52 52 ASN HA H 1 4.761 0.000 . . . . . . A 44 ASN HA . 30478 1 537 . 1 1 52 52 ASN HB2 H 1 2.479 0.000 . . . . . . A 44 ASN HB2 . 30478 1 538 . 1 1 52 52 ASN HB3 H 1 2.713 0.000 . . . . . . A 44 ASN HB3 . 30478 1 539 . 1 1 52 52 ASN HD21 H 1 6.688 0.000 . . . . . . A 44 ASN HD21 . 30478 1 540 . 1 1 52 52 ASN HD22 H 1 7.492 0.000 . . . . . . A 44 ASN HD22 . 30478 1 541 . 1 1 52 52 ASN CA C 13 52.001 0.000 . . . . . . A 44 ASN CA . 30478 1 542 . 1 1 52 52 ASN CB C 13 39.732 0.000 . . . . . . A 44 ASN CB . 30478 1 543 . 1 1 52 52 ASN N N 15 124.193 0.000 . . . . . . A 44 ASN N . 30478 1 544 . 1 1 52 52 ASN ND2 N 15 109.498 0.000 . . . . . . A 44 ASN ND2 . 30478 1 545 . 1 1 53 53 GLY H H 1 9.071 0.000 . . . . . . A 45 GLY H . 30478 1 546 . 1 1 53 53 GLY HA2 H 1 3.978 0.000 . . . . . . A 45 GLY HA2 . 30478 1 547 . 1 1 53 53 GLY HA3 H 1 3.595 0.000 . . . . . . A 45 GLY HA3 . 30478 1 548 . 1 1 53 53 GLY CA C 13 47.574 0.000 . . . . . . A 45 GLY CA . 30478 1 549 . 1 1 53 53 GLY N N 15 113.396 0.000 . . . . . . A 45 GLY N . 30478 1 550 . 1 1 54 54 LYS H H 1 8.704 0.000 . . . . . . A 46 LYS H . 30478 1 551 . 1 1 54 54 LYS HA H 1 4.318 0.000 . . . . . . A 46 LYS HA . 30478 1 552 . 1 1 54 54 LYS HB2 H 1 2.25 0.000 . . . . . . A 46 LYS HB2 . 30478 1 553 . 1 1 54 54 LYS HB3 H 1 1.772 0.000 . . . . . . A 46 LYS HB3 . 30478 1 554 . 1 1 54 54 LYS HG2 H 1 1.62 0.000 . . . . . . A 46 LYS HG2 . 30478 1 555 . 1 1 54 54 LYS HG3 H 1 1.381 0.000 . . . . . . A 46 LYS HG3 . 30478 1 556 . 1 1 54 54 LYS HD2 H 1 1.713 0.000 . . . . . . A 46 LYS HD2 . 30478 1 557 . 1 1 54 54 LYS HD3 H 1 1.713 0.000 . . . . . . A 46 LYS HD3 . 30478 1 558 . 1 1 54 54 LYS HE2 H 1 3.005 0.000 . . . . . . A 46 LYS HE2 . 30478 1 559 . 1 1 54 54 LYS HE3 H 1 3.005 0.000 . . . . . . A 46 LYS HE3 . 30478 1 560 . 1 1 54 54 LYS CA C 13 56.348 0.000 . . . . . . A 46 LYS CA . 30478 1 561 . 1 1 54 54 LYS CB C 13 33.479 0.000 . . . . . . A 46 LYS CB . 30478 1 562 . 1 1 54 54 LYS CG C 13 25.807 0.000 . . . . . . A 46 LYS CG . 30478 1 563 . 1 1 54 54 LYS CD C 13 29.3 0.000 . . . . . . A 46 LYS CD . 30478 1 564 . 1 1 54 54 LYS CE C 13 42.168 0.000 . . . . . . A 46 LYS CE . 30478 1 565 . 1 1 54 54 LYS N N 15 123.29 0.000 . . . . . . A 46 LYS N . 30478 1 566 . 1 1 55 55 HIS H H 1 8.081 0.000 . . . . . . A 47 HIS H . 30478 1 567 . 1 1 55 55 HIS HA H 1 5.144 0.000 . . . . . . A 47 HIS HA . 30478 1 568 . 1 1 55 55 HIS HB2 H 1 3.303 0.000 . . . . . . A 47 HIS HB2 . 30478 1 569 . 1 1 55 55 HIS HB3 H 1 3.112 0.000 . . . . . . A 47 HIS HB3 . 30478 1 570 . 1 1 55 55 HIS HD2 H 1 7.181 0.000 . . . . . . A 47 HIS HD2 . 30478 1 571 . 1 1 55 55 HIS HE1 H 1 8.436 0.000 . . . . . . A 47 HIS HE1 . 30478 1 572 . 1 1 55 55 HIS CA C 13 55.155 0.000 . . . . . . A 47 HIS CA . 30478 1 573 . 1 1 55 55 HIS CB C 13 30.367 0.000 . . . . . . A 47 HIS CB . 30478 1 574 . 1 1 55 55 HIS CD2 C 13 120.2 0.000 . . . . . . A 47 HIS CD2 . 30478 1 575 . 1 1 55 55 HIS CE1 C 13 136.5 0.000 . . . . . . A 47 HIS CE1 . 30478 1 576 . 1 1 55 55 HIS N N 15 117.074 0.000 . . . . . . A 47 HIS N . 30478 1 577 . 1 1 56 56 PHE H H 1 8.679 0.000 . . . . . . A 48 PHE H . 30478 1 578 . 1 1 56 56 PHE HA H 1 4.812 0.000 . . . . . . A 48 PHE HA . 30478 1 579 . 1 1 56 56 PHE HB2 H 1 1.391 0.000 . . . . . . A 48 PHE HB2 . 30478 1 580 . 1 1 56 56 PHE HB3 H 1 2.158 0.000 . . . . . . A 48 PHE HB3 . 30478 1 581 . 1 1 56 56 PHE HD1 H 1 7.139 0.000 . . . . . . A 48 PHE HD1 . 30478 1 582 . 1 1 56 56 PHE HD2 H 1 7.139 0.000 . . . . . . A 48 PHE HD2 . 30478 1 583 . 1 1 56 56 PHE HE1 H 1 6.68 0.000 . . . . . . A 48 PHE HE1 . 30478 1 584 . 1 1 56 56 PHE HE2 H 1 6.68 0.000 . . . . . . A 48 PHE HE2 . 30478 1 585 . 1 1 56 56 PHE HZ H 1 6.71 0.000 . . . . . . A 48 PHE HZ . 30478 1 586 . 1 1 56 56 PHE CA C 13 56.694 0.000 . . . . . . A 48 PHE CA . 30478 1 587 . 1 1 56 56 PHE CB C 13 44.275 0.000 . . . . . . A 48 PHE CB . 30478 1 588 . 1 1 56 56 PHE CD1 C 13 132.087 0.000 . . . . . . A 48 PHE CD1 . 30478 1 589 . 1 1 56 56 PHE CD2 C 13 132.09 0.000 . . . . . . A 48 PHE CD2 . 30478 1 590 . 1 1 56 56 PHE CE1 C 13 130.971 0.000 . . . . . . A 48 PHE CE1 . 30478 1 591 . 1 1 56 56 PHE CE2 C 13 130.97 0.000 . . . . . . A 48 PHE CE2 . 30478 1 592 . 1 1 56 56 PHE CZ C 13 128.946 0.000 . . . . . . A 48 PHE CZ . 30478 1 593 . 1 1 56 56 PHE N N 15 122.011 0.000 . . . . . . A 48 PHE N . 30478 1 594 . 1 1 57 57 LYS H H 1 8.388 0.000 . . . . . . A 49 LYS H . 30478 1 595 . 1 1 57 57 LYS HA H 1 5.012 0.000 . . . . . . A 49 LYS HA . 30478 1 596 . 1 1 57 57 LYS HB2 H 1 1.782 0.000 . . . . . . A 49 LYS HB2 . 30478 1 597 . 1 1 57 57 LYS HB3 H 1 1.546 0.000 . . . . . . A 49 LYS HB3 . 30478 1 598 . 1 1 57 57 LYS HG2 H 1 1.287 0.000 . . . . . . A 49 LYS HG2 . 30478 1 599 . 1 1 57 57 LYS HG3 H 1 1.287 0.000 . . . . . . A 49 LYS HG3 . 30478 1 600 . 1 1 57 57 LYS CA C 13 55.383 0.000 . . . . . . A 49 LYS CA . 30478 1 601 . 1 1 57 57 LYS CB C 13 35.968 0.000 . . . . . . A 49 LYS CB . 30478 1 602 . 1 1 57 57 LYS CG C 13 25.168 0.000 . . . . . . A 49 LYS CG . 30478 1 603 . 1 1 57 57 LYS N N 15 116.458 0.000 . . . . . . A 49 LYS N . 30478 1 604 . 1 1 58 58 PHE H H 1 9.44 0.000 . . . . . . A 50 PHE H . 30478 1 605 . 1 1 58 58 PHE HA H 1 5.28 0.000 . . . . . . A 50 PHE HA . 30478 1 606 . 1 1 58 58 PHE HB2 H 1 2.929 0.000 . . . . . . A 50 PHE HB2 . 30478 1 607 . 1 1 58 58 PHE HB3 H 1 2.666 0.000 . . . . . . A 50 PHE HB3 . 30478 1 608 . 1 1 58 58 PHE HD1 H 1 7.046 0.000 . . . . . . A 50 PHE HD1 . 30478 1 609 . 1 1 58 58 PHE HD2 H 1 7.046 0.000 . . . . . . A 50 PHE HD2 . 30478 1 610 . 1 1 58 58 PHE CA C 13 56.692 0.000 . . . . . . A 50 PHE CA . 30478 1 611 . 1 1 58 58 PHE CB C 13 43.859 0.000 . . . . . . A 50 PHE CB . 30478 1 612 . 1 1 58 58 PHE CD1 C 13 131.02 0.000 . . . . . . A 50 PHE CD1 . 30478 1 613 . 1 1 58 58 PHE CD2 C 13 131.02 0.000 . . . . . . A 50 PHE CD2 . 30478 1 614 . 1 1 58 58 PHE N N 15 123.885 0.000 . . . . . . A 50 PHE N . 30478 1 615 . 1 1 59 59 THR H H 1 9.444 0.000 . . . . . . A 51 THR H . 30478 1 616 . 1 1 59 59 THR HA H 1 5.034 0.000 . . . . . . A 51 THR HA . 30478 1 617 . 1 1 59 59 THR HB H 1 4.054 0.000 . . . . . . A 51 THR HB . 30478 1 618 . 1 1 59 59 THR HG21 H 1 1.123 0.000 . . . . . . A 51 THR HG21 . 30478 1 619 . 1 1 59 59 THR HG22 H 1 1.123 0.000 . . . . . . A 51 THR HG22 . 30478 1 620 . 1 1 59 59 THR HG23 H 1 1.123 0.000 . . . . . . A 51 THR HG23 . 30478 1 621 . 1 1 59 59 THR CA C 13 62.43 0.000 . . . . . . A 51 THR CA . 30478 1 622 . 1 1 59 59 THR CB C 13 69.969 0.000 . . . . . . A 51 THR CB . 30478 1 623 . 1 1 59 59 THR CG2 C 13 21.93 0.000 . . . . . . A 51 THR CG2 . 30478 1 624 . 1 1 59 59 THR N N 15 119.252 0.000 . . . . . . A 51 THR N . 30478 1 625 . 1 1 60 60 ILE H H 1 9.098 0.000 . . . . . . A 52 ILE H . 30478 1 626 . 1 1 60 60 ILE HA H 1 4.718 0.000 . . . . . . A 52 ILE HA . 30478 1 627 . 1 1 60 60 ILE HB H 1 1.666 0.000 . . . . . . A 52 ILE HB . 30478 1 628 . 1 1 60 60 ILE HG12 H 1 1.302 0.000 . . . . . . A 52 ILE HG12 . 30478 1 629 . 1 1 60 60 ILE HG13 H 1 1.45 0.000 . . . . . . A 52 ILE HG13 . 30478 1 630 . 1 1 60 60 ILE HG21 H 1 0.905 0.000 . . . . . . A 52 ILE HG21 . 30478 1 631 . 1 1 60 60 ILE HG22 H 1 0.905 0.000 . . . . . . A 52 ILE HG22 . 30478 1 632 . 1 1 60 60 ILE HG23 H 1 0.905 0.000 . . . . . . A 52 ILE HG23 . 30478 1 633 . 1 1 60 60 ILE HD11 H 1 0.363 0.000 . . . . . . A 52 ILE HD11 . 30478 1 634 . 1 1 60 60 ILE HD12 H 1 0.363 0.000 . . . . . . A 52 ILE HD12 . 30478 1 635 . 1 1 60 60 ILE HD13 H 1 0.363 0.000 . . . . . . A 52 ILE HD13 . 30478 1 636 . 1 1 60 60 ILE CA C 13 60.202 0.000 . . . . . . A 52 ILE CA . 30478 1 637 . 1 1 60 60 ILE CB C 13 42.39 0.000 . . . . . . A 52 ILE CB . 30478 1 638 . 1 1 60 60 ILE CG1 C 13 26.869 0.000 . . . . . . A 52 ILE CG1 . 30478 1 639 . 1 1 60 60 ILE CG2 C 13 17.031 0.000 . . . . . . A 52 ILE CG2 . 30478 1 640 . 1 1 60 60 ILE CD1 C 13 15.14 0.000 . . . . . . A 52 ILE CD1 . 30478 1 641 . 1 1 60 60 ILE N N 15 124.494 0.000 . . . . . . A 52 ILE N . 30478 1 642 . 1 1 61 61 THR H H 1 8.673 0.000 . . . . . . A 53 THR H . 30478 1 643 . 1 1 61 61 THR HA H 1 4.818 0.000 . . . . . . A 53 THR HA . 30478 1 644 . 1 1 61 61 THR HB H 1 4.129 0.000 . . . . . . A 53 THR HB . 30478 1 645 . 1 1 61 61 THR HG21 H 1 1.171 0.000 . . . . . . A 53 THR HG21 . 30478 1 646 . 1 1 61 61 THR HG22 H 1 1.171 0.000 . . . . . . A 53 THR HG22 . 30478 1 647 . 1 1 61 61 THR HG23 H 1 1.171 0.000 . . . . . . A 53 THR HG23 . 30478 1 648 . 1 1 61 61 THR CA C 13 62.154 0.000 . . . . . . A 53 THR CA . 30478 1 649 . 1 1 61 61 THR CB C 13 69.325 0.000 . . . . . . A 53 THR CB . 30478 1 650 . 1 1 61 61 THR CG2 C 13 21.548 0.000 . . . . . . A 53 THR CG2 . 30478 1 651 . 1 1 61 61 THR N N 15 119.329 0.000 . . . . . . A 53 THR N . 30478 1 652 . 1 1 62 62 ALA H H 1 8.714 0.000 . . . . . . A 54 ALA H . 30478 1 653 . 1 1 62 62 ALA HA H 1 4.607 0.000 . . . . . . A 54 ALA HA . 30478 1 654 . 1 1 62 62 ALA HB1 H 1 1.269 0.000 . . . . . . A 54 ALA HB1 . 30478 1 655 . 1 1 62 62 ALA HB2 H 1 1.269 0.000 . . . . . . A 54 ALA HB2 . 30478 1 656 . 1 1 62 62 ALA HB3 H 1 1.269 0.000 . . . . . . A 54 ALA HB3 . 30478 1 657 . 1 1 62 62 ALA CA C 13 50.334 0.000 . . . . . . A 54 ALA CA . 30478 1 658 . 1 1 62 62 ALA CB C 13 19.707 0.000 . . . . . . A 54 ALA CB . 30478 1 659 . 1 1 62 62 ALA N N 15 127.989 0.000 . . . . . . A 54 ALA N . 30478 1 660 . 1 1 63 63 GLY H H 1 8.771 0.000 . . . . . . A 55 GLY H . 30478 1 661 . 1 1 63 63 GLY HA2 H 1 4.046 0.000 . . . . . . A 55 GLY HA2 . 30478 1 662 . 1 1 63 63 GLY HA3 H 1 3.629 0.000 . . . . . . A 55 GLY HA3 . 30478 1 663 . 