data_4661 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4661 _Entry.Title ; Solution structure of APAF-1 CARD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-02-02 _Entry.Accession_date 2000-02-02 _Entry.Last_release_date 2000-03-07 _Entry.Original_release_date 2000-03-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pei Zhou . . . 4661 2 James Chou . . . 4661 3 Roberto Sanchez-Olea . . . 4661 4 Junying Yuan . . . 4661 5 Gerhard Wagner . . . 4661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 90 4661 '1H chemical shifts' 627 4661 '13C chemical shifts' 141 4661 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-03-07 2000-02-02 original author . 4661 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4661 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99432221 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of Apaf-1 CARD and its interaction with caspase-9 CARD: A structural basis for specific adaptor/caspase interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 96 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11265 _Citation.Page_last 11270 _Citation.Year 1999 _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.Entry_ID _Citation_author.Citation_ID 1 Pei Zhou . . . 4661 1 2 James Chou . . . 4661 1 3 Roberto Sanchez-Olea . . . 4661 1 4 Junying Yuan . . . 4661 1 5 Gerhard Wagner . . . 4661 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Apoptosis 4661 1 'Programmed cell death' 4661 1 APAF 4661 1 CARD 4661 1 DED 4661 1 DD 4661 1 'Caspase recruitment domain' 4661 1 'homophilic interaction' 4661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Apaf-1_CARD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Apaf-1_CARD _Assembly.Entry_ID 4661 _Assembly.ID 1 _Assembly.Name 'Apoptotic protease activating factor 1' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4661 1 stop_ 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 'Apaf-1 CARD' 1 $Apaf-1_CARD . . . native . . . . . 4661 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Apoptotic protease activating factor 1' system 4661 1 'Apaf-1 CARD' abbreviation 4661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Apaf-1_CARD _Entity.Sf_category entity _Entity.Sf_framecode Apaf-1_CARD _Entity.Entry_ID 4661 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'APOPTOTIC PROTEASE ACTIVATING FACTOR 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDAKARNCLLQHREALEKDI KTSYIMDHMISDGFLTISEE EKVRNEPTQQQRAAMLIKMI LKKDNDSYVSFYNALLHEGY KDLAALLHDGIPVVSSS ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1C15 . "Solution Structure Of Apaf-1 Card" . . . . . 100.00 97 100.00 100.00 4.26e-64 . . . . 4661 1 2 no PDB 1CWW . "Solution Structure Of The Caspase Recruitment Domain (Card) From Apaf-1" . . . . . 100.00 102 100.00 100.00 7.03e-64 . . . . 4661 1 3 no PDB 1CY5 . "Crystal Structure Of The Apaf-1 Card" . . . . . 100.00 97 100.00 100.00 4.26e-64 . . . . 4661 1 4 no PDB 1Z6T . "Structure Of The Apoptotic Protease-activating Factor 1 Bound To Adp" . . . . . 100.00 591 100.00 100.00 1.10e-58 . . . . 4661 1 5 no PDB 2P1H . "Rapid Folding And Unfolding Of Apaf-1 Card" . . . . . 94.85 94 100.00 100.00 1.30e-60 . . . . 4661 1 6 no PDB 2YGS . "Card Domain From Apaf-1" . . . . . 94.85 92 100.00 100.00 1.25e-60 . . . . 4661 1 7 no PDB 3J2T . "An Improved Model Of The Human Apoptosome" . . . . . 100.00 1263 100.00 100.00 4.03e-57 . . . . 4661 1 8 no PDB 3YGS . "Apaf-1 Card In Complex With Prodomain Of Procaspase-9" . . . . . 97.94 95 100.00 100.00 9.17e-63 . . . . 4661 1 9 no PDB 4RHW . "Crystal Structure Of Apaf-1 Card And Caspase-9 Card Complex" . . . . . 100.00 97 100.00 100.00 4.26e-64 . . . . 4661 1 10 no DBJ BAA24843 . "KIAA0413 [Homo sapiens]" . . . . . 100.00 1237 100.00 100.00 3.26e-57 . . . . 4661 1 11 no DBJ BAC77343 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 338 100.00 100.00 1.79e-61 . . . . 4661 1 12 no DBJ BAJ20211 . "apoptotic peptidase activating factor 1 [synthetic construct]" . . . . . 100.00 1237 100.00 100.00 3.26e-57 . . . . 4661 1 13 no EMBL CAB55579 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1205 100.00 100.00 2.41e-57 . . . . 4661 1 14 no EMBL CAB55580 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1205 100.00 100.00 2.16e-57 . . . . 4661 1 15 no EMBL CAB55581 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1205 100.00 100.00 2.22e-57 . . . . 4661 1 16 no EMBL CAB55582 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1205 100.00 100.00 2.36e-57 . . . . 4661 1 17 no EMBL CAB55583 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1205 100.00 100.00 2.55e-57 . . . . 4661 1 18 no GB AAC51678 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1194 100.00 100.00 2.61e-57 . . . . 4661 1 19 no GB AAD34016 . "apoptotic protease activating factor 1 [Homo sapiens]" . . . . . 100.00 1248 100.00 100.00 3.30e-57 . . . . 4661 1 20 no GB AAD38344 . "apoptotic protease activating factor-1 long isoform APAF-1L [Homo sapiens]" . . . . . 100.00 1237 100.00 100.00 3.26e-57 . . . . 4661 1 21 no GB AAI36532 . "Apoptotic peptidase activating factor 1 [Homo sapiens]" . . . . . 100.00 1248 100.00 100.00 3.30e-57 . . . . 4661 1 22 no GB AAI36533 . "Apoptotic peptidase activating factor 1 [Homo sapiens]" . . . . . 100.00 1248 100.00 100.00 3.30e-57 . . . . 