1 1 63 63 GLY CA C 13 47.159 0.000 . . . . . . A 55 GLY CA . 30478 1 664 . 1 1 63 63 GLY N N 15 111.274 0.000 . . . . . . A 55 GLY N . 30478 1 665 . 1 1 64 64 SER H H 1 8.676 0.000 . . . . . . A 56 SER H . 30478 1 666 . 1 1 64 64 SER HA H 1 4.359 0.000 . . . . . . A 56 SER HA . 30478 1 667 . 1 1 64 64 SER HB2 H 1 3.859 0.000 . . . . . . A 56 SER HB2 . 30478 1 668 . 1 1 64 64 SER HB3 H 1 3.992 0.000 . . . . . . A 56 SER HB3 . 30478 1 669 . 1 1 64 64 SER CA C 13 58.597 0.000 . . . . . . A 56 SER CA . 30478 1 670 . 1 1 64 64 SER CB C 13 63.399 0.000 . . . . . . A 56 SER CB . 30478 1 671 . 1 1 64 64 SER N N 15 118.016 0.000 . . . . . . A 56 SER N . 30478 1 672 . 1 1 65 65 LYS H H 1 7.734 0.000 . . . . . . A 57 LYS H . 30478 1 673 . 1 1 65 65 LYS HA H 1 4.518 0.000 . . . . . . A 57 LYS HA . 30478 1 674 . 1 1 65 65 LYS HB2 H 1 1.804 0.000 . . . . . . A 57 LYS HB2 . 30478 1 675 . 1 1 65 65 LYS HB3 H 1 1.879 0.000 . . . . . . A 57 LYS HB3 . 30478 1 676 . 1 1 65 65 LYS HG2 H 1 1.347 0.000 . . . . . . A 57 LYS HG2 . 30478 1 677 . 1 1 65 65 LYS HG3 H 1 1.347 0.000 . . . . . . A 57 LYS HG3 . 30478 1 678 . 1 1 65 65 LYS HD2 H 1 1.647 0.000 . . . . . . A 57 LYS HD2 . 30478 1 679 . 1 1 65 65 LYS HD3 H 1 1.647 0.000 . . . . . . A 57 LYS HD3 . 30478 1 680 . 1 1 65 65 LYS HE2 H 1 2.891 0.000 . . . . . . A 57 LYS HE2 . 30478 1 681 . 1 1 65 65 LYS HE3 H 1 2.891 0.000 . . . . . . A 57 LYS HE3 . 30478 1 682 . 1 1 65 65 LYS CA C 13 55.231 0.000 . . . . . . A 57 LYS CA . 30478 1 683 . 1 1 65 65 LYS CB C 13 34.482 0.000 . . . . . . A 57 LYS CB . 30478 1 684 . 1 1 65 65 LYS CG C 13 24.476 0.000 . . . . . . A 57 LYS CG . 30478 1 685 . 1 1 65 65 LYS CD C 13 29.233 0.000 . . . . . . A 57 LYS CD . 30478 1 686 . 1 1 65 65 LYS CE C 13 42.11 0.000 . . . . . . A 57 LYS CE . 30478 1 687 . 1 1 65 65 LYS N N 15 119.866 0.000 . . . . . . A 57 LYS N . 30478 1 688 . 1 1 66 66 VAL H H 1 8.252 0.000 . . . . . . A 58 VAL H . 30478 1 689 . 1 1 66 66 VAL HA H 1 4.699 0.000 . . . . . . A 58 VAL HA . 30478 1 690 . 1 1 66 66 VAL HB H 1 1.859 0.000 . . . . . . A 58 VAL HB . 30478 1 691 . 1 1 66 66 VAL HG11 H 1 0.762 0.000 . . . . . . A 58 VAL HG11 . 30478 1 692 . 1 1 66 66 VAL HG12 H 1 0.762 0.000 . . . . . . A 58 VAL HG12 . 30478 1 693 . 1 1 66 66 VAL HG13 H 1 0.762 0.000 . . . . . . A 58 VAL HG13 . 30478 1 694 . 1 1 66 66 VAL HG21 H 1 0.887 0.000 . . . . . . A 58 VAL HG21 . 30478 1 695 . 1 1 66 66 VAL HG22 H 1 0.887 0.000 . . . . . . A 58 VAL HG22 . 30478 1 696 . 1 1 66 66 VAL HG23 H 1 0.887 0.000 . . . . . . A 58 VAL HG23 . 30478 1 697 . 1 1 66 66 VAL CA C 13 61.419 0.000 . . . . . . A 58 VAL CA . 30478 1 698 . 1 1 66 66 VAL CB C 13 33.215 0.000 . . . . . . A 58 VAL CB . 30478 1 699 . 1 1 66 66 VAL CG1 C 13 21.338 0.000 . . . . . . A 58 VAL CG1 . 30478 1 700 . 1 1 66 66 VAL CG2 C 13 21.23 0.000 . . . . . . A 58 VAL CG2 . 30478 1 701 . 1 1 66 66 VAL N N 15 121.18 0.000 . . . . . . A 58 VAL N . 30478 1 702 . 1 1 67 67 ILE H H 1 9.138 0.000 . . . . . . A 59 ILE H . 30478 1 703 . 1 1 67 67 ILE HA H 1 4.296 0.000 . . . . . . A 59 ILE HA . 30478 1 704 . 1 1 67 67 ILE HB H 1 1.575 0.000 . . . . . . A 59 ILE HB . 30478 1 705 . 1 1 67 67 ILE HG12 H 1 0.936 0.000 . . . . . . A 59 ILE HG12 . 30478 1 706 . 1 1 67 67 ILE HG13 H 1 1.369 0.000 . . . . . . A 59 ILE HG13 . 30478 1 707 . 1 1 67 67 ILE HG21 H 1 0.605 0.000 . . . . . . A 59 ILE HG21 . 30478 1 708 . 1 1 67 67 ILE HG22 H 1 0.605 0.000 . . . . . . A 59 ILE HG22 . 30478 1 709 . 1 1 67 67 ILE HG23 H 1 0.605 0.000 . . . . . . A 59 ILE HG23 . 30478 1 710 . 1 1 67 67 ILE HD11 H 1 0.636 0.000 . . . . . . A 59 ILE HD11 . 30478 1 711 . 1 1 67 67 ILE HD12 H 1 0.636 0.000 . . . . . . A 59 ILE HD12 . 30478 1 712 . 1 1 67 67 ILE HD13 H 1 0.636 0.000 . . . . . . A 59 ILE HD13 . 30478 1 713 . 1 1 67 67 ILE CA C 13 60.178 0.000 . . . . . . A 59 ILE CA . 30478 1 714 . 1 1 67 67 ILE CB C 13 40.67 0.000 . . . . . . A 59 ILE CB . 30478 1 715 . 1 1 67 67 ILE CG1 C 13 27.35 0.000 . . . . . . A 59 ILE CG1 . 30478 1 716 . 1 1 67 67 ILE CG2 C 13 17.98 0.000 . . . . . . A 59 ILE CG2 . 30478 1 717 . 1 1 67 67 ILE CD1 C 13 14.557 0.000 . . . . . . A 59 ILE CD1 . 30478 1 718 . 1 1 67 67 ILE N N 15 124.709 0.000 . . . . . . A 59 ILE N . 30478 1 719 . 1 1 68 68 GLN H H 1 8.919 0.000 . . . . . . A 60 GLN H . 30478 1 720 . 1 1 68 68 GLN HA H 1 5.408 0.000 . . . . . . A 60 GLN HA . 30478 1 721 . 1 1 68 68 GLN HB2 H 1 1.91 0.000 . . . . . . A 60 GLN HB2 . 30478 1 722 . 1 1 68 68 GLN HB3 H 1 2.014 0.000 . . . . . . A 60 GLN HB3 . 30478 1 723 . 1 1 68 68 GLN HG2 H 1 2.271 0.000 . . . . . . A 60 GLN HG2 . 30478 1 724 . 1 1 68 68 GLN HG3 H 1 2.271 0.000 . . . . . . A 60 GLN HG3 . 30478 1 725 . 1 1 68 68 GLN HE21 H 1 7.502 0.000 . . . . . . A 60 GLN HE21 . 30478 1 726 . 1 1 68 68 GLN HE22 H 1 6.757 0.000 . . . . . . A 60 GLN HE22 . 30478 1 727 . 1 1 68 68 GLN CA C 13 54.33 0.000 . . . . . . A 60 GLN CA . 30478 1 728 . 1 1 68 68 GLN CB C 13 31.677 0.000 . . . . . . A 60 GLN CB . 30478 1 729 . 1 1 68 68 GLN CG C 13 34.274 0.000 . . . . . . A 60 GLN CG . 30478 1 730 . 1 1 68 68 GLN N N 15 125.427 0.000 . . . . . . A 60 GLN N . 30478 1 731 . 1 1 68 68 GLN NE2 N 15 109.254 0.000 . . . . . . A 60 GLN NE2 . 30478 1 732 . 1 1 69 69 ASN H H 1 8.834 0.000 . . . . . . A 61 ASN H . 30478 1 733 . 1 1 69 69 ASN HA H 1 5.341 0.000 . . . . . . A 61 ASN HA . 30478 1 734 . 1 1 69 69 ASN HB2 H 1 2.289 0.000 . . . . . . A 61 ASN HB2 . 30478 1 735 . 1 1 69 69 ASN HB3 H 1 2.438 0.000 . . . . . . A 61 ASN HB3 . 30478 1 736 . 1 1 69 69 ASN HD21 H 1 6.479 0.000 . . . . . . A 61 ASN HD21 . 30478 1 737 . 1 1 69 69 ASN HD22 H 1 8.374 0.000 . . . . . . A 61 ASN HD22 . 30478 1 738 . 1 1 69 69 ASN CA C 13 52.669 0.000 . . . . . . A 61 ASN CA . 30478 1 739 . 1 1 69 69 ASN CB C 13 45.57 0.000 . . . . . . A 61 ASN CB . 30478 1 740 . 1 1 69 69 ASN N N 15 118.036 0.000 . . . . . . A 61 ASN N . 30478 1 741 . 1 1 69 69 ASN ND2 N 15 112.109 0.000 . . . . . . A 61 ASN ND2 . 30478 1 742 . 1 1 70 70 GLU H H 1 8.938 0.000 . . . . . . A 62 GLU H . 30478 1 743 . 1 1 70 70 GLU HA H 1 5.4 0.000 . . . . . . A 62 GLU HA . 30478 1 744 . 1 1 70 70 GLU HB2 H 1 2.04 0.000 . . . . . . A 62 GLU HB2 . 30478 1 745 . 1 1 70 70 GLU HB3 H 1 2.04 0.000 . . . . . . A 62 GLU HB3 . 30478 1 746 . 1 1 70 70 GLU HG2 H 1 2.261 0.000 . . . . . . A 62 GLU HG2 . 30478 1 747 . 1 1 70 70 GLU HG3 H 1 2.29 0.000 . . . . . . A 62 GLU HG3 . 30478 1 748 . 1 1 70 70 GLU CA C 13 54.718 0.000 . . . . . . A 62 GLU CA . 30478 1 749 . 1 1 70 70 GLU CB C 13 33.537 0.000 . . . . . . A 62 GLU CB . 30478 1 750 . 1 1 70 70 GLU CG C 13 36.187 0.000 . . . . . . A 62 GLU CG . 30478 1 751 . 1 1 70 70 GLU N N 15 118.688 0.000 . . . . . . A 62 GLU N . 30478 1 752 . 1 1 71 71 PHE H H 1 8.174 0.000 . . . . . . A 63 PHE H . 30478 1 753 . 1 1 71 71 PHE HA H 1 5.01 0.000 . . . . . . A 63 PHE HA . 30478 1 754 . 1 1 71 71 PHE HB2 H 1 3.076 0.000 . . . . . . A 63 PHE HB2 . 30478 1 755 . 1 1 71 71 PHE HB3 H 1 3.272 0.000 . . . . . . A 63 PHE HB3 . 30478 1 756 . 1 1 71 71 PHE HD1 H 1 6.529 0.000 . . . . . . A 63 PHE HD1 . 30478 1 757 . 1 1 71 71 PHE HD2 H 1 6.529 0.000 . . . . . . A 63 PHE HD2 . 30478 1 758 . 1 1 71 71 PHE HE1 H 1 6.527 0.000 . . . . . . A 63 PHE HE1 . 30478 1 759 . 1 1 71 71 PHE HE2 H 1 6.527 0.000 . . . . . . A 63 PHE HE2 . 30478 1 760 . 1 1 71 71 PHE HZ H 1 6.408 0.000 . . . . . . A 63 PHE HZ . 30478 1 761 . 1 1 71 71 PHE CA C 13 56.428 0.000 . . . . . . A 63 PHE CA . 30478 1 762 . 1 1 71 71 PHE CB C 13 41.529 0.000 . . . . . . A 63 PHE CB . 30478 1 763 . 1 1 71 71 PHE CD1 C 13 131.956 0.000 . . . . . . A 63 PHE CD1 . 30478 1 764 . 1 1 71 71 PHE CD2 C 13 131.96 0.000 . . . . . . A 63 PHE CD2 . 30478 1 765 . 1 1 71 71 PHE CE1 C 13 129.89 0.000 . . . . . . A 63 PHE CE1 . 30478 1 766 . 1 1 71 71 PHE CE2 C 13 129.86 0.000 . . . . . . A 63 PHE CE2 . 30478 1 767 . 1 1 71 71 PHE CZ C 13 128.802 0.000 . . . . . . A 63 PHE CZ . 30478 1 768 . 1 1 71 71 PHE N N 15 113.606 0.000 . . . . . . A 63 PHE N . 30478 1 769 . 1 1 72 72 THR H H 1 9.152 0.000 . . . . . . A 64 THR H . 30478 1 770 . 1 1 72 72 THR HA H 1 5.258 0.000 . . . . . . A 64 THR HA . 30478 1 771 . 1 1 72 72 THR HB H 1 3.974 0.000 . . . . . . A 64 THR HB . 30478 1 772 . 1 1 72 72 THR HG21 H 1 1.294 0.000 . . . . . . A 64 THR HG21 . 30478 1 773 . 1 1 72 72 THR HG22 H 1 1.294 0.000 . . . . . . A 64 THR HG22 . 30478 1 774 . 1 1 72 72 THR HG23 H 1 1.294 0.000 . . . . . . A 64 THR HG23 . 30478 1 775 . 1 1 72 72 THR CA C 13 60.923 0.000 . . . . . . A 64 THR CA . 30478 1 776 . 1 1 72 72 THR CB C 13 70.514 0.000 . . . . . . A 64 THR CB . 30478 1 777 . 1 1 72 72 THR CG2 C 13 22.064 0.000 . . . . . . A 64 THR CG2 . 30478 1 778 . 1 1 72 72 THR N N 15 115.866 0.000 . . . . . . A 64 THR N . 30478 1 779 . 1 1 73 73 VAL H H 1 9.038 0.000 . . . . . . A 65 VAL H . 30478 1 780 . 1 1 73 73 VAL HA H 1 4.161 0.000 . . . . . . A 65 VAL HA . 30478 1 781 . 1 1 73 73 VAL HB H 1 2.33 0.000 . . . . . . A 65 VAL HB . 30478 1 782 . 1 1 73 73 VAL HG11 H 1 1.308 0.000 . . . . . . A 65 VAL HG11 . 30478 1 783 . 1 1 73 73 VAL HG12 H 1 1.308 0.000 . . . . . . A 65 VAL HG12 . 30478 1 784 . 1 1 73 73 VAL HG13 H 1 1.308 0.000 . . . . . . A 65 VAL HG13 . 30478 1 785 . 1 1 73 73 VAL HG21 H 1 1.113 0.000 . . . . . . A 65 VAL HG21 . 30478 1 786 . 1 1 73 73 VAL HG22 H 1 1.113 0.000 . . . . . . A 65 VAL HG22 . 30478 1 787 . 1 1 73 73 VAL HG23 H 1 1.113 0.000 . . . . . . A 65 VAL HG23 . 30478 1 788 . 1 1 73 73 VAL CA C 13 64.181 0.000 . . . . . . A 65 VAL CA . 30478 1 789 . 1 1 73 73 VAL CB C 13 32.094 0.000 . . . . . . A 65 VAL CB . 30478 1 790 . 1 1 73 73 VAL CG1 C 13 21.112 0.000 . . . . . . A 65 VAL CG1 . 30478 1 791 . 1 1 73 73 VAL CG2 C 13 23.154 0.000 . . . . . . A 65 VAL CG2 . 30478 1 792 . 1 1 73 73 VAL N N 15 122.978 0.000 . . . . . . A 65 VAL N . 30478 1 793 . 1 1 74 74 GLY H H 1 8.85 0.000 . . . . . . A 66 GLY H . 30478 1 794 . 1 1 74 74 GLY HA2 H 1 4.326 0.000 . . . . . . A 66 GLY HA2 . 30478 1 795 . 1 1 74 74 GLY HA3 H 1 3.484 0.000 . . . . . . A 66 GLY HA3 . 30478 1 796 . 1 1 74 74 GLY CA C 13 45.518 0.000 . . . . . . A 66 GLY CA . 30478 1 797 . 1 1 74 74 GLY N N 15 107.413 0.000 . . . . . . A 66 GLY N . 30478 1 798 . 1 1 75 75 GLU H H 1 7.709 0.000 . . . . . . A 67 GLU H . 30478 1 799 . 1 1 75 75 GLU HA H 1 4.727 0.000 . . . . . . A 67 GLU HA . 30478 1 800 . 1 1 75 75 GLU HB2 H 1 1.987 0.000 . . . . . . A 67 GLU HB2 . 30478 1 801 . 1 1 75 75 GLU HB3 H 1 2.143 0.000 . . . . . . A 67 GLU HB3 . 30478 1 802 . 1 1 75 75 GLU HG2 H 1 2.212 0.000 . . . . . . A 67 GLU HG2 . 30478 1 803 . 1 1 75 75 GLU HG3 H 1 2.212 0.000 . . . . . . A 67 GLU HG3 . 30478 1 804 . 1 1 75 75 GLU CA C 13 54.073 0.000 . . . . . . A 67 GLU CA . 30478 1 805 . 1 1 75 75 GLU CB C 13 31.779 0.000 . . . . . . A 67 GLU CB . 30478 1 806 . 1 1 75 75 GLU CG C 13 35.827 0.000 . . . . . . A 67 GLU CG . 30478 1 807 . 1 1 75 75 GLU N N 15 116.605 0.000 . . . . . . A 67 GLU N . 30478 1 808 . 1 1 76 76 GLU H H 1 8.915 0.000 . . . . . . A 68 GLU H . 30478 1 809 . 1 1 76 76 GLU HA H 1 4.327 0.000 . . . . . . A 68 GLU HA . 30478 1 810 . 1 1 76 76 GLU HB2 H 1 1.936 0.000 . . . . . . A 68 GLU HB2 . 30478 1 811 . 1 1 76 76 GLU HB3 H 1 1.936 0.000 . . . . . . A 68 GLU HB3 . 30478 1 812 . 1 1 76 76 GLU HG2 H 1 2.108 0.000 . . . . . . A 68 GLU HG2 . 30478 1 813 . 1 1 76 76 GLU HG3 H 1 2.171 0.000 . . . . . . A 68 GLU HG3 . 30478 1 814 . 1 1 76 76 GLU CA C 13 57.754 0.000 . . . . . . A 68 GLU CA . 30478 1 815 . 1 1 76 76 GLU CB C 13 29.892 0.000 . . . . . . A 68 GLU CB . 30478 1 816 . 1 1 76 76 GLU CG C 13 36.954 0.000 . . . . . . A 68 GLU CG . 30478 1 817 . 1 1 76 76 GLU N N 15 123.346 0.000 . . . . . . A 68 GLU N . 30478 1 818 . 1 1 77 77 CYS H H 1 9.119 0.000 . . . . . . A 69 CYS H . 30478 1 819 . 1 1 77 77 CYS HA H 1 5.107 0.000 . . . . . . A 69 CYS HA . 30478 1 820 . 1 1 77 77 CYS HB2 H 1 2.985 0.000 . . . . . . A 69 CYS HB2 . 30478 1 821 . 1 1 77 77 CYS HB3 H 1 3.366 0.000 . . . . . . A 69 CYS HB3 . 30478 1 822 . 1 1 77 77 CYS CA C 13 55.149 0.000 . . . . . . A 69 CYS CA . 30478 1 823 . 1 1 77 77 CYS CB C 13 31.867 0.000 . . . . . . A 69 CYS CB . 30478 1 824 . 1 1 77 77 CYS N N 15 118.731 0.000 . . . . . . A 69 CYS N . 30478 1 825 . 1 1 78 78 GLU H H 1 8.345 0.000 . . . . . . A 70 GLU H . 30478 1 826 . 1 1 78 78 GLU HA H 1 4.982 0.000 . . . . . . A 70 GLU HA . 30478 1 827 . 1 1 78 78 GLU HB2 H 1 1.774 0.000 . . . . . . A 70 GLU HB2 . 30478 1 828 . 1 1 78 78 GLU HB3 H 1 1.942 0.000 . . . . . . A 70 GLU HB3 . 30478 1 829 . 1 1 78 78 GLU HG2 H 1 1.887 0.000 . . . . . . A 70 GLU HG2 . 30478 1 830 . 1 1 78 78 GLU HG3 H 1 1.991 0.000 . . . . . . A 70 GLU HG3 . 30478 1 831 . 1 1 78 78 GLU CA C 13 54.844 0.000 . . . . . . A 70 GLU CA . 30478 1 832 . 1 1 78 78 GLU CB C 13 31.755 0.000 . . . . . . A 70 GLU CB . 30478 1 833 . 1 1 78 78 GLU CG C 13 37.79 0.000 . . . . . . A 70 GLU CG . 30478 1 834 . 1 1 78 78 GLU N N 15 117.575 0.000 . . . . . . A 70 GLU N . 30478 1 835 . 1 1 79 79 LEU H H 1 8.818 0.000 . . . . . . A 71 LEU H . 30478 1 836 . 1 1 79 79 LEU HA H 1 4.611 0.000 . . . . . . A 71 LEU HA . 30478 1 837 . 1 1 79 79 LEU HB2 H 1 1.322 0.000 . . . . . . A 71 LEU HB2 . 30478 1 838 . 1 1 79 79 LEU HB3 H 1 0.794 0.000 . . . . . . A 71 LEU HB3 . 30478 1 839 . 1 1 79 79 LEU HG H 1 1.403 0.000 . . . . . . A 71 LEU HG . 30478 1 840 . 1 1 79 79 LEU HD11 H 1 0.204 0.000 . . . . . . A 71 LEU HD11 . 30478 1 841 . 1 1 79 79 LEU HD12 H 1 0.204 0.000 . . . . . . A 71 LEU HD12 . 30478 1 842 . 1 1 79 79 LEU HD13 H 1 0.204 0.000 . . . . . . A 71 LEU HD13 . 30478 1 843 . 1 1 79 79 LEU HD21 H 1 0.521 0.000 . . . . . . A 71 LEU HD21 . 30478 1 844 . 1 1 79 79 LEU HD22 H 1 0.521 0.000 . . . . . . A 71 LEU HD22 . 30478 1 845 . 1 1 79 79 LEU HD23 H 1 0.521 0.000 . . . . . . A 71 LEU HD23 . 30478 1 846 . 1 1 79 79 LEU CA C 13 52.564 0.000 . . . . . . A 71 LEU CA . 30478 1 847 . 1 1 79 79 LEU CB C 13 44.395 0.000 . . . . . . A 71 LEU CB . 30478 1 848 . 1 1 79 79 LEU CG C 13 26.024 0.000 . . . . . . A 71 LEU CG . 30478 1 849 . 1 1 79 79 LEU CD1 C 13 26.076 0.000 . . . . . . A 71 LEU CD1 . 30478 1 850 . 1 1 79 79 LEU CD2 C 13 23.307 0.000 . . . . . . A 71 LEU CD2 . 30478 1 851 . 1 1 79 79 LEU N N 15 123.097 0.000 . . . . . . A 71 LEU N . 30478 1 852 . 1 1 80 80 GLU H H 1 9.476 0.000 . . . . . . A 72 GLU H . 30478 1 853 . 1 1 80 80 GLU HA H 1 4.687 0.000 . . . . . . A 72 GLU HA . 30478 1 854 . 1 1 80 80 GLU HB2 H 1 1.847 0.000 . . . . . . A 72 GLU HB2 . 30478 1 855 . 1 1 80 80 GLU HB3 H 1 1.792 0.000 . . . . . . A 72 GLU HB3 . 30478 1 856 . 1 1 80 80 GLU HG2 H 1 2.299 0.000 . . . . . . A 72 GLU HG2 . 30478 1 857 . 1 1 80 80 GLU HG3 H 1 2.011 0.000 . . . . . . A 72 GLU HG3 . 30478 1 858 . 1 1 80 80 GLU CA C 13 55.41 0.000 . . . . . . A 72 GLU CA . 30478 1 859 . 1 1 80 80 GLU CB C 13 30.855 0.000 . . . . . . A 72 GLU CB . 30478 1 860 . 1 1 80 80 GLU CG C 13 36.33 0.000 . . . . . . A 72 GLU CG . 30478 1 861 . 1 1 80 80 GLU N N 15 121.312 0.000 . . . . . . A 72 GLU N . 30478 1 862 . 1 1 81 81 THR H H 1 8.154 0.000 . . . . . . A 73 THR H . 30478 1 863 . 1 1 81 81 THR HA H 1 4.554 0.000 . . . . . . A 73 THR HA . 30478 1 864 . 1 1 81 81 THR HB H 1 4.428 0.000 . . . . . . A 73 THR HB . 30478 1 865 . 1 1 81 81 THR HG21 H 1 0.761 0.000 . . . . . . A 73 THR HG21 . 30478 1 866 . 1 1 81 81 THR HG22 H 1 0.761 0.000 . . . . . . A 73 THR HG22 . 30478 1 867 . 1 1 81 81 THR HG23 H 1 0.761 0.000 . . . . . . A 73 THR HG23 . 30478 1 868 . 1 1 81 81 THR CA C 13 60.138 0.000 . . . . . . A 73 THR CA . 30478 1 869 . 1 1 81 81 THR CB C 13 72.149 0.000 . . . . . . A 73 THR CB . 30478 1 870 . 1 1 81 81 THR CG2 C 13 21.206 0.000 . . . . . . A 73 THR CG2 . 30478 1 871 . 1 1 81 81 THR N N 15 110.184 0.000 . . . . . . A 73 THR N . 30478 1 872 . 1 1 82 82 MET H H 1 9.574 0.000 . . . . . . A 74 MET H . 30478 1 873 . 1 1 82 82 MET HA H 1 3.941 0.000 . . . . . . A 74 MET HA . 30478 1 874 . 1 1 82 82 MET HB2 H 1 1.808 0.000 . . . . . . A 74 MET HB2 . 30478 1 875 . 1 1 82 82 MET HB3 H 1 2.186 0.000 . . . . . . A 74 MET HB3 . 30478 1 876 . 1 1 82 82 MET HG2 H 1 2.304 0.000 . . . . . . A 74 MET HG2 . 30478 1 877 . 1 1 82 82 MET HG3 H 1 2.56 0.000 . . . . . . A 74 MET HG3 . 30478 1 878 . 1 1 82 82 MET HE1 H 1 2.16 0.000 . . . . . . A 74 MET HE1 . 30478 1 879 . 1 1 82 82 MET HE2 H 1 2.16 0.000 . . . . . . A 74 MET HE2 . 30478 1 880 . 1 1 82 82 MET HE3 H 1 2.16 0.000 . . . . . . A 74 MET HE3 . 30478 1 881 . 1 1 82 82 MET CA C 13 58.29 0.000 . . . . . . A 74 MET CA . 30478 1 882 . 1 1 82 82 MET CB C 13 34.352 0.000 . . . . . . A 74 MET CB . 30478 1 883 . 1 1 82 82 MET CG C 13 32.515 0.000 . . . . . . A 74 MET CG . 30478 1 884 . 1 1 82 82 MET CE C 13 17.111 0.000 . . . . . . A 74 MET CE . 30478 1 885 . 1 1 82 82 MET N N 15 113.94 0.000 . . . . . . A 74 MET N . 30478 1 886 . 1 1 83 83 THR H H 1 7.406 0.000 . . . . . . A 75 THR H . 30478 1 887 . 1 1 83 83 THR HA H 1 4.255 0.000 . . . . . . A 75 THR HA . 30478 1 888 . 1 1 83 83 THR HB H 1 4.478 0.000 . . . . . . A 75 THR HB . 30478 1 889 . 1 1 83 83 THR HG21 H 1 1.065 0.000 . . . . . . A 75 THR HG21 . 30478 1 890 . 1 1 83 83 THR HG22 H 1 1.065 0.000 . . . . . . A 75 THR HG22 . 30478 1 891 . 1 1 83 83 THR HG23 H 1 1.065 0.000 . . . . . . A 75 THR HG23 . 30478 1 892 . 1 1 83 83 THR CA C 13 61.228 0.000 . . . . . . A 75 THR CA . 30478 1 893 . 1 1 83 83 THR CB C 13 68.399 0.000 . . . . . . A 75 THR CB . 30478 1 894 . 1 1 83 83 THR CG2 C 13 22.898 0.000 . . . . . . A 75 THR CG2 . 30478 1 895 . 1 1 83 83 THR N N 15 101.644 0.000 . . . . . . A 75 THR N . 30478 1 896 . 1 1 84 84 GLY H H 1 7.817 0.000 . . . . . . A 76 GLY H . 30478 1 897 . 1 1 84 84 GLY HA2 H 1 4.27 0.000 . . . . . . A 76 GLY HA2 . 30478 1 898 . 1 1 84 84 GLY HA3 H 1 3.876 0.000 . . . . . . A 76 GLY HA3 . 30478 1 899 . 1 1 84 84 GLY CA C 13 45.248 0.000 . . . . . . A 76 GLY CA . 30478 1 900 . 1 1 84 84 GLY N N 15 107.945 0.000 . . . . . . A 76 GLY N . 30478 1 901 . 1 1 85 85 GLU H H 1 7.295 0.000 . . . . . . A 77 GLU H . 30478 1 902 . 1 1 85 85 GLU HA H 1 4.242 0.000 . . . . . . A 77 GLU HA . 30478 1 903 . 1 1 85 85 GLU HB2 H 1 1.71 0.000 . . . . . . A 77 GLU HB2 . 30478 1 904 . 1 1 85 85 GLU HB3 H 1 1.743 0.000 . . . . . . A 77 GLU HB3 . 30478 1 905 . 1 1 85 85 GLU HG2 H 1 2.022 0.000 . . . . . . A 77 GLU HG2 . 30478 1 906 . 1 1 85 85 GLU HG3 H 1 2.106 0.000 . . . . . . A 77 GLU HG3 . 30478 1 907 . 1 1 85 85 GLU CA C 13 55.582 0.000 . . . . . . A 77 GLU CA . 30478 1 908 . 1 1 85 85 GLU CB C 13 31.163 0.000 . . . . . . A 77 GLU CB . 30478 1 909 . 1 1 85 85 GLU CG C 13 36.344 0.000 . . . . . . A 77 GLU CG . 30478 1 910 . 1 1 85 85 GLU N N 15 117.798 0.000 . . . . . . A 77 GLU N . 30478 1 911 . 1 1 86 86 LYS H H 1 8.45 0.000 . . . . . . A 78 LYS H . 30478 1 912 . 1 1 86 86 LYS HA H 1 5.314 0.000 . . . . . . A 78 LYS HA . 30478 1 913 . 1 1 86 86 LYS HB2 H 1 1.674 0.000 . . . . . . A 78 LYS HB2 . 30478 1 914 . 1 1 86 86 LYS HB3 H 1 1.48 0.000 . . . . . . A 78 LYS HB3 . 30478 1 915 . 1 1 86 86 LYS HG2 H 1 1.419 0.000 . . . . . . A 78 LYS HG2 . 30478 1 916 . 1 1 86 86 LYS HG3 H 1 1.189 0.000 . . . . . . A 78 LYS HG3 . 30478 1 917 . 