4661 1 23 no REF NP_001151 . "apoptotic protease-activating factor 1 isoform b [Homo sapiens]" . . . . . 100.00 1194 100.00 100.00 2.61e-57 . . . . 4661 1 24 no REF NP_037361 . "apoptotic protease-activating factor 1 isoform a [Homo sapiens]" . . . . . 100.00 1237 100.00 100.00 3.26e-57 . . . . 4661 1 25 no REF NP_863651 . "apoptotic protease-activating factor 1 isoform c [Homo sapiens]" . . . . . 100.00 1248 100.00 100.00 3.30e-57 . . . . 4661 1 26 no REF NP_863658 . "apoptotic protease-activating factor 1 isoform d [Homo sapiens]" . . . . . 100.00 1205 100.00 100.00 2.41e-57 . . . . 4661 1 27 no REF NP_863659 . "apoptotic protease-activating factor 1 isoform e [Homo sapiens]" . . . . . 100.00 338 100.00 100.00 1.79e-61 . . . . 4661 1 28 no SP O14727 . "RecName: Full=Apoptotic protease-activating factor 1; Short=APAF-1" . . . . . 100.00 1248 100.00 100.00 3.30e-57 . . . . 4661 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'APOPTOTIC PROTEASE ACTIVATING FACTOR 1' common 4661 1 'Apaf-1 CARD' abbreviation 4661 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4661 1 2 . ASP . 4661 1 3 . ALA . 4661 1 4 . LYS . 4661 1 5 . ALA . 4661 1 6 . ARG . 4661 1 7 . ASN . 4661 1 8 . CYS . 4661 1 9 . LEU . 4661 1 10 . LEU . 4661 1 11 . GLN . 4661 1 12 . HIS . 4661 1 13 . ARG . 4661 1 14 . GLU . 4661 1 15 . ALA . 4661 1 16 . LEU . 4661 1 17 . GLU . 4661 1 18 . LYS . 4661 1 19 . ASP . 4661 1 20 . ILE . 4661 1 21 . LYS . 4661 1 22 . THR . 4661 1 23 . SER . 4661 1 24 . TYR . 4661 1 25 . ILE . 4661 1 26 . MET . 4661 1 27 . ASP . 4661 1 28 . HIS . 4661 1 29 . MET . 4661 1 30 . ILE . 4661 1 31 . SER . 4661 1 32 . ASP . 4661 1 33 . GLY . 4661 1 34 . PHE . 4661 1 35 . LEU . 4661 1 36 . THR . 4661 1 37 . ILE . 4661 1 38 . SER . 4661 1 39 . GLU . 4661 1 40 . GLU . 4661 1 41 . GLU . 4661 1 42 . LYS . 4661 1 43 . VAL . 4661 1 44 . ARG . 4661 1 45 . ASN . 4661 1 46 . GLU . 4661 1 47 . PRO . 4661 1 48 . THR . 4661 1 49 . GLN . 4661 1 50 . GLN . 4661 1 51 . GLN . 4661 1 52 . ARG . 4661 1 53 . ALA . 4661 1 54 . ALA . 4661 1 55 . MET . 4661 1 56 . LEU . 4661 1 57 . ILE . 4661 1 58 . LYS . 4661 1 59 . MET . 4661 1 60 . ILE . 4661 1 61 . LEU . 4661 1 62 . LYS . 4661 1 63 . LYS . 4661 1 64 . ASP . 4661 1 65 . ASN . 4661 1 66 . ASP . 4661 1 67 . SER . 4661 1 68 . TYR . 4661 1 69 . VAL . 4661 1 70 . SER . 4661 1 71 . PHE . 4661 1 72 . TYR . 4661 1 73 . ASN . 4661 1 74 . ALA . 4661 1 75 . LEU . 4661 1 76 . LEU . 4661 1 77 . HIS . 4661 1 78 . GLU . 4661 1 79 . GLY . 4661 1 80 . TYR . 4661 1 81 . LYS . 4661 1 82 . ASP . 4661 1 83 . LEU . 4661 1 84 . ALA . 4661 1 85 . ALA . 4661 1 86 . LEU . 4661 1 87 . LEU . 4661 1 88 . HIS . 4661 1 89 . ASP . 4661 1 90 . GLY . 4661 1 91 . ILE . 4661 1 92 . PRO . 4661 1 93 . VAL . 4661 1 94 . VAL . 4661 1 95 . SER . 4661 1 96 . SER . 4661 1 97 . SER . 4661 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4661 1 . ASP 2 2 4661 1 . ALA 3 3 4661 1 . LYS 4 4 4661 1 . ALA 5 5 4661 1 . ARG 6 6 4661 1 . ASN 7 7 4661 1 . CYS 8 8 4661 1 . LEU 9 9 4661 1 . LEU 10 10 4661 1 . GLN 11 11 4661 1 . HIS 12 12 4661 1 . ARG 13 13 4661 1 . GLU 14 14 4661 1 . ALA 15 15 4661 1 . LEU 16 16 4661 1 . GLU 17 17 4661 1 . LYS 18 18 4661 1 . ASP 19 19 4661 1 . ILE 20 20 4661 1 . LYS 21 21 4661 1 . THR 22 22 4661 1 . SER 23 23 4661 1 . TYR 24 24 4661 1 . ILE 25 25 4661 1 . MET 26 26 4661 1 . ASP 27 27 4661 1 . HIS 28 28 4661 1 . MET 29 29 4661 1 . ILE 30 30 4661 1 . SER 31 31 4661 1 . ASP 32 32 4661 1 . GLY 33 33 4661 1 . PHE 34 34 4661 1 . LEU 35 35 4661 1 . THR 36 36 4661 1 . ILE 37 37 4661 1 . SER 38 38 4661 1 . GLU 39 39 4661 1 . GLU 40 40 4661 1 . GLU 41 41 4661 1 . LYS 42 42 4661 1 . VAL 43 43 4661 1 . ARG 44 44 4661 1 . ASN 45 45 4661 1 . GLU 46 46 4661 1 . PRO 47 47 4661 1 . THR 48 48 4661 1 . GLN 49 49 4661 1 . GLN 50 50 4661 1 . GLN 51 51 4661 1 . ARG 52 52 4661 1 . ALA 53 53 4661 1 . ALA 54 54 4661 1 . MET 55 55 4661 1 . LEU 56 56 4661 1 . ILE 57 57 4661 1 . LYS 58 58 4661 1 . MET 59 59 4661 1 . ILE 60 60 4661 1 . LEU 61 61 4661 1 . LYS 62 62 4661 1 . LYS 63 63 4661 1 . ASP 64 64 4661 1 . ASN 65 65 4661 1 . ASP 66 66 4661 1 . SER 67 67 4661 1 . TYR 68 68 4661 1 . VAL 69 69 4661 1 . SER 70 70 4661 1 . PHE 71 71 4661 1 . TYR 72 72 4661 1 . ASN 73 73 4661 1 . ALA 74 74 4661 1 . LEU 75 75 4661 1 . LEU 76 76 4661 1 . HIS 77 77 4661 1 . GLU 78 78 4661 1 . GLY 79 79 4661 1 . TYR 80 80 4661 1 . LYS 81 81 4661 1 . ASP 82 82 4661 1 . LEU 83 83 4661 1 . ALA 84 84 4661 1 . ALA 85 85 4661 1 . LEU 86 86 4661 1 . LEU 87 87 4661 1 . HIS 88 88 4661 1 . ASP 89 89 4661 1 . GLY 90 90 4661 1 . ILE 91 91 4661 1 . PRO 92 92 4661 1 . VAL 93 93 4661 1 . VAL 94 94 4661 1 . SER 95 95 4661 1 . SER 96 96 4661 1 . SER 97 97 4661 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4661 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Apaf-1_CARD . 9606 organism . 'Homo sapiens' Human . . Eukaryota metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4661 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 4661 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Apaf-1_CARD . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 4661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4661 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'APOPTOTIC PROTEASE ACTIVATING FACTOR 1' [U-15N] . . 1 $Apaf-1_CARD . . . 0.5 1 mM . . . . 4661 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4661 1 3 NaCl . . . . . . . 50 . . mM . . . . 4661 1 4 DTT . . . . . . . 5 . . mM . . . . 4661 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4661 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'APOPTOTIC PROTEASE ACTIVATING FACTOR 1' [U-13C] . . 1 $Apaf-1_CARD . . 1 . . mM . . . . 4661 2 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4661 2 3 NaCl . . . . . . . 50 . . mM . . . . 4661 2 4 DTT . . . . . . . 5 . . mM . . . . 4661 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4661 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'APOPTOTIC PROTEASE ACTIVATING FACTOR 1' . . . 1 $Apaf-1_CARD . . 1 . . mM . . . . 4661 3 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4661 3 3 NaCl . . . . . . . 50 . . mM . . . . 4661 3 4 DTT . . . . . . . 5 . . mM . . . . 4661 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4661 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'APOPTOTIC PROTEASE ACTIVATING FACTOR 1' '[U-13C; U-15N; U-80% 2H]' . . 1 $Apaf-1_CARD . . 1 . . mM . . . . 4661 4 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4661 4 3 NaCl . . . . . . . 50 . . mM . . . . 4661 4 4 DTT . . . . . . . 5 . . mM . . . . 4661 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4661 _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 pH 6.5 0.2 pH 4661 1 temperature 300 1 K 4661 1 pressure 1 . atm 4661 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4661 _Software.ID 1 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'GUNTERT ET AL' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure solution' 4661 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4661 _Software.ID 2 _Software.Name X-PLOR _Software.Version 3.851 _Software.Details BRUNGER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4661 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4661 _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 spectrometer_1 Bruker DMX . 500 . . . 4661 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 4661 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4661 1 2 3D_13C-separated_NOESY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4661 1 3 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4661 1 4 HMQC-J . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4661 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4661 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4661 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4661 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4661 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . 1 $entry_citation . . 1 $entry_citation 4661 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 4661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4661 1 . . 2 $sample_2 . 4661 1 . . 3 $sample_3 . 4661 1 . . 4 $sample_4 . 4661 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 123.5 . . 1 . . . . . . . . 4661 1 2 . 1 1 1 1 MET H H 1 8.11 . . 1 . . . . . . . . 4661 1 3 . 1 1 1 1 MET CA C 13 55.3 . . 1 . . . . . . . . 4661 1 4 . 1 1 1 1 MET HA H 1 4.09 . . 1 . . . . . . . . 4661 1 5 . 1 1 1 1 MET HB2 H 1 1.71 . . 2 . . . . . . . . 4661 1 6 . 1 1 1 1 MET HB3 H 1 2.05 . . 2 . . . . . . . . 4661 1 7 . 1 1 1 1 MET HG2 H 1 2.24 . . 2 . . . . . . . . 4661 1 8 . 1 1 1 1 MET HG3 H 1 2.52 . . 2 . . . . . . . . 4661 1 9 . 1 1 2 2 ASP N N 15 127.0 . . 1 . . . . . . . . 4661 1 10 . 1 1 2 2 ASP H H 1 9.39 . . 1 . . . . . . . . 4661 1 11 . 1 1 2 2 ASP CA C 13 54.7 . . 1 . . . . . . . . 4661 1 12 . 1 1 2 2 ASP HA H 1 4.28 . . 1 . . . . . . . . 4661 1 13 . 1 1 2 2 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4661 1 14 . 1 1 2 2 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 4661 1 15 . 1 1 3 3 ALA N N 15 125.9 . . 1 . . . . . . . . 4661 1 16 . 1 1 3 3 ALA H H 1 8.69 . . 1 . . . . . . . . 4661 1 17 . 1 1 3 3 ALA CA C 13 55.2 . . 1 . . . . . . . . 4661 1 18 . 1 1 3 3 ALA HA H 1 3.83 . . 1 . . . . . . . . 4661 1 19 . 1 1 3 3 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4661 1 20 . 1 1 3 3 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4661 1 21 . 1 1 3 3 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4661 1 22 . 1 1 3 3 ALA CB C 13 18.0 . . 1 . . . . . . . . 4661 1 23 . 1 1 4 4 LYS N N 15 116.3 . . 1 . . . . . . . . 4661 1 24 . 1 1 4 4 LYS H H 1 8.54 . . 1 . . . . . . . . 4661 1 25 . 1 1 4 4 LYS CA C 13 59.2 . . 1 . . . . . . . . 4661 1 26 . 1 1 4 4 LYS HA H 1 3.87 . . 1 . . . . . . . . 4661 1 27 . 1 1 4 4 LYS HB2 H 1 1.66 . . 2 . . . . . . . . 4661 1 28 . 1 1 4 4 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 4661 1 29 . 1 1 4 4 LYS HG2 H 1 1.21 . . 2 . . . . . . . . 4661 1 30 . 1 1 4 4 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4661 1 31 . 1 1 4 4 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 4661 1 32 . 1 1 4 4 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 4661 1 33 . 1 1 5 5 ALA N N 15 122.8 . . 1 . . . . . . . . 4661 1 34 . 1 1 5 5 ALA H H 1 6.74 . . 1 . . . . . . . . 4661 1 35 . 1 1 5 5 ALA CA C 13 54.5 . . 1 . . . . . . . . 4661 1 36 . 1 1 5 5 ALA HA H 1 3.67 . . 1 . . . . . . . . 4661 1 37 . 1 1 5 5 ALA HB1 H 1 0.62 . . 1 . . . . . . . . 4661 1 38 . 1 1 5 5 ALA HB2 H 1 0.62 . . 1 . . . . . . . . 4661 1 39 . 