1 1 86 86 LYS HD2 H 1 1.552 0.000 . . . . . . A 78 LYS HD2 . 30478 1 918 . 1 1 86 86 LYS HD3 H 1 1.589 0.000 . . . . . . A 78 LYS HD3 . 30478 1 919 . 1 1 86 86 LYS HE2 H 1 2.89 0.000 . . . . . . A 78 LYS HE2 . 30478 1 920 . 1 1 86 86 LYS HE3 H 1 2.89 0.000 . . . . . . A 78 LYS HE3 . 30478 1 921 . 1 1 86 86 LYS CA C 13 54.601 0.000 . . . . . . A 78 LYS CA . 30478 1 922 . 1 1 86 86 LYS CB C 13 33.535 0.000 . . . . . . A 78 LYS CB . 30478 1 923 . 1 1 86 86 LYS CG C 13 25.224 0.000 . . . . . . A 78 LYS CG . 30478 1 924 . 1 1 86 86 LYS CD C 13 29.051 0.000 . . . . . . A 78 LYS CD . 30478 1 925 . 1 1 86 86 LYS CE C 13 41.895 0.000 . . . . . . A 78 LYS CE . 30478 1 926 . 1 1 86 86 LYS N N 15 120.829 0.000 . . . . . . A 78 LYS N . 30478 1 927 . 1 1 87 87 VAL H H 1 8.961 0.000 . . . . . . A 79 VAL H . 30478 1 928 . 1 1 87 87 VAL HA H 1 4.447 0.000 . . . . . . A 79 VAL HA . 30478 1 929 . 1 1 87 87 VAL HB H 1 1.869 0.000 . . . . . . A 79 VAL HB . 30478 1 930 . 1 1 87 87 VAL HG11 H 1 0.761 0.000 . . . . . . A 79 VAL HG11 . 30478 1 931 . 1 1 87 87 VAL HG12 H 1 0.761 0.000 . . . . . . A 79 VAL HG12 . 30478 1 932 . 1 1 87 87 VAL HG13 H 1 0.761 0.000 . . . . . . A 79 VAL HG13 . 30478 1 933 . 1 1 87 87 VAL HG21 H 1 0.598 0.000 . . . . . . A 79 VAL HG21 . 30478 1 934 . 1 1 87 87 VAL HG22 H 1 0.598 0.000 . . . . . . A 79 VAL HG22 . 30478 1 935 . 1 1 87 87 VAL HG23 H 1 0.598 0.000 . . . . . . A 79 VAL HG23 . 30478 1 936 . 1 1 87 87 VAL CA C 13 59.566 0.000 . . . . . . A 79 VAL CA . 30478 1 937 . 1 1 87 87 VAL CB C 13 35.041 0.000 . . . . . . A 79 VAL CB . 30478 1 938 . 1 1 87 87 VAL CG1 C 13 21.322 0.000 . . . . . . A 79 VAL CG1 . 30478 1 939 . 1 1 87 87 VAL CG2 C 13 20.011 0.000 . . . . . . A 79 VAL CG2 . 30478 1 940 . 1 1 87 87 VAL N N 15 117.929 0.000 . . . . . . A 79 VAL N . 30478 1 941 . 1 1 88 88 LYS H H 1 8.417 0.000 . . . . . . A 80 LYS H . 30478 1 942 . 1 1 88 88 LYS HA H 1 5.248 0.000 . . . . . . A 80 LYS HA . 30478 1 943 . 1 1 88 88 LYS HB2 H 1 1.672 0.000 . . . . . . A 80 LYS HB2 . 30478 1 944 . 1 1 88 88 LYS HB3 H 1 1.728 0.000 . . . . . . A 80 LYS HB3 . 30478 1 945 . 1 1 88 88 LYS HG2 H 1 1.247 0.000 . . . . . . A 80 LYS HG2 . 30478 1 946 . 1 1 88 88 LYS HG3 H 1 1.422 0.000 . . . . . . A 80 LYS HG3 . 30478 1 947 . 1 1 88 88 LYS HD2 H 1 1.609 0.000 . . . . . . A 80 LYS HD2 . 30478 1 948 . 1 1 88 88 LYS HD3 H 1 1.609 0.000 . . . . . . A 80 LYS HD3 . 30478 1 949 . 1 1 88 88 LYS CA C 13 55.099 0.000 . . . . . . A 80 LYS CA . 30478 1 950 . 1 1 88 88 LYS CB C 13 33.032 0.000 . . . . . . A 80 LYS CB . 30478 1 951 . 1 1 88 88 LYS CG C 13 25.204 0.000 . . . . . . A 80 LYS CG . 30478 1 952 . 1 1 88 88 LYS CD C 13 29.251 0.000 . . . . . . A 80 LYS CD . 30478 1 953 . 1 1 88 88 LYS N N 15 123.096 0.000 . . . . . . A 80 LYS N . 30478 1 954 . 1 1 89 89 THR H H 1 8.733 0.000 . . . . . . A 81 THR H . 30478 1 955 . 1 1 89 89 THR HA H 1 4.666 0.000 . . . . . . A 81 THR HA . 30478 1 956 . 1 1 89 89 THR HB H 1 4.072 0.000 . . . . . . A 81 THR HB . 30478 1 957 . 1 1 89 89 THR HG21 H 1 0.643 0.000 . . . . . . A 81 THR HG21 . 30478 1 958 . 1 1 89 89 THR HG22 H 1 0.643 0.000 . . . . . . A 81 THR HG22 . 30478 1 959 . 1 1 89 89 THR HG23 H 1 0.643 0.000 . . . . . . A 81 THR HG23 . 30478 1 960 . 1 1 89 89 THR CA C 13 58.791 0.000 . . . . . . A 81 THR CA . 30478 1 961 . 1 1 89 89 THR CB C 13 68.978 0.000 . . . . . . A 81 THR CB . 30478 1 962 . 1 1 89 89 THR CG2 C 13 19.184 0.000 . . . . . . A 81 THR CG2 . 30478 1 963 . 1 1 89 89 THR N N 15 117.673 0.000 . . . . . . A 81 THR N . 30478 1 964 . 1 1 90 90 VAL H H 1 8.059 0.000 . . . . . . A 82 VAL H . 30478 1 965 . 1 1 90 90 VAL HA H 1 4.217 0.000 . . . . . . A 82 VAL HA . 30478 1 966 . 1 1 90 90 VAL HB H 1 1.79 0.000 . . . . . . A 82 VAL HB . 30478 1 967 . 1 1 90 90 VAL HG11 H 1 0.659 0.000 . . . . . . A 82 VAL HG11 . 30478 1 968 . 1 1 90 90 VAL HG12 H 1 0.659 0.000 . . . . . . A 82 VAL HG12 . 30478 1 969 . 1 1 90 90 VAL HG13 H 1 0.659 0.000 . . . . . . A 82 VAL HG13 . 30478 1 970 . 1 1 90 90 VAL HG21 H 1 0.659 0.000 . . . . . . A 82 VAL HG21 . 30478 1 971 . 1 1 90 90 VAL HG22 H 1 0.659 0.000 . . . . . . A 82 VAL HG22 . 30478 1 972 . 1 1 90 90 VAL HG23 H 1 0.659 0.000 . . . . . . A 82 VAL HG23 . 30478 1 973 . 1 1 90 90 VAL CA C 13 61.174 0.000 . . . . . . A 82 VAL CA . 30478 1 974 . 1 1 90 90 VAL CB C 13 35.6 0.000 . . . . . . A 82 VAL CB . 30478 1 975 . 1 1 90 90 VAL CG1 C 13 20.63 0.000 . . . . . . A 82 VAL CG1 . 30478 1 976 . 1 1 90 90 VAL CG2 C 13 20.635 0.000 . . . . . . A 82 VAL CG2 . 30478 1 977 . 1 1 90 90 VAL N N 15 116.694 0.000 . . . . . . A 82 VAL N . 30478 1 978 . 1 1 91 91 VAL H H 1 9.712 0.000 . . . . . . A 83 VAL H . 30478 1 979 . 1 1 91 91 VAL HA H 1 4.162 0.000 . . . . . . A 83 VAL HA . 30478 1 980 . 1 1 91 91 VAL HB H 1 1.373 0.000 . . . . . . A 83 VAL HB . 30478 1 981 . 1 1 91 91 VAL HG11 H 1 -0.282 0.000 . . . . . . A 83 VAL HG11 . 30478 1 982 . 1 1 91 91 VAL HG12 H 1 -0.282 0.000 . . . . . . A 83 VAL HG12 . 30478 1 983 . 1 1 91 91 VAL HG13 H 1 -0.282 0.000 . . . . . . A 83 VAL HG13 . 30478 1 984 . 1 1 91 91 VAL HG21 H 1 0.364 0.000 . . . . . . A 83 VAL HG21 . 30478 1 985 . 1 1 91 91 VAL HG22 H 1 0.364 0.000 . . . . . . A 83 VAL HG22 . 30478 1 986 . 1 1 91 91 VAL HG23 H 1 0.364 0.000 . . . . . . A 83 VAL HG23 . 30478 1 987 . 1 1 91 91 VAL CA C 13 60.977 0.000 . . . . . . A 83 VAL CA . 30478 1 988 . 1 1 91 91 VAL CB C 13 32.137 0.000 . . . . . . A 83 VAL CB . 30478 1 989 . 1 1 91 91 VAL CG1 C 13 19.36 0.000 . . . . . . A 83 VAL CG1 . 30478 1 990 . 1 1 91 91 VAL CG2 C 13 22.395 0.000 . . . . . . A 83 VAL CG2 . 30478 1 991 . 1 1 91 91 VAL N N 15 130.932 0.000 . . . . . . A 83 VAL N . 30478 1 992 . 1 1 92 92 GLN H H 1 8.858 0.000 . . . . . . A 84 GLN H . 30478 1 993 . 1 1 92 92 GLN HA H 1 4.904 0.000 . . . . . . A 84 GLN HA . 30478 1 994 . 1 1 92 92 GLN HB2 H 1 1.698 0.000 . . . . . . A 84 GLN HB2 . 30478 1 995 . 1 1 92 92 GLN HB3 H 1 2.061 0.000 . . . . . . A 84 GLN HB3 . 30478 1 996 . 1 1 92 92 GLN HG2 H 1 2.194 0.000 . . . . . . A 84 GLN HG2 . 30478 1 997 . 1 1 92 92 GLN HG3 H 1 2.35 0.000 . . . . . . A 84 GLN HG3 . 30478 1 998 . 1 1 92 92 GLN HE21 H 1 6.748 0.000 . . . . . . A 84 GLN HE21 . 30478 1 999 . 1 1 92 92 GLN HE22 H 1 7.311 0.000 . . . . . . A 84 GLN HE22 . 30478 1 1000 . 1 1 92 92 GLN CA C 13 53.608 0.000 . . . . . . A 84 GLN CA . 30478 1 1001 . 1 1 92 92 GLN CB C 13 31.184 0.000 . . . . . . A 84 GLN CB . 30478 1 1002 . 1 1 92 92 GLN CG C 13 32.488 0.000 . . . . . . A 84 GLN CG . 30478 1 1003 . 1 1 92 92 GLN N N 15 122.123 0.000 . . . . . . A 84 GLN N . 30478 1 1004 . 1 1 92 92 GLN NE2 N 15 107.455 0.000 . . . . . . A 84 GLN NE2 . 30478 1 1005 . 1 1 93 93 LEU H H 1 8.401 0.000 . . . . . . A 85 LEU H . 30478 1 1006 . 1 1 93 93 LEU HA H 1 5.263 0.000 . . . . . . A 85 LEU HA . 30478 1 1007 . 1 1 93 93 LEU HB2 H 1 1.412 0.000 . . . . . . A 85 LEU HB2 . 30478 1 1008 . 1 1 93 93 LEU HB3 H 1 1.923 0.000 . . . . . . A 85 LEU HB3 . 30478 1 1009 . 1 1 93 93 LEU HG H 1 1.69 0.000 . . . . . . A 85 LEU HG . 30478 1 1010 . 1 1 93 93 LEU HD11 H 1 1.036 0.000 . . . . . . A 85 LEU HD11 . 30478 1 1011 . 1 1 93 93 LEU HD12 H 1 1.036 0.000 . . . . . . A 85 LEU HD12 . 30478 1 1012 . 1 1 93 93 LEU HD13 H 1 1.036 0.000 . . . . . . A 85 LEU HD13 . 30478 1 1013 . 1 1 93 93 LEU HD21 H 1 0.996 0.000 . . . . . . A 85 LEU HD21 . 30478 1 1014 . 1 1 93 93 LEU HD22 H 1 0.996 0.000 . . . . . . A 85 LEU HD22 . 30478 1 1015 . 1 1 93 93 LEU HD23 H 1 0.996 0.000 . . . . . . A 85 LEU HD23 . 30478 1 1016 . 1 1 93 93 LEU CA C 13 53.961 0.000 . . . . . . A 85 LEU CA . 30478 1 1017 . 1 1 93 93 LEU CB C 13 44.5 0.000 . . . . . . A 85 LEU CB . 30478 1 1018 . 1 1 93 93 LEU CG C 13 27.449 0.000 . . . . . . A 85 LEU CG . 30478 1 1019 . 1 1 93 93 LEU CD1 C 13 25.583 0.000 . . . . . . A 85 LEU CD1 . 30478 1 1020 . 1 1 93 93 LEU CD2 C 13 24.561 0.000 . . . . . . A 85 LEU CD2 . 30478 1 1021 . 1 1 93 93 LEU N N 15 120.97 0.000 . . . . . . A 85 LEU N . 30478 1 1022 . 1 1 94 94 GLU H H 1 9.036 0.000 . . . . . . A 86 GLU H . 30478 1 1023 . 1 1 94 94 GLU HA H 1 4.566 0.000 . . . . . . A 86 GLU HA . 30478 1 1024 . 1 1 94 94 GLU HB2 H 1 1.729 0.000 . . . . . . A 86 GLU HB2 . 30478 1 1025 . 1 1 94 94 GLU HB3 H 1 1.905 0.000 . . . . . . A 86 GLU HB3 . 30478 1 1026 . 1 1 94 94 GLU HG2 H 1 2.124 0.000 . . . . . . A 86 GLU HG2 . 30478 1 1027 . 1 1 94 94 GLU HG3 H 1 2.06 0.000 . . . . . . A 86 GLU HG3 . 30478 1 1028 . 1 1 94 94 GLU CA C 13 55.161 0.000 . . . . . . A 86 GLU CA . 30478 1 1029 . 1 1 94 94 GLU CB C 13 31.607 0.000 . . . . . . A 86 GLU CB . 30478 1 1030 . 1 1 94 94 GLU CG C 13 36.397 0.000 . . . . . . A 86 GLU CG . 30478 1 1031 . 1 1 94 94 GLU N N 15 125.629 0.000 . . . . . . A 86 GLU N . 30478 1 1032 . 1 1 95 95 GLY H H 1 8.346 0.000 . . . . . . A 87 GLY H . 30478 1 1033 . 1 1 95 95 GLY HA2 H 1 3.741 0.000 . . . . . . A 87 GLY HA2 . 30478 1 1034 . 1 1 95 95 GLY HA3 H 1 4.107 0.000 . . . . . . A 87 GLY HA3 . 30478 1 1035 . 1 1 95 95 GLY CA C 13 45.999 0.000 . . . . . . A 87 GLY CA . 30478 1 1036 . 1 1 95 95 GLY N N 15 109.938 0.000 . . . . . . A 87 GLY N . 30478 1 1037 . 1 1 96 96 ASP H H 1 8.44 0.000 . . . . . . A 88 ASP H . 30478 1 1038 . 1 1 96 96 ASP HA H 1 4.785 0.000 . . . . . . A 88 ASP HA . 30478 1 1039 . 1 1 96 96 ASP HB2 H 1 2.797 0.000 . . . . . . A 88 ASP HB2 . 30478 1 1040 . 1 1 96 96 ASP HB3 H 1 2.73 0.000 . . . . . . A 88 ASP HB3 . 30478 1 1041 . 1 1 96 96 ASP CA C 13 54.776 0.000 . . . . . . A 88 ASP CA . 30478 1 1042 . 1 1 96 96 ASP CB C 13 41.897 0.000 . . . . . . A 88 ASP CB . 30478 1 1043 . 1 1 96 96 ASP N N 15 115.221 0.000 . . . . . . A 88 ASP N . 