1 1 5 5 ALA HB3 H 1 0.62 . . 1 . . . . . . . . 4661 1 40 . 1 1 5 5 ALA CB C 13 16.4 . . 1 . . . . . . . . 4661 1 41 . 1 1 6 6 ARG N N 15 118.3 . . 1 . . . . . . . . 4661 1 42 . 1 1 6 6 ARG H H 1 7.90 . . 1 . . . . . . . . 4661 1 43 . 1 1 6 6 ARG CA C 13 59.7 . . 1 . . . . . . . . 4661 1 44 . 1 1 6 6 ARG HA H 1 3.72 . . 1 . . . . . . . . 4661 1 45 . 1 1 6 6 ARG HB2 H 1 1.59 . . 1 . . . . . . . . 4661 1 46 . 1 1 6 6 ARG HB3 H 1 1.59 . . 1 . . . . . . . . 4661 1 47 . 1 1 6 6 ARG HG2 H 1 1.42 . . 1 . . . . . . . . 4661 1 48 . 1 1 6 6 ARG HG3 H 1 1.42 . . 1 . . . . . . . . 4661 1 49 . 1 1 6 6 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4661 1 50 . 1 1 6 6 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4661 1 51 . 1 1 7 7 ASN N N 15 114.1 . . 1 . . . . . . . . 4661 1 52 . 1 1 7 7 ASN H H 1 8.61 . . 1 . . . . . . . . 4661 1 53 . 1 1 7 7 ASN CA C 13 55.5 . . 1 . . . . . . . . 4661 1 54 . 1 1 7 7 ASN HA H 1 4.33 . . 1 . . . . . . . . 4661 1 55 . 1 1 7 7 ASN HB2 H 1 2.67 . . 2 . . . . . . . . 4661 1 56 . 1 1 7 7 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 4661 1 57 . 1 1 8 8 CYS N N 15 121.3 . . 1 . . . . . . . . 4661 1 58 . 1 1 8 8 CYS H H 1 7.71 . . 1 . . . . . . . . 4661 1 59 . 1 1 8 8 CYS CA C 13 63.7 . . 1 . . . . . . . . 4661 1 60 . 1 1 8 8 CYS HA H 1 4.14 . . 1 . . . . . . . . 4661 1 61 . 1 1 8 8 CYS HB2 H 1 3.18 . . 2 . . . . . . . . 4661 1 62 . 1 1 8 8 CYS HB3 H 1 3.29 . . 2 . . . . . . . . 4661 1 63 . 1 1 9 9 LEU N N 15 118.0 . . 1 . . . . . . . . 4661 1 64 . 1 1 9 9 LEU H H 1 7.86 . . 1 . . . . . . . . 4661 1 65 . 1 1 9 9 LEU CA C 13 57.9 . . 1 . . . . . . . . 4661 1 66 . 1 1 9 9 LEU HA H 1 3.94 . . 1 . . . . . . . . 4661 1 67 . 1 1 9 9 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 4661 1 68 . 1 1 9 9 LEU HB3 H 1 1.97 . . 2 . . . . . . . . 4661 1 69 . 1 1 9 9 LEU HG H 1 1.48 . . 1 . . . . . . . . 4661 1 70 . 1 1 9 9 LEU HD11 H 1 0.73 . . 2 . . . . . . . . 4661 1 71 . 1 1 9 9 LEU HD12 H 1 0.73 . . 2 . . . . . . . . 4661 1 72 . 1 1 9 9 LEU HD13 H 1 0.73 . . 2 . . . . . . . . 4661 1 73 . 1 1 9 9 LEU HD21 H 1 0.74 . . 2 . . . . . . . . 4661 1 74 . 1 1 9 9 LEU HD22 H 1 0.74 . . 2 . . . . . . . . 4661 1 75 . 1 1 9 9 LEU HD23 H 1 0.74 . . 2 . . . . . . . . 4661 1 76 . 1 1 9 9 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4661 1 77 . 1 1 9 9 LEU CD2 C 13 25.7 . . 1 . . . . . . . . 4661 1 78 . 1 1 10 10 LEU N N 15 114.6 . . 1 . . . . . . . . 4661 1 79 . 1 1 10 10 LEU H H 1 8.16 . . 1 . . . . . . . . 4661 1 80 . 1 1 10 10 LEU CA C 13 57.5 . . 1 . . . . . . . . 4661 1 81 . 1 1 10 10 LEU HA H 1 3.87 . . 1 . . . . . . . . 4661 1 82 . 1 1 10 10 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 4661 1 83 . 1 1 10 10 LEU HB3 H 1 1.82 . . 2 . . . . . . . . 4661 1 84 . 1 1 10 10 LEU HG H 1 1.35 . . 1 . . . . . . . . 4661 1 85 . 1 1 10 10 LEU CD1 C 13 23.0 . . 1 . . . . . . . . 4661 1 86 . 1 1 10 10 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4661 1 87 . 1 1 10 10 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4661 1 88 . 1 1 10 10 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4661 1 89 . 1 1 10 10 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 4661 1 90 . 1 1 10 10 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 4661 1 91 . 1 1 10 10 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 4661 1 92 . 1 1 11 11 GLN N N 15 119.1 . . 1 . . . . . . . . 4661 1 93 . 1 1 11 11 GLN H H 1 8.30 . . 1 . . . . . . . . 4661 1 94 . 1 1 11 11 GLN CA C 13 58.0 . . 1 . . . . . . . . 4661 1 95 . 1 1 11 11 GLN HA H 1 3.81 . . 1 . . . . . . . . 4661 1 96 . 1 1 11 11 GLN HB2 H 1 1.57 . . 2 . . . . . . . . 4661 1 97 . 1 1 11 11 GLN HB3 H 1 1.73 . . 2 . . . . . . . . 4661 1 98 . 1 1 11 11 GLN HG2 H 1 1.94 . . 1 . . . . . . . . 4661 1 99 . 1 1 11 11 GLN HG3 H 1 1.94 . . 1 . . . . . . . . 4661 1 100 . 1 1 12 12 HIS N N 15 114.1 . . 1 . . . . . . . . 4661 1 101 . 1 1 12 12 HIS H H 1 7.29 . . 1 . . . . . . . . 4661 1 102 . 1 1 12 12 HIS CA C 13 55.2 . . 1 . . . . . . . . 4661 1 103 . 1 1 12 12 HIS HA H 1 5.08 . . 1 . . . . . . . . 4661 1 104 . 1 1 12 12 HIS HB2 H 1 2.65 . . 2 . . . . . . . . 4661 1 105 . 1 1 12 12 HIS HB3 H 1 3.27 . . 2 . . . . . . . . 4661 1 106 . 1 1 12 12 HIS HD2 H 1 7.27 . . 1 . . . . . . . . 4661 1 107 . 1 1 12 12 HIS HE1 H 1 7.80 . . 1 . . . . . . . . 4661 1 108 . 1 1 13 13 ARG N N 15 120.9 . . 1 . . . . . . . . 4661 1 109 . 1 1 13 13 ARG H H 1 7.37 . . 1 . . . . . . . . 4661 1 110 . 1 1 13 13 ARG CA C 13 60.7 . . 1 . . . . . . . . 4661 1 111 . 1 1 13 13 ARG HA H 1 3.86 . . 1 . . . . . . . . 4661 1 112 . 1 1 13 13 ARG HB2 H 1 1.90 . . 2 . . . . . . . . 4661 1 113 . 1 1 13 13 ARG HB3 H 1 2.11 . . 2 . . . . . . . . 4661 1 114 . 1 1 13 13 ARG HG2 H 1 1.53 . . 2 . . . . . . . . 4661 1 115 . 1 1 13 13 ARG HG3 H 1 1.69 . . 2 . . . . . . . . 4661 1 116 . 1 1 14 14 GLU N N 15 118.0 . . 1 . . . . . . . . 4661 1 117 . 1 1 14 14 GLU H H 1 8.68 . . 1 . . . . . . . . 4661 1 118 . 1 1 14 14 GLU CA C 13 59.5 . . 1 . . . . . . . . 4661 1 119 . 1 1 14 14 GLU HA H 1 3.86 . . 1 . . . . . . . . 4661 1 120 . 1 1 14 14 GLU HB2 H 1 1.93 . . 1 . . . . . . . . 4661 1 121 . 1 1 14 14 GLU HB3 H 1 1.93 . . 1 . . . . . . . . 4661 1 122 . 1 1 14 14 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 4661 1 123 . 1 1 14 14 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 4661 1 124 . 1 1 15 15 ALA N N 15 121.7 . . 1 . . . . . . . . 4661 1 125 . 1 1 15 15 ALA H H 1 7.73 . . 1 . . . . . . . . 4661 1 126 . 1 1 15 15 ALA CA C 13 54.5 . . 1 . . . . . . . . 4661 1 127 . 1 1 15 15 ALA HA H 1 2.68 . . 1 . . . . . . . . 4661 1 128 . 1 1 15 15 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4661 1 129 . 1 1 15 15 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4661 1 130 . 1 1 15 15 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4661 1 131 . 1 1 15 15 ALA CB C 13 17.3 . . 1 . . . . . . . . 4661 1 132 . 1 1 16 16 LEU N N 15 116.3 . . 1 . . . . . . . . 4661 1 133 . 1 1 16 16 LEU H H 1 7.91 . . 1 . . . . . . . . 4661 1 134 . 1 1 16 16 LEU CA C 13 57.7 . . 1 . . . . . . . . 4661 1 135 . 1 1 16 16 LEU HA H 1 3.88 . . 1 . . . . . . . . 4661 1 136 . 1 1 16 16 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4661 1 137 . 1 1 16 16 LEU HB3 H 1 2.05 . . 2 . . . . . . . . 4661 1 138 . 1 1 16 16 LEU HG H 1 1.20 . . 1 . . . . . . . . 4661 1 139 . 1 1 16 16 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4661 1 140 . 1 1 16 16 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4661 1 141 . 1 1 16 16 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4661 1 142 . 1 1 16 16 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4661 1 143 . 1 1 16 16 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4661 1 144 . 1 1 16 16 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4661 1 145 . 1 1 16 16 LEU CD1 C 13 26.5 . . 1 . . . . . . . . 4661 1 146 . 1 1 16 16 LEU CD2 C 13 22.5 . . 1 . . . . . . . . 4661 1 147 . 1 1 17 17 GLU N N 15 115.4 . . 1 . . . . . . . . 4661 1 148 . 1 1 17 17 GLU H H 1 8.50 . . 1 . . . . . . . . 4661 1 149 . 1 1 17 17 GLU CA C 13 58.3 . . 1 . . . . . . . . 4661 1 150 . 1 1 17 17 GLU HA H 1 3.64 . . 1 . . . . . . . . 4661 1 151 . 1 1 17 17 GLU HB2 H 1 1.86 . . 2 . . . . . . . . 4661 1 152 . 1 1 17 17 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 4661 1 153 . 1 1 17 17 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 4661 1 154 . 1 1 17 17 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 4661 1 155 . 1 1 18 18 LYS N N 15 114.1 . . 1 . . . . . . . . 4661 1 156 . 1 1 18 18 LYS H H 1 7.28 . . 1 . . . . . . . . 4661 1 157 . 1 1 18 18 LYS CA C 13 58.4 . . 1 . . . . . . . . 4661 1 158 . 1 1 18 18 LYS HA H 1 3.95 . . 1 . . . . . . . . 4661 1 159 . 1 1 18 18 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4661 1 160 . 1 1 18 18 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 4661 1 161 . 1 1 18 18 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 4661 1 162 . 1 1 18 18 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 4661 1 163 . 1 1 18 18 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 4661 1 164 . 1 1 18 18 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 4661 1 165 . 1 1 19 19 ASP N N 15 113.7 . . 1 . . . . . . . . 4661 1 166 . 1 1 19 19 ASP H H 1 6.95 . . 1 . . . . . . . . 4661 1 167 . 1 1 19 19 ASP CA C 13 55.0 . . 1 . . . . . . . . 4661 1 168 . 1 1 19 19 ASP HA H 1 4.96 . . 1 . . . . . . . . 4661 1 169 . 1 1 19 19 ASP HB2 H 1 2.38 . . 2 . . . . . . . . 4661 1 170 . 1 1 19 19 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4661 1 171 . 1 1 20 20 ILE N N 15 112.6 . . 1 . . . . . . . . 4661 1 172 . 1 1 20 20 ILE H H 1 7.52 . . 1 . . . . . . . . 4661 1 173 . 1 1 20 20 ILE CA C 13 63.2 . . 1 . . . . . . . . 4661 1 174 . 1 1 20 20 ILE HA H 1 3.65 . . 1 . . . . . . . . 4661 1 175 . 1 1 20 20 ILE HB H 1 1.29 . . 1 . . . . . . . . 4661 1 176 . 1 1 20 20 ILE HG21 H 1 0.31 . . 1 . . . . . . . . 4661 1 177 . 1 1 20 20 ILE HG22 H 1 0.31 . . 1 . . . . . . . . 4661 1 178 . 1 1 20 20 ILE HG23 H 1 0.31 . . 1 . . . . . . . . 4661 1 179 . 1 1 20 20 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 4661 1 180 . 1 1 20 20 ILE HG12 H 1 0.95 . . 1 . . . . . . . . 4661 1 181 . 1 1 20 20 ILE HG13 H 1 0.95 . . 1 . . . . . . . . 4661 1 182 . 1 1 20 20 ILE HD11 H 1 0.63 . . 1 . . . . . . . . 4661 1 183 . 1 1 20 20 ILE HD12 H 1 0.63 . . 1 . . . . . . . . 4661 1 184 . 1 1 20 20 ILE HD13 H 1 0.63 . . 1 . . . . . . . . 4661 1 185 . 1 1 20 20 ILE CD1 C 13 14.0 . . 1 . . . . . . . . 4661 1 186 . 1 1 21 21 LYS N N 15 122.8 . . 1 . . . . . . . . 4661 1 187 . 1 1 21 21 LYS H H 1 7.37 . . 1 . . . . . . . . 4661 1 188 . 1 1 21 21 LYS CA C 13 55.0 . . 1 . . . . . . . . 4661 1 189 . 1 1 21 21 LYS HA H 1 4.50 . . 1 . . . . . . . . 4661 1 190 . 1 1 21 21 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 4661 1 191 . 1 1 21 21 LYS HB3 H 1 1.95 . . 2 . . . . . . . . 4661 1 192 . 1 1 21 21 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 4661 1 193 . 1 1 21 21 LYS HG3 H 1 1.53 . . 2 . . . . . . . . 4661 1 194 . 1 1 21 21 LYS HD2 H 1 1.56 . . 2 . . . . . . . . 4661 1 195 . 1 1 21 21 LYS HD3 H 1 1.65 . . 2 . . . . . . . . 4661 1 196 . 1 1 22 22 THR CA C 13 66.2 . . 1 . . . . . . . . 4661 1 197 . 1 1 22 22 THR HA H 1 3.64 . . 1 . . . . . . . . 4661 1 198 . 1 1 22 22 THR CB C 13 69.2 . . 1 . . . . . . . . 4661 1 199 . 1 1 22 22 THR HB H 1 4.04 . . 1 . . . . . . . . 4661 1 200 . 1 1 22 22 THR HG21 H 1 1.10 . . 1 . . . . . . . . 4661 1 201 . 1 1 22 22 THR HG22 H 1 1.10 . . 1 . . . . . . . . 4661 1 202 . 1 1 22 22 THR HG23 H 1 1.10 . . 1 . . . . . . . . 4661 1 203 . 