30478 1 1044 . 1 1 97 97 ASN H H 1 8.171 0.000 . . . . . . A 89 ASN H . 30478 1 1045 . 1 1 97 97 ASN HA H 1 4.879 0.000 . . . . . . A 89 ASN HA . 30478 1 1046 . 1 1 97 97 ASN HB2 H 1 3.455 0.000 . . . . . . A 89 ASN HB2 . 30478 1 1047 . 1 1 97 97 ASN HB3 H 1 2.645 0.000 . . . . . . A 89 ASN HB3 . 30478 1 1048 . 1 1 97 97 ASN HD21 H 1 6.891 0.000 . . . . . . A 89 ASN HD21 . 30478 1 1049 . 1 1 97 97 ASN HD22 H 1 7.366 0.000 . . . . . . A 89 ASN HD22 . 30478 1 1050 . 1 1 97 97 ASN CA C 13 53.187 0.000 . . . . . . A 89 ASN CA . 30478 1 1051 . 1 1 97 97 ASN CB C 13 39.854 0.000 . . . . . . A 89 ASN CB . 30478 1 1052 . 1 1 97 97 ASN N N 15 111.833 0.000 . . . . . . A 89 ASN N . 30478 1 1053 . 1 1 97 97 ASN ND2 N 15 109.791 0.000 . . . . . . A 89 ASN ND2 . 30478 1 1054 . 1 1 98 98 LYS H H 1 7.448 0.000 . . . . . . A 90 LYS H . 30478 1 1055 . 1 1 98 98 LYS HA H 1 5.727 0.000 . . . . . . A 90 LYS HA . 30478 1 1056 . 1 1 98 98 LYS HB2 H 1 1.931 0.000 . . . . . . A 90 LYS HB2 . 30478 1 1057 . 1 1 98 98 LYS HB3 H 1 1.661 0.000 . . . . . . A 90 LYS HB3 . 30478 1 1058 . 1 1 98 98 LYS HG2 H 1 1.344 0.000 . . . . . . A 90 LYS HG2 . 30478 1 1059 . 1 1 98 98 LYS HG3 H 1 1.107 0.000 . . . . . . A 90 LYS HG3 . 30478 1 1060 . 1 1 98 98 LYS HD2 H 1 1.566 0.000 . . . . . . A 90 LYS HD2 . 30478 1 1061 . 1 1 98 98 LYS HD3 H 1 1.566 0.000 . . . . . . A 90 LYS HD3 . 30478 1 1062 . 1 1 98 98 LYS CA C 13 55.132 0.000 . . . . . . A 90 LYS CA . 30478 1 1063 . 1 1 98 98 LYS CB C 13 36.251 0.000 . . . . . . A 90 LYS CB . 30478 1 1064 . 1 1 98 98 LYS CG C 13 25.197 0.000 . . . . . . A 90 LYS CG . 30478 1 1065 . 1 1 98 98 LYS CD C 13 29.362 0.000 . . . . . . A 90 LYS CD . 30478 1 1066 . 1 1 98 98 LYS N N 15 115.959 0.000 . . . . . . A 90 LYS N . 30478 1 1067 . 1 1 99 99 LEU H H 1 9.025 0.000 . . . . . . A 91 LEU H . 30478 1 1068 . 1 1 99 99 LEU HA H 1 5.201 0.000 . . . . . . A 91 LEU HA . 30478 1 1069 . 1 1 99 99 LEU HB2 H 1 1.437 0.000 . . . . . . A 91 LEU HB2 . 30478 1 1070 . 1 1 99 99 LEU HB3 H 1 0.772 0.000 . . . . . . A 91 LEU HB3 . 30478 1 1071 . 1 1 99 99 LEU HG H 1 1.082 0.000 . . . . . . A 91 LEU HG . 30478 1 1072 . 1 1 99 99 LEU HD11 H 1 -0.059 0.000 . . . . . . A 91 LEU HD11 . 30478 1 1073 . 1 1 99 99 LEU HD12 H 1 -0.059 0.000 . . . . . . A 91 LEU HD12 . 30478 1 1074 . 1 1 99 99 LEU HD13 H 1 -0.059 0.000 . . . . . . A 91 LEU HD13 . 30478 1 1075 . 1 1 99 99 LEU HD21 H 1 0.165 0.000 . . . . . . A 91 LEU HD21 . 30478 1 1076 . 1 1 99 99 LEU HD22 H 1 0.165 0.000 . . . . . . A 91 LEU HD22 . 30478 1 1077 . 1 1 99 99 LEU HD23 H 1 0.165 0.000 . . . . . . A 91 LEU HD23 . 30478 1 1078 . 1 1 99 99 LEU CA C 13 52.764 0.000 . . . . . . A 91 LEU CA . 30478 1 1079 . 1 1 99 99 LEU CB C 13 44.46 0.000 . . . . . . A 91 LEU CB . 30478 1 1080 . 1 1 99 99 LEU CG C 13 25.626 0.000 . . . . . . A 91 LEU CG . 30478 1 1081 . 1 1 99 99 LEU CD1 C 13 25.595 0.000 . . . . . . A 91 LEU CD1 . 30478 1 1082 . 1 1 99 99 LEU CD2 C 13 23.788 0.000 . . . . . . A 91 LEU CD2 . 30478 1 1083 . 1 1 99 99 LEU N N 15 121.545 0.000 . . . . . . A 91 LEU N . 30478 1 1084 . 1 1 100 100 VAL H H 1 9.193 0.000 . . . . . . A 92 VAL H . 30478 1 1085 . 1 1 100 100 VAL HA H 1 5.045 0.000 . . . . . . A 92 VAL HA . 30478 1 1086 . 1 1 100 100 VAL HB H 1 1.823 0.000 . . . . . . A 92 VAL HB . 30478 1 1087 . 1 1 100 100 VAL HG11 H 1 0.861 0.000 . . . . . . A 92 VAL HG11 . 30478 1 1088 . 1 1 100 100 VAL HG12 H 1 0.861 0.000 . . . . . . A 92 VAL HG12 . 30478 1 1089 . 1 1 100 100 VAL HG13 H 1 0.861 0.000 . . . . . . A 92 VAL HG13 . 30478 1 1090 . 1 1 100 100 VAL HG21 H 1 0.861 0.000 . . . . . . A 92 VAL HG21 . 30478 1 1091 . 1 1 100 100 VAL HG22 H 1 0.861 0.000 . . . . . . A 92 VAL HG22 . 30478 1 1092 . 1 1 100 100 VAL HG23 H 1 0.861 0.000 . . . . . . A 92 VAL HG23 . 30478 1 1093 . 1 1 100 100 VAL CA C 13 60.409 0.000 . . . . . . A 92 VAL CA . 30478 1 1094 . 1 1 100 100 VAL CB C 13 35.391 0.000 . . . . . . A 92 VAL CB . 30478 1 1095 . 1 1 100 100 VAL CG1 C 13 21.23 0.000 . . . . . . A 92 VAL CG1 . 30478 1 1096 . 1 1 100 100 VAL CG2 C 13 21.229 0.000 . . . . . . A 92 VAL CG2 . 30478 1 1097 . 1 1 100 100 VAL N N 15 119.853 0.000 . . . . . . A 92 VAL N . 30478 1 1098 . 1 1 101 101 THR H H 1 8.764 0.000 . . . . . . A 93 THR H . 30478 1 1099 . 1 1 101 101 THR HA H 1 4.59 0.000 . . . . . . A 93 THR HA . 30478 1 1100 . 1 1 101 101 THR HB H 1 3.818 0.000 . . . . . . A 93 THR HB . 30478 1 1101 . 1 1 101 101 THR HG21 H 1 0.507 0.000 . . . . . . A 93 THR HG21 . 30478 1 1102 . 1 1 101 101 THR HG22 H 1 0.507 0.000 . . . . . . A 93 THR HG22 . 30478 1 1103 . 1 1 101 101 THR HG23 H 1 0.507 0.000 . . . . . . A 93 THR HG23 . 30478 1 1104 . 1 1 101 101 THR CA C 13 60.538 0.000 . . . . . . A 93 THR CA . 30478 1 1105 . 1 1 101 101 THR CB C 13 69.058 0.000 . . . . . . A 93 THR CB . 30478 1 1106 . 1 1 101 101 THR CG2 C 13 18.639 0.000 . . . . . . A 93 THR CG2 . 30478 1 1107 . 1 1 101 101 THR N N 15 117.87 0.000 . . . . . . A 93 THR N . 30478 1 1108 . 1 1 102 102 THR H H 1 7.937 0.000 . . . . . . A 94 THR H . 30478 1 1109 . 1 1 102 102 THR HA H 1 5.063 0.000 . . . . . . A 94 THR HA . 30478 1 1110 . 1 1 102 102 THR HB H 1 3.816 0.000 . . . . . . A 94 THR HB . 30478 1 1111 . 1 1 102 102 THR HG21 H 1 0.976 0.000 . . . . . . A 94 THR HG21 . 30478 1 1112 . 1 1 102 102 THR HG22 H 1 0.976 0.000 . . . . . . A 94 THR HG22 . 30478 1 1113 . 1 1 102 102 THR HG23 H 1 0.976 0.000 . . . . . . A 94 THR HG23 . 30478 1 1114 . 1 1 102 102 THR CA C 13 59.469 0.000 . . . . . . A 94 THR CA . 30478 1 1115 . 1 1 102 102 THR CB C 13 71.43 0.000 . . . . . . A 94 THR CB . 30478 1 1116 . 1 1 102 102 THR CG2 C 13 21.286 0.000 . . . . . . A 94 THR CG2 . 30478 1 1117 . 1 1 102 102 THR N N 15 112.563 0.000 . . . . . . A 94 THR N . 30478 1 1118 . 1 1 103 103 PHE H H 1 8.59 0.000 . . . . . . A 95 PHE H . 30478 1 1119 . 1 1 103 103 PHE HA H 1 4.681 0.000 . . . . . . A 95 PHE HA . 30478 1 1120 . 1 1 103 103 PHE HB2 H 1 2.843 0.000 . . . . . . A 95 PHE HB2 . 30478 1 1121 . 1 1 103 103 PHE HB3 H 1 2.914 0.000 . . . . . . A 95 PHE HB3 . 30478 1 1122 . 1 1 103 103 PHE HD1 H 1 6.802 0.000 . . . . . . A 95 PHE HD1 . 30478 1 1123 . 1 1 103 103 PHE HD2 H 1 6.802 0.000 . . . . . . A 95 PHE HD2 . 30478 1 1124 . 1 1 103 103 PHE HE1 H 1 7.01 0.000 . . . . . . A 95 PHE HE1 . 30478 1 1125 . 1 1 103 103 PHE HE2 H 1 7.01 0.000 . . . . . . A 95 PHE HE2 . 30478 1 1126 . 1 1 103 103 PHE HZ H 1 7.173 0.000 . . . . . . A 95 PHE HZ . 30478 1 1127 . 1 1 103 103 PHE CA C 13 55.629 0.000 . . . . . . A 95 PHE CA . 30478 1 1128 . 1 1 103 103 PHE CB C 13 40.196 0.000 . . . . . . A 95 PHE CB . 30478 1 1129 . 1 1 103 103 PHE CD1 C 13 131.914 0.000 . . . . . . A 95 PHE CD1 . 30478 1 1130 . 1 1 103 103 PHE CD2 C 13 131.921 0.000 . . . . . . A 95 PHE CD2 . 30478 1 1131 . 1 1 103 103 PHE CE1 C 13 130.791 0.000 . . . . . . A 95 PHE CE1 . 30478 1 1132 . 1 1 103 103 PHE CE2 C 13 130.79 0.000 . . . . . . A 95 PHE CE2 . 30478 1 1133 . 1 1 103 103 PHE CZ C 13 128.901 0.000 . . . . . . A 95 PHE CZ . 30478 1 1134 . 1 1 103 103 PHE N N 15 118.742 0.000 . . . . . . A 95 PHE N . 30478 1 1135 . 1 1 104 104 LYS H H 1 9.156 0.000 . . . . . . A 96 LYS H . 30478 1 1136 . 1 1 104 104 LYS HA H 1 3.741 0.000 . . . . . . A 96 LYS HA . 30478 1 1137 . 1 1 104 104 LYS HB2 H 1 1.942 0.000 . . . . . . A 96 LYS HB2 . 30478 1 1138 . 1 1 104 104 LYS HB3 H 1 2.021 0.000 . . . . . . A 96 LYS HB3 . 30478 1 1139 . 1 1 104 104 LYS HG2 H 1 1.427 0.000 . . . . . . A 96 LYS HG2 . 30478 1 1140 . 1 1 104 104 LYS HG3 H 1 1.427 0.000 . . . . . . A 96 LYS HG3 . 30478 1 1141 . 1 1 104 104 LYS HD2 H 1 1.676 0.000 . . . . . . A 96 LYS HD2 . 30478 1 1142 . 1 1 104 104 LYS HD3 H 1 1.676 0.000 . . . . . . A 96 LYS HD3 . 30478 1 1143 . 1 1 104 104 LYS HE2 H 1 2.912 0.000 . . . . . . A 96 LYS HE2 . 30478 1 1144 . 1 1 104 104 LYS HE3 H 1 2.912 0.000 . . . . . . A 96 LYS HE3 . 30478 1 1145 . 1 1 104 104 LYS CA C 13 58.361 0.000 . . . . . . A 96 LYS CA . 30478 1 1146 . 1 1 104 104 LYS CB C 13 29.357 0.000 . . . . . . A 96 LYS CB . 30478 1 1147 . 1 1 104 104 LYS CG C 13 25.103 0.000 . . . . . . A 96 LYS CG . 30478 1 1148 . 1 1 104 104 LYS CD C 13 29.249 0.000 . . . . . . A 96 LYS CD . 30478 1 1149 . 1 1 104 104 LYS N N 15 117.94 0.000 . . . . . . A 96 LYS N . 30478 1 1150 . 1 1 105 105 ASN H H 1 8.49 0.000 . . . . . . A 97 ASN H . 30478 1 1151 . 1 1 105 105 ASN HA H 1 4.385 0.000 . . . . . . A 97 ASN HA . 30478 1 1152 . 1 1 105 105 ASN HB2 H 1 2.978 0.000 . . . . . . A 97 ASN HB2 . 30478 1 1153 . 1 1 105 105 ASN HB3 H 1 2.883 0.000 . . . . . . A 97 ASN HB3 . 30478 1 1154 . 1 1 105 105 ASN HD21 H 1 6.73 0.000 . . . . . . A 97 ASN HD21 . 30478 1 1155 . 1 1 105 105 ASN HD22 H 1 7.41 0.000 . . . . . . A 97 ASN HD22 . 30478 1 1156 . 1 1 105 105 ASN CA C 13 54.041 0.000 . . . . . . A 97 ASN CA . 30478 1 1157 . 1 1 105 105 ASN CB C 13 37.773 0.000 . . . . . . A 97 ASN CB . 30478 1 1158 . 1 1 105 105 ASN N N 15 111.791 0.000 . . . . . . A 97 ASN N . 30478 1 1159 . 1 1 105 105 ASN ND2 N 15 109.487 0.000 . . . . . . A 97 ASN ND2 . 30478 1 1160 . 1 1 106 106 ILE H H 1 8.183 0.000 . . . . . . A 98 ILE H . 30478 1 1161 . 1 1 106 106 ILE HA H 1 4.395 0.000 . . . . . . A 98 ILE HA . 30478 1 1162 . 1 1 106 106 ILE HB H 1 2.055 0.000 . . . . . . A 98 ILE HB . 30478 1 1163 . 1 1 106 106 ILE HG12 H 1 0.958 0.000 . . . . . . A 98 ILE HG12 . 30478 1 1164 . 1 1 106 106 ILE HG13 H 1 1.824 0.000 . . . . . . A 98 ILE HG13 . 30478 1 1165 . 1 1 106 106 ILE HG21 H 1 1.032 0.000 . . . . . . A 98 ILE HG21 . 30478 1 1166 . 