1 1 22 22 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4661 1 204 . 1 1 23 23 SER HA H 1 4.42 . . 1 . . . . . . . . 4661 1 205 . 1 1 24 24 TYR N N 15 118.7 . . 1 . . . . . . . . 4661 1 206 . 1 1 24 24 TYR H H 1 7.46 . . 1 . . . . . . . . 4661 1 207 . 1 1 24 24 TYR CA C 13 59.0 . . 1 . . . . . . . . 4661 1 208 . 1 1 24 24 TYR HA H 1 4.39 . . 1 . . . . . . . . 4661 1 209 . 1 1 24 24 TYR HB2 H 1 2.93 . . 2 . . . . . . . . 4661 1 210 . 1 1 24 24 TYR HB3 H 1 3.14 . . 2 . . . . . . . . 4661 1 211 . 1 1 24 24 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 4661 1 212 . 1 1 24 24 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 4661 1 213 . 1 1 24 24 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4661 1 214 . 1 1 24 24 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4661 1 215 . 1 1 25 25 ILE N N 15 116.5 . . 1 . . . . . . . . 4661 1 216 . 1 1 25 25 ILE H H 1 7.27 . . 1 . . . . . . . . 4661 1 217 . 1 1 25 25 ILE CA C 13 62.7 . . 1 . . . . . . . . 4661 1 218 . 1 1 25 25 ILE HA H 1 3.80 . . 1 . . . . . . . . 4661 1 219 . 1 1 25 25 ILE HB H 1 1.81 . . 1 . . . . . . . . 4661 1 220 . 1 1 25 25 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4661 1 221 . 1 1 25 25 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4661 1 222 . 1 1 25 25 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4661 1 223 . 1 1 25 25 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4661 1 224 . 1 1 25 25 ILE HG12 H 1 1.39 . . 1 . . . . . . . . 4661 1 225 . 1 1 25 25 ILE HG13 H 1 1.39 . . 1 . . . . . . . . 4661 1 226 . 1 1 25 25 ILE HD11 H 1 0.70 . . 1 . . . . . . . . 4661 1 227 . 1 1 25 25 ILE HD12 H 1 0.70 . . 1 . . . . . . . . 4661 1 228 . 1 1 25 25 ILE HD13 H 1 0.70 . . 1 . . . . . . . . 4661 1 229 . 1 1 25 25 ILE CD1 C 13 12.1 . . 1 . . . . . . . . 4661 1 230 . 1 1 26 26 MET N N 15 117.0 . . 1 . . . . . . . . 4661 1 231 . 1 1 26 26 MET H H 1 8.44 . . 1 . . . . . . . . 4661 1 232 . 1 1 26 26 MET CA C 13 61.0 . . 1 . . . . . . . . 4661 1 233 . 1 1 26 26 MET HA H 1 3.74 . . 1 . . . . . . . . 4661 1 234 . 1 1 26 26 MET HB2 H 1 2.47 . . 1 . . . . . . . . 4661 1 235 . 1 1 26 26 MET HB3 H 1 2.47 . . 1 . . . . . . . . 4661 1 236 . 1 1 26 26 MET HG2 H 1 1.88 . . 2 . . . . . . . . 4661 1 237 . 1 1 26 26 MET HG3 H 1 2.95 . . 2 . . . . . . . . 4661 1 238 . 1 1 26 26 MET HE1 H 1 1.66 . . 1 . . . . . . . . 4661 1 239 . 1 1 26 26 MET HE2 H 1 1.66 . . 1 . . . . . . . . 4661 1 240 . 1 1 26 26 MET HE3 H 1 1.66 . . 1 . . . . . . . . 4661 1 241 . 1 1 26 26 MET CE C 13 16.0 . . 1 . . . . . . . . 4661 1 242 . 1 1 27 27 ASP N N 15 117.8 . . 1 . . . . . . . . 4661 1 243 . 1 1 27 27 ASP H H 1 7.79 . . 1 . . . . . . . . 4661 1 244 . 1 1 27 27 ASP CA C 13 57.7 . . 1 . . . . . . . . 4661 1 245 . 1 1 27 27 ASP HA H 1 4.19 . . 1 . . . . . . . . 4661 1 246 . 1 1 27 27 ASP HB2 H 1 2.42 . . 2 . . . . . . . . 4661 1 247 . 1 1 27 27 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 4661 1 248 . 1 1 28 28 HIS N N 15 116.3 . . 1 . . . . . . . . 4661 1 249 . 1 1 28 28 HIS H H 1 7.21 . . 1 . . . . . . . . 4661 1 250 . 1 1 28 28 HIS CA C 13 58.5 . . 1 . . . . . . . . 4661 1 251 . 1 1 28 28 HIS HA H 1 4.29 . . 1 . . . . . . . . 4661 1 252 . 1 1 28 28 HIS HB2 H 1 3.18 . . 2 . . . . . . . . 4661 1 253 . 1 1 28 28 HIS HB3 H 1 3.50 . . 2 . . . . . . . . 4661 1 254 . 1 1 29 29 MET N N 15 117.0 . . 1 . . . . . . . . 4661 1 255 . 1 1 29 29 MET H H 1 7.65 . . 1 . . . . . . . . 4661 1 256 . 1 1 29 29 MET CA C 13 59.2 . . 1 . . . . . . . . 4661 1 257 . 1 1 29 29 MET HA H 1 4.21 . . 1 . . . . . . . . 4661 1 258 . 1 1 29 29 MET HB2 H 1 1.94 . . 2 . . . . . . . . 4661 1 259 . 1 1 29 29 MET HB3 H 1 2.06 . . 2 . . . . . . . . 4661 1 260 . 1 1 29 29 MET HG2 H 1 2.71 . . 1 . . . . . . . . 4661 1 261 . 1 1 29 29 MET HG3 H 1 2.71 . . 1 . . . . . . . . 4661 1 262 . 1 1 30 30 ILE N N 15 121.3 . . 1 . . . . . . . . 4661 1 263 . 1 1 30 30 ILE H H 1 8.95 . . 1 . . . . . . . . 4661 1 264 . 1 1 30 30 ILE CA C 13 64.2 . . 1 . . . . . . . . 4661 1 265 . 1 1 30 30 ILE HA H 1 4.04 . . 1 . . . . . . . . 4661 1 266 . 1 1 30 30 ILE HB H 1 1.77 . . 1 . . . . . . . . 4661 1 267 . 1 1 30 30 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 4661 1 268 . 1 1 30 30 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 4661 1 269 . 1 1 30 30 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 4661 1 270 . 1 1 30 30 ILE CG2 C 13 16.5 . . 1 . . . . . . . . 4661 1 271 . 1 1 30 30 ILE HG12 H 1 1.46 . . 2 . . . . . . . . 4661 1 272 . 1 1 30 30 ILE HG13 H 1 1.63 . . 2 . . . . . . . . 4661 1 273 . 1 1 30 30 ILE HD11 H 1 0.60 . . 1 . . . . . . . . 4661 1 274 . 1 1 30 30 ILE HD12 H 1 0.60 . . 1 . . . . . . . . 4661 1 275 . 1 1 30 30 ILE HD13 H 1 0.60 . . 1 . . . . . . . . 4661 1 276 . 1 1 30 30 ILE CD1 C 13 13.3 . . 1 . . . . . . . . 4661 1 277 . 1 1 31 31 SER N N 15 117.4 . . 1 . . . . . . . . 4661 1 278 . 1 1 31 31 SER H H 1 7.80 . . 1 . . . . . . . . 4661 1 279 . 1 1 31 31 SER CA C 13 61.4 . . 1 . . . . . . . . 4661 1 280 . 1 1 31 31 SER HA H 1 4.05 . . 1 . . . . . . . . 4661 1 281 . 1 1 31 31 SER HB2 H 1 3.96 . . 1 . . . . . . . . 4661 1 282 . 1 1 31 31 SER HB3 H 1 3.96 . . 1 . . . . . . . . 4661 1 283 . 1 1 32 32 ASP N N 15 117.8 . . 1 . . . . . . . . 4661 1 284 . 1 1 32 32 ASP H H 1 7.93 . . 1 . . . . . . . . 4661 1 285 . 1 1 32 32 ASP CA C 13 55.2 . . 1 . . . . . . . . 4661 1 286 . 1 1 32 32 ASP HA H 1 4.36 . . 1 . . . . . . . . 4661 1 287 . 1 1 32 32 ASP HB2 H 1 2.89 . . 2 . . . . . . . . 4661 1 288 . 1 1 32 32 ASP HB3 H 1 2.98 . . 2 . . . . . . . . 4661 1 289 . 1 1 33 33 GLY N N 15 104.3 . . 1 . . . . . . . . 4661 1 290 . 1 1 33 33 GLY H H 1 7.54 . . 1 . . . . . . . . 4661 1 291 . 1 1 33 33 GLY CA C 13 44.4 . . 1 . . . . . . . . 4661 1 292 . 1 1 33 33 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 4661 1 293 . 1 1 33 33 GLY HA3 H 1 3.81 . . 2 . . . . . . . . 4661 1 294 . 1 1 34 34 PHE N N 15 117.0 . . 1 . . . . . . . . 4661 1 295 . 1 1 34 34 PHE H H 1 7.69 . . 1 . . . . . . . . 4661 1 296 . 1 1 34 34 PHE CA C 13 58.6 . . 1 . . . . . . . . 4661 1 297 . 1 1 34 34 PHE HA H 1 4.71 . . 1 . . . . . . . . 4661 1 298 . 1 1 34 34 PHE HB2 H 1 2.37 . . 2 . . . . . . . . 4661 1 299 . 1 1 34 34 PHE HB3 H 1 3.76 . . 2 . . . . . . . . 4661 1 300 . 1 1 34 34 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 4661 1 301 . 1 1 34 34 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 4661 1 302 . 1 1 34 34 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4661 1 303 . 1 1 34 34 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4661 1 304 . 1 1 34 34 PHE HZ H 1 7.23 . . 1 . . . . . . . . 4661 1 305 . 1 1 35 35 LEU N N 15 119.1 . . 1 . . . . . . . . 4661 1 306 . 1 1 35 35 LEU H H 1 7.05 . . 1 . . . . . . . . 4661 1 307 . 1 1 35 35 LEU CA C 13 53.2 . . 1 . . . . . . . . 4661 1 308 . 1 1 35 35 LEU HA H 1 4.64 . . 1 . . . . . . . . 4661 1 309 . 1 1 35 35 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4661 1 310 . 1 1 35 35 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4661 1 311 . 1 1 35 35 LEU HG H 1 1.10 . . 1 . . . . . . . . 4661 1 312 . 1 1 35 35 LEU CD1 C 13 25.7 . . 1 . . . . . . . . 4661 1 313 . 1 1 35 35 LEU HD11 H 1 0.77 . . 1 . . . . . . . . 4661 1 314 . 1 1 35 35 LEU HD12 H 1 0.77 . . 1 . . . . . . . . 4661 1 315 . 1 1 35 35 LEU HD13 H 1 0.77 . . 1 . . . . . . . . 4661 1 316 . 1 1 35 35 LEU HD21 H 1 0.77 . . 1 . . . . . . . . 4661 1 317 . 1 1 35 35 LEU HD22 H 1 0.77 . . 1 . . . . . . . . 4661 1 318 . 1 1 35 35 LEU HD23 H 1 0.77 . . 1 . . . . . . . . 4661 1 319 . 1 1 36 36 THR N N 15 115.7 . . 1 . . . . . . . . 4661 1 320 . 1 1 36 36 THR H H 1 8.96 . . 1 . . . . . . . . 4661 1 321 . 1 1 36 36 THR HA H 1 4.63 . . 1 . . . . . . . . 4661 1 322 . 1 1 36 36 THR CB C 13 71.2 . . 1 . . . . . . . . 4661 1 323 . 1 1 36 36 THR HB H 1 4.59 . . 1 . . . . . . . . 4661 1 324 . 1 1 36 36 THR HG21 H 1 1.11 . . 1 . . . . . . . . 4661 1 325 . 1 1 36 36 THR HG22 H 1 1.11 . . 1 . . . . . . . . 4661 1 326 . 1 1 36 36 THR HG23 H 1 1.11 . . 1 . . . . . . . . 4661 1 327 . 1 1 36 36 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4661 1 328 . 1 1 37 37 ILE N N 15 119.4 . . 1 . . . . . . . . 4661 1 329 . 1 1 37 37 ILE H H 1 8.58 . . 1 . . . . . . . . 4661 1 330 . 1 1 37 37 ILE CA C 13 63.7 . . 1 . . . . . . . . 4661 1 331 . 1 1 37 37 ILE HA H 1 3.95 . . 1 . . . . . . . . 4661 1 332 . 1 1 37 37 ILE HB H 1 1.85 . . 1 . . . . . . . . 4661 1 333 . 1 1 37 37 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4661 1 334 . 1 1 37 37 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4661 1 335 . 1 1 37 37 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4661 1 336 . 1 1 37 37 ILE CG2 C 13 17.2 . . 1 . . . . . . . . 4661 1 337 . 1 1 37 37 ILE HG12 H 1 1.27 . . 2 . . . . . . . . 4661 1 338 . 1 1 37 37 ILE HG13 H 1 1.48 . . 2 . . . . . . . . 4661 1 339 . 1 1 37 37 ILE HD11 H 1 0.80 . . 1 . . . . . . . . 4661 1 340 . 1 1 37 37 ILE HD12 H 1 0.80 . . 1 . . . . . . . . 4661 1 341 . 1 1 37 37 ILE HD13 H 1 0.80 . . 1 . . . . . . . . 4661 1 342 . 1 1 37 37 ILE CD1 C 13 12.4 . . 1 . . . . . . . . 4661 1 343 . 1 1 38 38 SER N N 15 115.0 . . 1 . . . . . . . . 4661 1 344 . 1 1 38 38 SER H H 1 7.98 . . 1 . . . . . . . . 4661 1 345 . 1 1 38 38 SER CA C 13 61.2 . . 1 . . . . . . . . 4661 1 346 . 1 1 38 38 SER HA H 1 4.19 . . 1 . . . . . . . . 4661 1 347 . 1 1 38 38 SER HB2 H 1 3.75 . . 1 . . . . . . . . 4661 1 348 . 1 1 38 38 SER HB3 H 1 3.75 . . 1 . . . . . . . . 4661 1 349 . 1 1 39 39 GLU N N 15 123.3 . . 1 . . . . . . . . 4661 1 350 . 1 1 39 39 GLU H H 1 7.57 . . 1 . . . . . . . . 4661 1 351 . 1 1 39 39 GLU CA C 13 59.3 . . 1 . . . . . . . . 4661 1 352 . 1 1 39 39 GLU HA H 1 3.73 . . 1 . . . . . . . . 4661 1 353 . 1 1 39 39 GLU HB2 H 1 1.83 . . 2 . . . . . . . . 4661 1 354 . 1 1 39 39 GLU HB3 H 1 2.17 . . 2 . . . . . . . . 4661 1 355 . 1 1 39 39 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 4661 1 356 . 1 1 39 39 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 4661 1 357 . 1 1 40 40 GLU N N 15 120.2 . . 1 . . . . . . . . 4661 1 358 . 1 1 40 40 GLU H H 1 8.23 . . 1 . . . . . . . . 4661 1 359 . 1 1 40 40 GLU CA C 13 59.2 . . 1 . . . . . . . . 4661 1 360 . 1 1 40 40 GLU HA H 1 3.93 . . 1 . . . . . . . . 4661 1 361 . 1 1 40 40 GLU HB2 H 1 2.42 . . 1 . . . . . . . . 4661 1 362 . 1 1 40 40 GLU HB3 H 1 2.42 . . 1 . . . . . . . . 4661 1 363 . 1 1 41 41 GLU N N 15 117.6 . . 1 . . . . . . . . 4661 1 364 . 1 1 41 41 GLU H H 1 8.03 . . 1 . . . . . . . . 4661 1 365 . 1 1 41 41 GLU HA H 1 3.94 . . 1 . . . . . . . . 4661 1 366 . 1 1 41 41 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 4661 1 367 . 