1 1 106 106 ILE HG22 H 1 1.032 0.000 . . . . . . A 98 ILE HG22 . 30478 1 1167 . 1 1 106 106 ILE HG23 H 1 1.032 0.000 . . . . . . A 98 ILE HG23 . 30478 1 1168 . 1 1 106 106 ILE HD11 H 1 0.955 0.000 . . . . . . A 98 ILE HD11 . 30478 1 1169 . 1 1 106 106 ILE HD12 H 1 0.955 0.000 . . . . . . A 98 ILE HD12 . 30478 1 1170 . 1 1 106 106 ILE HD13 H 1 0.955 0.000 . . . . . . A 98 ILE HD13 . 30478 1 1171 . 1 1 106 106 ILE CA C 13 60.8 0.000 . . . . . . A 98 ILE CA . 30478 1 1172 . 1 1 106 106 ILE CB C 13 40.018 0.000 . . . . . . A 98 ILE CB . 30478 1 1173 . 1 1 106 106 ILE CG1 C 13 28.245 0.000 . . . . . . A 98 ILE CG1 . 30478 1 1174 . 1 1 106 106 ILE CG2 C 13 18.676 0.000 . . . . . . A 98 ILE CG2 . 30478 1 1175 . 1 1 106 106 ILE CD1 C 13 14.604 0.000 . . . . . . A 98 ILE CD1 . 30478 1 1176 . 1 1 106 106 ILE N N 15 119.312 0.000 . . . . . . A 98 ILE N . 30478 1 1177 . 1 1 107 107 LYS H H 1 8.238 0.000 . . . . . . A 99 LYS H . 30478 1 1178 . 1 1 107 107 LYS HA H 1 4.567 0.000 . . . . . . A 99 LYS HA . 30478 1 1179 . 1 1 107 107 LYS HB2 H 1 1.834 0.000 . . . . . . A 99 LYS HB2 . 30478 1 1180 . 1 1 107 107 LYS HB3 H 1 1.738 0.000 . . . . . . A 99 LYS HB3 . 30478 1 1181 . 1 1 107 107 LYS CA C 13 55.739 0.000 . . . . . . A 99 LYS CA . 30478 1 1182 . 1 1 107 107 LYS CB C 13 33.871 0.000 . . . . . . A 99 LYS CB . 30478 1 1183 . 1 1 107 107 LYS N N 15 125.48 0.000 . . . . . . A 99 LYS N . 30478 1 1184 . 1 1 108 108 SER H H 1 8.67 0.000 . . . . . . A 100 SER H . 30478 1 1185 . 1 1 108 108 SER HA H 1 5.331 0.000 . . . . . . A 100 SER HA . 30478 1 1186 . 1 1 108 108 SER HB2 H 1 3.25 0.000 . . . . . . A 100 SER HB2 . 30478 1 1187 . 1 1 108 108 SER HB3 H 1 3.628 0.000 . . . . . . A 100 SER HB3 . 30478 1 1188 . 1 1 108 108 SER CA C 13 56.756 0.000 . . . . . . A 100 SER CA . 30478 1 1189 . 1 1 108 108 SER CB C 13 65.224 0.000 . . . . . . A 100 SER CB . 30478 1 1190 . 1 1 108 108 SER N N 15 117.483 0.000 . . . . . . A 100 SER N . 30478 1 1191 . 1 1 109 109 VAL H H 1 8.72 0.000 . . . . . . A 101 VAL H . 30478 1 1192 . 1 1 109 109 VAL HA H 1 4.814 0.000 . . . . . . A 101 VAL HA . 30478 1 1193 . 1 1 109 109 VAL HB H 1 1.947 0.000 . . . . . . A 101 VAL HB . 30478 1 1194 . 1 1 109 109 VAL HG11 H 1 0.925 0.000 . . . . . . A 101 VAL HG11 . 30478 1 1195 . 1 1 109 109 VAL HG12 H 1 0.925 0.000 . . . . . . A 101 VAL HG12 . 30478 1 1196 . 1 1 109 109 VAL HG13 H 1 0.925 0.000 . . . . . . A 101 VAL HG13 . 30478 1 1197 . 1 1 109 109 VAL HG21 H 1 0.838 0.000 . . . . . . A 101 VAL HG21 . 30478 1 1198 . 1 1 109 109 VAL HG22 H 1 0.838 0.000 . . . . . . A 101 VAL HG22 . 30478 1 1199 . 1 1 109 109 VAL HG23 H 1 0.838 0.000 . . . . . . A 101 VAL HG23 . 30478 1 1200 . 1 1 109 109 VAL CA C 13 61.385 0.000 . . . . . . A 101 VAL CA . 30478 1 1201 . 1 1 109 109 VAL CB C 13 35.091 0.000 . . . . . . A 101 VAL CB . 30478 1 1202 . 1 1 109 109 VAL CG1 C 13 21.18 0.000 . . . . . . A 101 VAL CG1 . 30478 1 1203 . 1 1 109 109 VAL CG2 C 13 21.182 0.000 . . . . . . A 101 VAL CG2 . 30478 1 1204 . 1 1 109 109 VAL N N 15 126.143 0.000 . . . . . . A 101 VAL N . 30478 1 1205 . 1 1 110 110 THR H H 1 9.565 0.000 . . . . . . A 102 THR H . 30478 1 1206 . 1 1 110 110 THR HA H 1 5.109 0.000 . . . . . . A 102 THR HA . 30478 1 1207 . 1 1 110 110 THR HB H 1 3.967 0.000 . . . . . . A 102 THR HB . 30478 1 1208 . 1 1 110 110 THR HG21 H 1 1.227 0.000 . . . . . . A 102 THR HG21 . 30478 1 1209 . 1 1 110 110 THR HG22 H 1 1.227 0.000 . . . . . . A 102 THR HG22 . 30478 1 1210 . 1 1 110 110 THR HG23 H 1 1.227 0.000 . . . . . . A 102 THR HG23 . 30478 1 1211 . 1 1 110 110 THR CA C 13 61.759 0.000 . . . . . . A 102 THR CA . 30478 1 1212 . 1 1 110 110 THR CB C 13 69.952 0.000 . . . . . . A 102 THR CB . 30478 1 1213 . 1 1 110 110 THR CG2 C 13 23.064 0.000 . . . . . . A 102 THR CG2 . 30478 1 1214 . 1 1 110 110 THR N N 15 127.208 0.000 . . . . . . A 102 THR N . 30478 1 1215 . 1 1 111 111 GLU H H 1 9.13 0.000 . . . . . . A 103 GLU H . 30478 1 1216 . 1 1 111 111 GLU HA H 1 5.454 0.000 . . . . . . A 103 GLU HA . 30478 1 1217 . 1 1 111 111 GLU HB2 H 1 1.942 0.000 . . . . . . A 103 GLU HB2 . 30478 1 1218 . 1 1 111 111 GLU HB3 H 1 1.663 0.000 . . . . . . A 103 GLU HB3 . 30478 1 1219 . 1 1 111 111 GLU HG2 H 1 1.93 0.000 . . . . . . A 103 GLU HG2 . 30478 1 1220 . 1 1 111 111 GLU HG3 H 1 2.063 0.000 . . . . . . A 103 GLU HG3 . 30478 1 1221 . 1 1 111 111 GLU CA C 13 54.418 0.000 . . . . . . A 103 GLU CA . 30478 1 1222 . 1 1 111 111 GLU CB C 13 33.946 0.000 . . . . . . A 103 GLU CB . 30478 1 1223 . 1 1 111 111 GLU CG C 13 36.696 0.000 . . . . . . A 103 GLU CG . 30478 1 1224 . 1 1 111 111 GLU N N 15 124.471 0.000 . . . . . . A 103 GLU N . 30478 1 1225 . 1 1 112 112 LEU H H 1 8.504 0.000 . . . . . . A 104 LEU H . 30478 1 1226 . 1 1 112 112 LEU HA H 1 4.728 0.000 . . . . . . A 104 LEU HA . 30478 1 1227 . 1 1 112 112 LEU HB2 H 1 0.674 0.000 . . . . . . A 104 LEU HB2 . 30478 1 1228 . 1 1 112 112 LEU HB3 H 1 1.217 0.000 . . . . . . A 104 LEU HB3 . 30478 1 1229 . 1 1 112 112 LEU HG H 1 1.125 0.000 . . . . . . A 104 LEU HG . 30478 1 1230 . 1 1 112 112 LEU HD11 H 1 0.6 0.000 . . . . . . A 104 LEU HD11 . 30478 1 1231 . 1 1 112 112 LEU HD12 H 1 0.6 0.000 . . . . . . A 104 LEU HD12 . 30478 1 1232 . 1 1 112 112 LEU HD13 H 1 0.6 0.000 . . . . . . A 104 LEU HD13 . 30478 1 1233 . 1 1 112 112 LEU HD21 H 1 0.289 0.000 . . . . . . A 104 LEU HD21 . 30478 1 1234 . 1 1 112 112 LEU HD22 H 1 0.289 0.000 . . . . . . A 104 LEU HD22 . 30478 1 1235 . 1 1 112 112 LEU HD23 H 1 0.289 0.000 . . . . . . A 104 LEU HD23 . 30478 1 1236 . 1 1 112 112 LEU CA C 13 53.748 0.000 . . . . . . A 104 LEU CA . 30478 1 1237 . 1 1 112 112 LEU CB C 13 45.314 0.000 . . . . . . A 104 LEU CB . 30478 1 1238 . 1 1 112 112 LEU CG C 13 27.019 0.000 . . . . . . A 104 LEU CG . 30478 1 1239 . 1 1 112 112 LEU CD1 C 13 22.962 0.000 . . . . . . A 104 LEU CD1 . 30478 1 1240 . 1 1 112 112 LEU CD2 C 13 26.86 0.000 . . . . . . A 104 LEU CD2 . 30478 1 1241 . 1 1 112 112 LEU N N 15 126.557 0.000 . . . . . . A 104 LEU N . 30478 1 1242 . 1 1 113 113 ASN H H 1 8.916 0.000 . . . . . . A 105 ASN H . 30478 1 1243 . 1 1 113 113 ASN HA H 1 4.875 0.000 . . . . . . A 105 ASN HA . 30478 1 1244 . 1 1 113 113 ASN HB2 H 1 2.566 0.000 . . . . . . A 105 ASN HB2 . 30478 1 1245 . 1 1 113 113 ASN HB3 H 1 2.672 0.000 . . . . . . A 105 ASN HB3 . 30478 1 1246 . 1 1 113 113 ASN HD21 H 1 7.444 0.000 . . . . . . A 105 ASN HD21 . 30478 1 1247 . 1 1 113 113 ASN HD22 H 1 7.036 0.000 . . . . . . A 105 ASN HD22 . 30478 1 1248 . 1 1 113 113 ASN CA C 13 52.375 0.000 . . . . . . A 105 ASN CA . 30478 1 1249 . 1 1 113 113 ASN CB C 13 40.431 0.000 . . . . . . A 105 ASN CB . 30478 1 1250 . 1 1 113 113 ASN N N 15 123.698 0.000 . . . . . . A 105 ASN N . 30478 1 1251 . 1 1 113 113 ASN ND2 N 15 110.204 0.000 . . . . . . A 105 ASN ND2 . 30478 1 1252 . 1 1 114 114 GLY H H 1 8.744 0.000 . . . . . . A 106 GLY H . 30478 1 1253 . 1 1 114 114 GLY HA2 H 1 3.981 0.000 . . . . . . A 106 GLY HA2 . 30478 1 1254 . 1 1 114 114 GLY HA3 H 1 3.541 0.000 . . . . . . A 106 GLY HA3 . 30478 1 1255 . 1 1 114 114 GLY CA C 13 47.853 0.000 . . . . . . A 106 GLY CA . 30478 1 1256 . 1 1 114 114 GLY N N 15 112.578 0.000 . . . . . . A 106 GLY N . 30478 1 1257 . 1 1 115 115 ASP H H 1 8.712 0.000 . . . . . . A 107 ASP H . 30478 1 1258 . 1 1 115 115 ASP HA H 1 4.711 0.000 . . . . . . A 107 ASP HA . 30478 1 1259 . 1 1 115 115 ASP HB2 H 1 2.931 0.000 . . . . . . A 107 ASP HB2 . 30478 1 1260 . 1 1 115 115 ASP HB3 H 1 2.728 0.000 . . . . . . A 107 ASP HB3 . 30478 1 1261 . 1 1 115 115 ASP CA C 13 53.613 0.000 . . . . . . A 107 ASP CA . 30478 1 1262 . 1 1 115 115 ASP CB C 13 41.753 0.000 . . . . . . A 107 ASP CB . 30478 1 1263 . 1 1 115 115 ASP N N 15 124.017 0.000 . . . . . . A 107 ASP N . 30478 1 1264 . 1 1 116 116 ILE H H 1 7.781 0.000 . . . . . . A 108 ILE H . 30478 1 1265 . 1 1 116 116 ILE HA H 1 5.013 0.000 . . . . . . A 108 ILE HA . 30478 1 1266 . 1 1 116 116 ILE HB H 1 2.029 0.000 . . . . . . A 108 ILE HB . 30478 1 1267 . 1 1 116 116 ILE HG12 H 1 1.359 0.000 . . . . . . A 108 ILE HG12 . 30478 1 1268 . 1 1 116 116 ILE HG13 H 1 1.534 0.000 . . . . . . A 108 ILE HG13 . 30478 1 1269 . 1 1 116 116 ILE HG21 H 1 0.854 0.000 . . . . . . A 108 ILE HG21 . 30478 1 1270 . 1 1 116 116 ILE HG22 H 1 0.854 0.000 . . . . . . A 108 ILE HG22 . 30478 1 1271 . 1 1 116 116 ILE HG23 H 1 0.854 0.000 . . . . . . A 108 ILE HG23 . 30478 1 1272 . 1 1 116 116 ILE HD11 H 1 0.777 0.000 . . . . . . A 108 ILE HD11 . 30478 1 1273 . 1 1 116 116 ILE HD12 H 1 0.777 0.000 . . . . . . A 108 ILE HD12 . 30478 1 1274 . 1 1 116 116 ILE HD13 H 1 0.777 0.000 . . . . . . A 108 ILE HD13 . 30478 1 1275 . 1 1 116 116 ILE CA C 13 58.581 0.000 . . . . . . A 108 ILE CA . 30478 1 1276 . 1 1 116 116 ILE CB C 13 39.41 0.000 . . . . . . A 108 ILE CB . 30478 1 1277 . 1 1 116 116 ILE CG1 C 13 26.982 0.000 . . . . . . A 108 ILE CG1 . 30478 1 1278 . 1 1 116 116 ILE CG2 C 13 17.712 0.000 . . . . . . A 108 ILE CG2 . 30478 1 1279 . 1 1 116 116 ILE CD1 C 13 11.052 0.000 . . . . . . A 108 ILE CD1 . 30478 1 1280 . 1 1 116 116 ILE N N 15 116.887 0.000 . . . . . . A 108 ILE N . 30478 1 1281 . 1 1 117 117 ILE H H 1 8.903 0.000 . . . . . . A 109 ILE H . 30478 1 1282 . 1 1 117 117 ILE HA H 1 5.205 0.000 . . . . . . A 109 ILE HA . 30478 1 1283 . 1 1 117 117 ILE HB H 1 1.207 0.000 . . . . . . A 109 ILE HB . 30478 1 1284 . 1 1 117 117 ILE HG12 H 1 1.325 0.000 . . . . . . A 109 ILE HG12 . 30478 1 1285 . 1 1 117 117 ILE HG13 H 1 0.615 0.000 . . . . . . A 109 ILE HG13 . 30478 1 1286 . 1 1 117 117 ILE HG21 H 1 0.436 0.000 . . . . . . A 109 ILE HG21 . 30478 1 1287 . 1 1 117 117 ILE HG22 H 1 0.436 0.000 . . . . . . A 109 ILE HG22 . 30478 1 1288 . 1 1 117 117 ILE HG23 H 1 0.436 0.000 . . . . . . A 109 ILE HG23 . 30478 1 1289 . 1 1 117 117 ILE HD11 H 1 0.329 0.000 . . . . . . A 109 ILE HD11 . 30478 1 1290 . 1 1 117 117 ILE HD12 H 1 0.329 0.000 . . . . . . A 109 ILE HD12 . 30478 1 1291 . 1 1 117 117 ILE HD13 H 1 0.329 0.000 . . . . . . A 109 ILE HD13 . 30478 1 1292 . 1 1 117 117 ILE CA C 13 58.531 0.000 . . . . . . A 109 ILE CA . 30478 1 1293 . 1 1 117 117 ILE CB C 13 41.468 0.000 . . . . . . A 109 ILE CB . 30478 1 1294 . 1 1 117 117 ILE CG1 C 13 29.167 0.000 . . . . . . A 109 ILE CG1 . 30478 1 1295 . 1 1 117 117 ILE CG2 C 13 18.996 0.000 . . . . . . A 109 ILE CG2 . 30478 1 1296 . 1 1 117 117 ILE CD1 C 13 13.914 0.000 . . . . . . A 109 ILE CD1 . 30478 1 1297 . 1 1 117 117 ILE N N 15 125.427 0.000 . . . . . . A 109 ILE N . 30478 1 1298 . 1 1 118 118 THR H H 1 8.863 0.000 . . . . . . A 110 THR H . 30478 1 1299 . 1 1 118 118 THR HA H 1 5.101 0.000 . . . . . . A 110 THR HA . 30478 1 1300 . 1 1 118 118 THR HB H 1 3.943 0.000 . . . . . . A 110 THR HB . 30478 1 1301 . 1 1 118 118 THR HG21 H 1 1.045 0.000 . . . . . . A 110 THR HG21 . 30478 1 1302 . 1 1 118 118 THR HG22 H 1 1.045 0.000 . . . . . . A 110 THR HG22 . 30478 1 1303 . 1 1 118 118 THR HG23 H 1 1.045 0.000 . . . . . . A 110 THR HG23 . 30478 1 1304 . 1 1 118 118 THR CA C 13 60.102 0.000 . . . . . . A 110 THR CA . 30478 1 1305 . 1 1 118 118 THR CB C 13 70.589 0.000 . . . . . . A 110 THR CB . 30478 1 1306 . 1 1 118 118 THR CG2 C 13 21.077 0.000 . . . . . . A 110 THR CG2 . 30478 1 1307 . 1 1 118 118 THR N N 15 118.619 0.000 . . . . . . A 110 THR N . 30478 1 1308 . 1 1 119 119 ASN H H 1 9.096 0.000 . . . . . . A 111 ASN H . 30478 1 1309 . 1 1 119 119 ASN HA H 1 5.654 0.000 . . . . . . A 111 ASN HA . 30478 1 1310 . 1 1 119 119 ASN HB2 H 1 1.948 0.000 . . . . . . A 111 ASN HB2 . 30478 1 1311 . 1 1 119 119 ASN HB3 H 1 2.192 0.000 . . . . . . A 111 ASN HB3 . 30478 1 1312 . 1 1 119 119 ASN HD21 H 1 6.076 0.000 . . . . . . A 111 ASN HD21 . 30478 1 1313 . 1 1 119 119 ASN HD22 H 1 6.688 0.000 . . . . . . A 111 ASN HD22 . 30478 1 1314 . 1 1 119 119 ASN CA C 13 52.394 0.000 . . . . . . A 111 ASN CA . 30478 1 1315 . 1 1 119 119 ASN CB C 13 43.261 0.000 . . . . . . A 111 ASN CB . 30478 1 1316 . 1 1 119 119 ASN N N 15 122.477 0.000 . . . . . . A 111 ASN N . 30478 1 1317 . 1 1 119 119 ASN ND2 N 15 106.795 0.000 . . . . . . A 111 ASN ND2 . 30478 1 1318 . 1 1 120 120 THR H H 1 9.168 0.000 . . . . . . A 112 THR H . 30478 1 1319 . 1 1 120 120 THR HA H 1 4.765 0.000 . . . . . . A 112 THR HA . 30478 1 1320 . 1 1 120 120 THR HB H 1 3.792 0.000 . . . . . . A 112 THR HB . 30478 1 1321 . 1 1 120 120 THR HG21 H 1 0.951 0.000 . . . . . . A 112 THR HG21 . 30478 1 1322 . 1 1 120 120 THR HG22 H 1 0.951 0.000 . . . . . . A 112 THR HG22 . 30478 1 1323 . 1 1 120 120 THR HG23 H 1 0.951 0.000 . . . . . . A 112 THR HG23 . 30478 1 1324 . 1 1 120 120 THR CA C 13 61.63 0.000 . . . . . . A 112 THR CA . 30478 1 1325 . 1 1 120 120 THR CB C 13 69.952 0.000 . . . . . . A 112 THR CB . 30478 1 1326 . 1 1 120 120 THR CG2 C 13 22.052 0.000 . . . . . . A 112 THR CG2 . 30478 1 1327 . 1 1 120 120 THR N N 15 120.811 0.000 . . . . . . A 112 THR N . 30478 1 1328 . 1 1 121 121 MET H H 1 9.071 0.000 . . . . . . A 113 MET H . 30478 1 1329 . 1 1 121 121 MET HA H 1 5.527 0.000 . . . . . . A 113 MET HA . 30478 1 1330 . 1 1 121 121 MET HB2 H 1 1.61 0.000 . . . . . . A 113 MET HB2 . 30478 1 1331 . 1 1 121 121 MET HB3 H 1 1.925 0.000 . . . . . . A 113 MET HB3 . 30478 1 1332 . 1 1 121 121 MET HG2 H 1 2.398 0.000 . . . . . . A 113 MET HG2 . 30478 1 1333 . 1 1 121 121 MET HG3 H 1 2.398 0.000 . . . . . . A 113 MET HG3 . 30478 1 1334 . 1 1 121 121 MET HE1 H 1 1.926 0.000 . . . . . . A 113 MET HE1 . 30478 1 1335 . 1 1 121 121 MET HE2 H 1 1.926 0.000 . . . . . . A 113 MET HE2 . 30478 1 1336 . 1 1 121 121 MET HE3 H 1 1.926 0.000 . . . . . . A 113 MET HE3 . 30478 1 1337 . 1 1 121 121 MET CA C 13 54.256 0.000 . . . . . . A 113 MET CA . 30478 1 1338 . 1 1 121 121 MET CB C 13 37.534 0.000 . . . . . . A 113 MET CB . 30478 1 1339 . 1 1 121 121 MET CG C 13 32.995 0.000 . . . . . . A 113 MET CG . 30478 1 1340 . 1 1 121 121 MET CE C 13 18.584 0.000 . . . . . . A 113 MET CE . 30478 1 1341 . 1 1 121 121 MET N N 15 124.156 0.000 . . . . . . A 113 MET N . 30478 1 1342 . 1 1 122 122 THR H H 1 8.487 0.000 . . . . . . A 114 THR H . 30478 1 1343 . 1 1 122 122 THR HA H 1 5.308 0.000 . . . . . . A 114 THR HA . 30478 1 1344 . 1 1 122 122 THR HB H 1 3.951 0.000 . . . . . . A 114 THR HB . 30478 1 1345 . 1 1 122 122 THR HG21 H 1 1.134 0.000 . . . . . . A 114 THR HG21 . 30478 1 1346 . 1 1 122 122 THR HG22 H 1 1.134 0.000 . . . . . . A 114 THR HG22 . 30478 1 1347 . 1 1 122 122 THR HG23 H 1 1.134 0.000 . . . . . . A 114 THR HG23 . 30478 1 1348 . 1 1 122 122 THR CA C 13 61.233 0.000 . . . . . . A 114 THR CA . 30478 1 1349 . 1 1 122 122 THR CB C 13 70.73 0.000 . . . . . . A 114 THR CB . 30478 1 1350 . 1 1 122 122 THR CG2 C 13 21.757 0.000 . . . . . . A 114 THR CG2 . 30478 1 1351 . 1 1 122 122 THR N N 15 114.386 0.000 . . . . . . A 114 THR N . 30478 1 1352 . 1 1 123 123 LEU H H 1 8.86 0.000 . . . . . . A 115 LEU H . 30478 1 1353 . 1 1 123 123 LEU HA H 1 4.699 0.000 . . . . . . A 115 LEU HA . 30478 1 1354 . 1 1 123 123 LEU HB2 H 1 1.258 0.000 . . . . . . A 115 LEU HB2 . 30478 1 1355 . 1 1 123 123 LEU HB3 H 1 1.724 0.000 . . . . . . A 115 LEU HB3 . 30478 1 1356 . 1 1 123 123 LEU HG H 1 1.357 0.000 . . . . . . A 115 LEU HG . 30478 1 1357 . 1 1 123 123 LEU HD11 H 1 0.699 0.000 . . . . . . A 115 LEU HD11 . 30478 1 1358 . 1 1 123 123 LEU HD12 H 1 0.699 0.000 . . . . . . A 115 LEU HD12 . 30478 1 1359 . 1 1 123 123 LEU HD13 H 1 0.699 0.000 . . . . . . A 115 LEU HD13 . 30478 1 1360 . 1 1 123 123 LEU HD21 H 1 0.503 0.000 . . . . . . A 115 LEU HD21 . 30478 1 1361 . 1 1 123 123 LEU HD22 H 1 0.503 0.000 . . . . . . A 115 LEU HD22 . 30478 1 1362 . 1 1 123 123 LEU HD23 H 1 0.503 0.000 . . . . . . A 115 LEU HD23 . 30478 1 1363 . 1 1 123 123 LEU CA C 13 53.731 0.000 . . . . . . A 115 LEU CA . 30478 1 1364 . 1 1 123 123 LEU CB C 13 44.788 0.000 . . . . . . A 115 LEU CB . 30478 1 1365 . 1 1 123 123 LEU CG C 13 27.73 0.000 . . . . . . A 115 LEU CG . 30478 1 1366 . 1 1 123 123 LEU CD1 C 13 23.48 0.000 . . . . . . A 115 LEU CD1 . 30478 1 1367 . 1 1 123 123 LEU CD2 C 13 26.187 0.000 . . . . . . A 115 LEU CD2 . 30478 1 1368 . 1 1 123 123 LEU N N 15 126.878 0.000 . . . . . . A 115 LEU N . 30478 1 1369 . 1 1 124 124 GLY H H 1 9.021 0.000 . . . . . . A 116 GLY H . 30478 1 1370 . 1 1 124 124 GLY HA2 H 1 3.592 0.000 . . . . . . A 116 GLY HA2 . 30478 1 1371 . 1 1 124 124 GLY HA3 H 1 3.921 0.000 . . . . . . A 116 GLY HA3 . 30478 1 1372 . 1 1 124 124 GLY CA C 13 47.521 0.000 . . . . . . A 116 GLY CA . 30478 1 1373 . 1 1 124 124 GLY N N 15 114.986 0.000 . . . . . . A 116 GLY N . 30478 1 1374 . 1 1 125 125 ASP H H 1 8.593 0.000 . . . . . . A 117 ASP H . 30478 1 1375 . 1 1 125 125 ASP HA H 1 4.577 0.000 . . . . . . A 117 ASP HA . 30478 1 1376 . 1 1 125 125 ASP HB2 H 1 2.655 0.000 . . . . . . A 117 ASP HB2 . 30478 1 1377 . 1 1 125 125 ASP HB3 H 1 2.714 0.000 . . . . . . A 117 ASP HB3 . 30478 1 1378 . 1 1 125 125 ASP CA C 13 53.89 0.000 . . . . . . A 117 ASP CA . 30478 1 1379 . 1 1 125 125 ASP CB C 13 40.922 0.000 . . . . . . A 117 ASP CB . 30478 1 1380 . 1 1 125 125 ASP N N 15 123.685 0.000 . . . . . . A 117 ASP N . 30478 1 1381 . 1 1 126 126 ILE H H 1 8.317 0.000 . . . . . . A 118 ILE H . 30478 1 1382 . 1 1 126 126 ILE HA H 1 4.028 0.000 . . . . . . A 118 ILE HA . 30478 1 1383 . 1 1 126 126 ILE HB H 1 2.216 0.000 . . . . . . A 118 ILE HB . 30478 1 1384 . 1 1 126 126 ILE HG12 H 1 1.029 0.000 . . . . . . A 118 ILE HG12 . 30478 1 1385 . 1 1 126 126 ILE HG13 H 1 1.686 0.000 . . . . . . A 118 ILE HG13 . 30478 1 1386 . 1 1 126 126 ILE HG21 H 1 0.947 0.000 . . . . . . A 118 ILE HG21 . 30478 1 1387 . 1 1 126 126 ILE HG22 H 1 0.947 0.000 . . . . . . A 118 ILE HG22 . 30478 1 1388 . 1 1 126 126 ILE HG23 H 1 0.947 0.000 . . . . . . A 118 ILE HG23 . 30478 1 1389 . 1 1 126 126 ILE HD11 H 1 0.765 0.000 . . . . . . A 118 ILE HD11 . 30478 1 1390 . 1 1 126 126 ILE HD12 H 1 0.765 0.000 . . . . . . A 118 ILE HD12 . 30478 1 1391 . 1 1 126 126 ILE HD13 H 1 0.765 0.000 . . . . . . A 118 ILE HD13 . 30478 1 1392 . 1 1 126 126 ILE CA C 13 61.601 0.000 . . . . . . A 118 ILE CA . 30478 1 1393 . 1 1 126 126 ILE CB C 13 38.797 0.000 . . . . . . A 118 ILE CB . 30478 1 1394 . 1 1 126 126 ILE CG1 C 13 27.266 0.000 . . . . . . A 118 ILE CG1 . 30478 1 1395 . 1 1 126 126 ILE CG2 C 13 17.969 0.000 . . . . . . A 118 ILE CG2 . 30478 1 1396 . 1 1 126 126 ILE CD1 C 13 13.872 0.000 . . . . . . A 118 ILE CD1 . 30478 1 1397 . 1 1 126 126 ILE N N 15 119.758 0.000 . . . . . . A 118 ILE N . 30478 1 1398 . 1 1 127 127 VAL H H 1 8.28 0.000 . . . . . . A 119 VAL H . 30478 1 1399 . 1 1 127 127 VAL HA H 1 4.712 0.000 . . . . . . A 119 VAL HA . 30478 1 1400 . 1 1 127 127 VAL HB H 1 1.96 0.000 . . . . . . A 119 VAL HB . 30478 1 1401 . 1 1 127 127 VAL HG11 H 1 0.736 0.000 . . . . . . A 119 VAL HG11 . 30478 1 1402 . 1 1 127 127 VAL HG12 H 1 0.736 0.000 . . . . . . A 119 VAL HG12 . 30478 1 1403 . 1 1 127 127 VAL HG13 H 1 0.736 0.000 . . . . . . A 119 VAL HG13 . 30478 1 1404 . 1 1 127 127 VAL HG21 H 1 0.858 0.000 . . . . . . A 119 VAL HG21 . 30478 1 1405 . 1 1 127 127 VAL HG22 H 1 0.858 0.000 . . . . . . A 119 VAL HG22 . 30478 1 1406 . 1 1 127 127 VAL HG23 H 1 0.858 0.000 . . . . . . A 119 VAL HG23 . 30478 1 1407 . 1 1 127 127 VAL CA C 13 61.262 0.000 . . . . . . A 119 VAL CA . 30478 1 1408 . 1 1 127 127 VAL CB C 13 32.902 0.000 . . . . . . A 119 VAL CB . 30478 1 1409 . 1 1 127 127 VAL CG1 C 13 21.81 0.000 . . . . . . A 119 VAL CG1 . 30478 1 1410 . 1 1 127 127 VAL CG2 C 13 20.676 0.000 . . . . . . A 119 VAL CG2 . 30478 1 1411 . 1 1 127 127 VAL N N 15 124.72 0.000 . . . . . . A 119 VAL N . 30478 1 1412 . 1 1 128 128 PHE H H 1 9.174 0.000 . . . . . . A 120 PHE H . 30478 1 1413 . 1 1 128 128 PHE HA H 1 5.531 0.000 . . . . . . A 120 PHE HA . 30478 1 1414 . 1 1 128 128 PHE HB2 H 1 2.801 0.000 . . . . . . A 120 PHE HB2 . 30478 1 1415 . 1 1 128 128 PHE HB3 H 1 2.163 0.000 . . . . . . A 120 PHE HB3 . 30478 1 1416 . 1 1 128 128 PHE HD1 H 1 6.717 0.000 . . . . . . A 120 PHE HD1 . 30478 1 1417 . 1 1 128 128 PHE HD2 H 1 6.717 0.000 . . . . . . A 120 PHE HD2 . 30478 1 1418 . 1 1 128 128 PHE HE1 H 1 7.056 0.000 . . . . . . A 120 PHE HE1 . 30478 1 1419 . 1 1 128 128 PHE HE2 H 1 7.056 0.000 . . . . . . A 120 PHE HE2 . 30478 1 1420 . 1 1 128 128 PHE HZ H 1 7.329 0.000 . . . . . . A 120 PHE HZ . 30478 1 1421 . 1 1 128 128 PHE CA C 13 53.604 0.000 . . . . . . A 120 PHE CA . 30478 1 1422 . 1 1 128 128 PHE CB C 13 40.887 0.000 . . . . . . A 120 PHE CB . 30478 1 1423 . 1 1 128 128 PHE CD1 C 13 131.543 0.000 . . . . . . A 120 PHE CD1 . 30478 1 1424 . 1 1 128 128 PHE CD2 C 13 131.54 0.000 . . . . . . A 120 PHE CD2 . 30478 1 1425 . 1 1 128 128 PHE CE1 C 13 130.433 0.000 . . . . . . A 120 PHE CE1 . 30478 1 1426 . 1 1 128 128 PHE CE2 C 13 130.451 0.000 . . . . . . A 120 PHE CE2 . 30478 1 1427 . 1 1 128 128 PHE CZ C 13 129.267 0.000 . . . . . . A 120 PHE CZ . 30478 1 1428 . 1 1 128 128 PHE N N 15 127.956 0.000 . . . . . . A 120 PHE N . 30478 1 1429 . 1 1 129 129 LYS H H 1 8.268 0.000 . . . . . . A 121 LYS H . 30478 1 1430 . 1 1 129 129 LYS HA H 1 5.312 0.000 . . . . . . A 121 LYS HA . 30478 1 1431 . 1 1 129 129 LYS HB2 H 1 1.421 0.000 . . . . . . A 121 LYS HB2 . 30478 1 1432 . 1 1 129 129 LYS HB3 H 1 1.524 0.000 . . . . . . A 121 LYS HB3 . 30478 1 1433 . 1 1 129 129 LYS HG2 H 1 1.155 0.000 . . . . . . A 121 LYS HG2 . 30478 1 1434 . 1 1 129 129 LYS HG3 H 1 1.238 0.000 . . . . . . A 121 LYS HG3 . 30478 1 1435 . 1 1 129 129 LYS HD2 H 1 1.493 0.000 . . . . . . A 121 LYS HD2 . 30478 1 1436 . 1 1 129 129 LYS HD3 H 1 1.493 0.000 . . . . . . A 121 LYS HD3 . 30478 1 1437 . 1 1 129 129 LYS CA C 13 54.115 0.000 . . . . . . A 121 LYS CA . 30478 1 1438 . 1 1 129 129 LYS CB C 13 37.291 0.000 . . . . . . A 121 LYS CB . 30478 1 1439 . 1 1 129 129 LYS CG C 13 25.323 0.000 . . . . . . A 121 LYS CG . 30478 1 1440 . 1 1 129 129 LYS CD C 13 29.523 0.000 . . . . . . A 121 LYS CD . 30478 1 1441 . 1 1 129 129 LYS N N 15 127.049 0.000 . . . . . . A 121 LYS N . 30478 1 1442 . 1 1 130 130 ARG H H 1 8.554 0.000 . . . . . . A 122 ARG H . 30478 1 1443 . 1 1 130 130 ARG HA H 1 4.676 0.000 . . . . . . A 122 ARG HA . 30478 1 1444 . 1 1 130 130 ARG HB2 H 1 1.032 0.000 . . . . . . A 122 ARG HB2 . 30478 1 1445 . 1 1 130 130 ARG HB3 H 1 1.63 0.000 . . . . . . A 122 ARG HB3 . 30478 1 1446 . 1 1 130 130 ARG HG2 H 1 1.102 0.000 . . . . . . A 122 ARG HG2 . 30478 1 1447 . 1 1 130 130 ARG HG3 H 1 1.483 0.000 . . . . . . A 122 ARG HG3 . 30478 1 1448 . 1 1 130 130 ARG HD2 H 1 2.023 0.000 . . . . . . A 122 ARG HD2 . 30478 1 1449 . 1 1 130 130 ARG HD3 H 1 3.213 0.000 . . . . . . A 122 ARG HD3 . 30478 1 1450 . 1 1 130 130 ARG HE H 1 8.742 0.000 . . . . . . A 122 ARG HE . 30478 1 1451 . 1 1 130 130 ARG HH11 H 1 6.818 0.000 . . . . . . A 122 ARG HH11 . 30478 1 1452 . 1 1 130 130 ARG HH21 H 1 6.879 0.000 . . . . . . A 122 ARG HH21 . 30478 1 1453 . 1 1 130 130 ARG CA C 13 54.948 0.000 . . . . . . A 122 ARG CA . 30478 1 1454 . 1 1 130 130 ARG CB C 13 34.883 0.000 . . . . . . A 122 ARG CB . 30478 1 1455 . 1 1 130 130 ARG CG C 13 28.565 0.000 . . . . . . A 122 ARG CG . 30478 1 1456 . 1 1 130 130 ARG CD C 13 43.796 0.000 . . . . . . A 122 ARG CD . 30478 1 1457 . 1 1 130 130 ARG N N 15 121.194 0.000 . . . . . . A 122 ARG N . 30478 1 1458 . 1 1 130 130 ARG NE N 15 82.82 0.000 . . . . . . A 122 ARG NE . 30478 1 1459 . 1 1 130 130 ARG NH1 N 15 66.697 0.000 . . . . . . A 122 ARG NH1 . 30478 1 1460 . 1 1 130 130 ARG NH2 N 15 66.84 0.000 . . . . . . A 122 ARG NH2 . 30478 1 1461 . 1 1 131 131 ILE H H 1 8.684 0.000 . . . . . . A 123 ILE H . 30478 1 1462 . 1 1 131 131 ILE HA H 1 4.702 0.000 . . . . . . A 123 ILE HA . 30478 1 1463 . 1 1 131 131 ILE HB H 1 1.781 0.000 . . . . . . A 123 ILE HB . 30478 1 1464 . 1 1 131 131 ILE HG12 H 1 1.019 0.000 . . . . . . A 123 ILE HG12 . 30478 1 1465 . 1 1 131 131 ILE HG13 H 1 1.309 0.000 . . . . . . A 123 ILE HG13 . 30478 1 1466 . 1 1 131 131 ILE HG21 H 1 0.801 0.000 . . . . . . A 123 ILE HG21 . 30478 1 1467 . 1 1 131 131 ILE HG22 H 1 0.801 0.000 . . . . . . A 123 ILE HG22 . 30478 1 1468 . 1 1 131 131 ILE HG23 H 1 0.801 0.000 . . . . . . A 123 ILE HG23 . 30478 1 1469 . 1 1 131 131 ILE HD11 H 1 0.731 0.000 . . . . . . A 123 ILE HD11 . 30478 1 1470 . 1 1 131 131 ILE HD12 H 1 0.731 0.000 . . . . . . A 123 ILE HD12 . 30478 1 1471 . 1 1 131 131 ILE HD13 H 1 0.731 0.000 . . . . . . A 123 ILE HD13 . 30478 1 1472 . 1 1 131 131 ILE CA C 13 61.221 0.000 . . . . . . A 123 ILE CA . 30478 1 1473 . 1 1 131 131 ILE CB C 13 40.068 0.000 . . . . . . A 123 ILE CB . 30478 1 1474 . 1 1 131 131 ILE CG1 C 13 28.142 0.000 . . . . . . A 123 ILE CG1 . 30478 1 1475 . 1 1 131 131 ILE CG2 C 13 17.992 0.000 . . . . . . A 123 ILE CG2 . 30478 1 1476 . 1 1 131 131 ILE CD1 C 13 13.961 0.000 . . . . . . A 123 ILE CD1 . 30478 1 1477 . 1 1 131 131 ILE N N 15 122.573 0.000 . . . . . . A 123 ILE N . 30478 1 1478 . 1 1 132 132 SER H H 1 9.099 0.000 . . . . . . A 124 SER H . 30478 1 1479 . 1 1 132 132 SER HA H 1 5.295 0.000 . . . . . . A 124 SER HA . 30478 1 1480 . 1 1 132 132 SER HB2 H 1 3.445 0.000 . . . . . . A 124 SER HB2 . 30478 1 1481 . 1 1 132 132 SER HB3 H 1 3.505 0.000 . . . . . . A 124 SER HB3 . 30478 1 1482 . 1 1 132 132 SER CA C 13 57.907 0.000 . . . . . . A 124 SER CA . 30478 1 1483 . 1 1 132 132 SER CB C 13 65.755 0.000 . . . . . . A 124 SER CB . 30478 1 1484 . 1 1 132 132 SER N N 15 120.955 0.000 . . . . . . A 124 SER N . 30478 1 1485 . 1 1 133 133 LYS H H 1 8.474 0.000 . . . . . . A 125 LYS H . 30478 1 1486 . 1 1 133 133 LYS HA H 1 5.5 0.000 . . . . . . A 125 LYS HA . 30478 1 1487 . 1 1 133 133 LYS HB2 H 1 1.777 0.000 . . . . . . A 125 LYS HB2 . 30478 1 1488 . 1 1 133 133 LYS HB3 H 1 1.561 0.000 . . . . . . A 125 LYS HB3 . 30478 1 1489 . 1 1 133 133 LYS HG2 H 1 1.351 0.000 . . . . . . A 125 LYS HG2 . 30478 1 1490 . 1 1 133 133 LYS HG3 H 1 1.559 0.000 . . . . . . A 125 LYS HG3 . 30478 1 1491 . 1 1 133 133 LYS CA C 13 53.909 0.000 . . . . . . A 125 LYS CA . 30478 1 1492 . 1 1 133 133 LYS CB C 13 37.263 0.000 . . . . . . A 125 LYS CB . 30478 1 1493 . 1 1 133 133 LYS CG C 13 24.797 0.000 . . . . . . A 125 LYS CG . 30478 1 1494 . 1 1 133 133 LYS N N 15 119.801 0.000 . . . . . . A 125 LYS N . 30478 1 1495 . 1 1 134 134 ARG H H 1 9.005 0.000 . . . . . . A 126 ARG H . 30478 1 1496 . 1 1 134 134 ARG HA H 1 4.148 0.000 . . . . . . A 126 ARG HA . 30478 1 1497 . 1 1 134 134 ARG HB2 H 1 1.579 0.000 . . . . . . A 126 ARG HB2 . 30478 1 1498 . 1 1 134 134 ARG HB3 H 1 1.634 0.000 . . . . . . A 126 ARG HB3 . 30478 1 1499 . 1 1 134 134 ARG HG2 H 1 1.541 0.000 . . . . . . A 126 ARG HG2 . 30478 1 1500 . 1 1 134 134 ARG HG3 H 1 1.24 0.000 . . . . . . A 126 ARG HG3 . 30478 1 1501 . 1 1 134 134 ARG HD2 H 1 3.221 0.000 . . . . . . A 126 ARG HD2 . 30478 1 1502 . 1 1 134 134 ARG HD3 H 1 3.115 0.000 . . . . . . A 126 ARG HD3 . 30478 1 1503 . 1 1 134 134 ARG HE H 1 7.107 0.000 . . . . . . A 126 ARG HE . 30478 1 1504 . 1 1 134 134 ARG CA C 13 56.956 0.000 . . . . . . A 126 ARG CA . 30478 1 1505 . 1 1 134 134 ARG CB C 13 31.384 0.000 . . . . . . A 126 ARG CB . 30478 1 1506 . 1 1 134 134 ARG CG C 13 27.012 0.000 . . . . . . A 126 ARG CG . 30478 1 1507 . 1 1 134 134 ARG CD C 13 43.663 0.000 . . . . . . A 126 ARG CD . 30478 1 1508 . 1 1 134 134 ARG N N 15 125.741 0.000 . . . . . . A 126 ARG N . 30478 1 1509 . 1 1 134 134 ARG NE N 15 80.214 0.000 . . . . . . A 126 ARG NE . 30478 1 1510 . 1 1 135 135 ILE H H 1 8.318 0.000 . . . . . . A 127 ILE H . 30478 1 1511 . 1 1 135 135 ILE HA H 1 4.104 0.000 . . . . . . A 127 ILE HA . 30478 1 1512 . 1 1 135 135 ILE HB H 1 1.78 0.000 . . . . . . A 127 ILE HB . 30478 1 1513 . 1 1 135 135 ILE HG12 H 1 1.248 0.000 . . . . . . A 127 ILE HG12 . 30478 1 1514 . 1 1 135 135 ILE HG13 H 1 0.83 0.000 . . . . . . A 127 ILE HG13 . 30478 1 1515 . 1 1 135 135 ILE HG21 H 1 0.853 0.000 . . . . . . A 127 ILE HG21 . 30478 1 1516 . 1 1 135 135 ILE HG22 H 1 0.853 0.000 . . . . . . A 127 ILE HG22 . 30478 1 1517 . 1 1 135 135 ILE HG23 H 1 0.853 0.000 . . . . . . A 127 ILE HG23 . 30478 1 1518 . 1 1 135 135 ILE HD11 H 1 0.779 0.000 . . . . . . A 127 ILE HD11 . 30478 1 1519 . 1 1 135 135 ILE HD12 H 1 0.779 0.000 . . . . . . A 127 ILE HD12 . 30478 1 1520 . 1 1 135 135 ILE HD13 H 1 0.779 0.000 . . . . . . A 127 ILE HD13 . 30478 1 1521 . 1 1 135 135 ILE CA C 13 62.594 0.000 . . . . . . A 127 ILE CA . 30478 1 1522 . 1 1 135 135 ILE CB C 13 39.968 0.000 . . . . . . A 127 ILE CB . 30478 1 1523 . 1 1 135 135 ILE CG1 C 13 27.251 0.000 . . . . . . A 127 ILE CG1 . 30478 1 1524 . 1 1 135 135 ILE CG2 C 13 18.524 0.000 . . . . . . A 127 ILE CG2 . 30478 1 1525 . 1 1 135 135 ILE CD1 C 13 14.472 0.000 . . . . . . A 127 ILE CD1 . 30478 1 1526 . 1 1 135 135 ILE N N 15 127.137 0.000 . . . . . . A 127 ILE N . 30478 1 stop_ save_