1 1 41 41 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 4661 1 368 . 1 1 42 42 LYS N N 15 118.3 . . 1 . . . . . . . . 4661 1 369 . 1 1 42 42 LYS H H 1 7.33 . . 1 . . . . . . . . 4661 1 370 . 1 1 42 42 LYS CA C 13 58.7 . . 1 . . . . . . . . 4661 1 371 . 1 1 42 42 LYS HA H 1 3.89 . . 1 . . . . . . . . 4661 1 372 . 1 1 42 42 LYS HB2 H 1 1.56 . . 2 . . . . . . . . 4661 1 373 . 1 1 42 42 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 4661 1 374 . 1 1 42 42 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 4661 1 375 . 1 1 42 42 LYS HG3 H 1 1.34 . . 1 . . . . . . . . 4661 1 376 . 1 1 42 42 LYS HD2 H 1 1.48 . . 1 . . . . . . . . 4661 1 377 . 1 1 42 42 LYS HD3 H 1 1.48 . . 1 . . . . . . . . 4661 1 378 . 1 1 43 43 VAL N N 15 118.9 . . 1 . . . . . . . . 4661 1 379 . 1 1 43 43 VAL H H 1 7.78 . . 1 . . . . . . . . 4661 1 380 . 1 1 43 43 VAL CA C 13 66.9 . . 1 . . . . . . . . 4661 1 381 . 1 1 43 43 VAL HA H 1 3.43 . . 1 . . . . . . . . 4661 1 382 . 1 1 43 43 VAL CB C 13 31.7 . . 1 . . . . . . . . 4661 1 383 . 1 1 43 43 VAL HB H 1 1.95 . . 1 . . . . . . . . 4661 1 384 . 1 1 43 43 VAL HG11 H 1 0.96 . . 2 . . . . . . . . 4661 1 385 . 1 1 43 43 VAL HG12 H 1 0.96 . . 2 . . . . . . . . 4661 1 386 . 1 1 43 43 VAL HG13 H 1 0.96 . . 2 . . . . . . . . 4661 1 387 . 1 1 43 43 VAL HG21 H 1 0.84 . . 2 . . . . . . . . 4661 1 388 . 1 1 43 43 VAL HG22 H 1 0.84 . . 2 . . . . . . . . 4661 1 389 . 1 1 43 43 VAL HG23 H 1 0.84 . . 2 . . . . . . . . 4661 1 390 . 1 1 43 43 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 4661 1 391 . 1 1 43 43 VAL CG2 C 13 22.5 . . 1 . . . . . . . . 4661 1 392 . 1 1 44 44 ARG N N 15 115.9 . . 1 . . . . . . . . 4661 1 393 . 1 1 44 44 ARG H H 1 8.35 . . 1 . . . . . . . . 4661 1 394 . 1 1 44 44 ARG CA C 13 58.7 . . 1 . . . . . . . . 4661 1 395 . 1 1 44 44 ARG HA H 1 3.64 . . 1 . . . . . . . . 4661 1 396 . 1 1 44 44 ARG HB2 H 1 1.69 . . 1 . . . . . . . . 4661 1 397 . 1 1 44 44 ARG HB3 H 1 1.69 . . 1 . . . . . . . . 4661 1 398 . 1 1 44 44 ARG HG2 H 1 1.54 . . 1 . . . . . . . . 4661 1 399 . 1 1 44 44 ARG HG3 H 1 1.54 . . 1 . . . . . . . . 4661 1 400 . 1 1 45 45 ASN N N 15 113.3 . . 1 . . . . . . . . 4661 1 401 . 1 1 45 45 ASN H H 1 7.37 . . 1 . . . . . . . . 4661 1 402 . 1 1 45 45 ASN CA C 13 53.6 . . 1 . . . . . . . . 4661 1 403 . 1 1 45 45 ASN HA H 1 4.43 . . 1 . . . . . . . . 4661 1 404 . 1 1 45 45 ASN HB2 H 1 2.69 . . 2 . . . . . . . . 4661 1 405 . 1 1 45 45 ASN HB3 H 1 2.80 . . 2 . . . . . . . . 4661 1 406 . 1 1 46 46 GLU N N 15 120.9 . . 1 . . . . . . . . 4661 1 407 . 1 1 46 46 GLU H H 1 7.74 . . 1 . . . . . . . . 4661 1 408 . 1 1 46 46 GLU CA C 13 54.0 . . 1 . . . . . . . . 4661 1 409 . 1 1 46 46 GLU HA H 1 4.52 . . 1 . . . . . . . . 4661 1 410 . 1 1 46 46 GLU HB2 H 1 1.82 . . 2 . . . . . . . . 4661 1 411 . 1 1 46 46 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 4661 1 412 . 1 1 46 46 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4661 1 413 . 1 1 46 46 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 4661 1 414 . 1 1 48 48 THR N N 15 104.6 . . 1 . . . . . . . . 4661 1 415 . 1 1 48 48 THR H H 1 6.77 . . 1 . . . . . . . . 4661 1 416 . 1 1 48 48 THR CA C 13 58.4 . . 1 . . . . . . . . 4661 1 417 . 1 1 48 48 THR HA H 1 4.81 . . 1 . . . . . . . . 4661 1 418 . 1 1 48 48 THR CB C 13 73.1 . . 1 . . . . . . . . 4661 1 419 . 1 1 48 48 THR HB H 1 4.54 . . 1 . . . . . . . . 4661 1 420 . 1 1 48 48 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4661 1 421 . 1 1 48 48 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4661 1 422 . 1 1 48 48 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4661 1 423 . 1 1 50 50 GLN HA H 1 4.29 . . 1 . . . . . . . . 4661 1 424 . 1 1 51 51 GLN N N 15 117.0 . . 1 . . . . . . . . 4661 1 425 . 1 1 51 51 GLN H H 1 7.60 . . 1 . . . . . . . . 4661 1 426 . 1 1 51 51 GLN HA H 1 4.07 . . 1 . . . . . . . . 4661 1 427 . 1 1 51 51 GLN HB2 H 1 1.86 . . 2 . . . . . . . . 4661 1 428 . 1 1 51 51 GLN HB3 H 1 2.22 . . 2 . . . . . . . . 4661 1 429 . 1 1 51 51 GLN HG2 H 1 2.47 . . 1 . . . . . . . . 4661 1 430 . 1 1 51 51 GLN HG3 H 1 2.47 . . 1 . . . . . . . . 4661 1 431 . 1 1 52 52 ARG N N 15 122.3 . . 1 . . . . . . . . 4661 1 432 . 1 1 52 52 ARG H H 1 8.44 . . 1 . . . . . . . . 4661 1 433 . 1 1 52 52 ARG CA C 13 57.3 . . 1 . . . . . . . . 4661 1 434 . 1 1 52 52 ARG HA H 1 3.94 . . 1 . . . . . . . . 4661 1 435 . 1 1 52 52 ARG HB2 H 1 2.02 . . 1 . . . . . . . . 4661 1 436 . 1 1 52 52 ARG HB3 H 1 2.02 . . 1 . . . . . . . . 4661 1 437 . 1 1 52 52 ARG HG2 H 1 1.66 . . 1 . . . . . . . . 4661 1 438 . 1 1 52 52 ARG HG3 H 1 1.66 . . 1 . . . . . . . . 4661 1 439 . 1 1 53 53 ALA N N 15 121.3 . . 1 . . . . . . . . 4661 1 440 . 1 1 53 53 ALA H H 1 8.13 . . 1 . . . . . . . . 4661 1 441 . 1 1 53 53 ALA CA C 13 55.3 . . 1 . . . . . . . . 4661 1 442 . 1 1 53 53 ALA HA H 1 3.63 . . 1 . . . . . . . . 4661 1 443 . 1 1 53 53 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 4661 1 444 . 1 1 53 53 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 4661 1 445 . 1 1 53 53 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 4661 1 446 . 1 1 53 53 ALA CB C 13 18.7 . . 1 . . . . . . . . 4661 1 447 . 1 1 54 54 ALA N N 15 118.0 . . 1 . . . . . . . . 4661 1 448 . 1 1 54 54 ALA H H 1 8.42 . . 1 . . . . . . . . 4661 1 449 . 1 1 54 54 ALA CA C 13 54.7 . . 1 . . . . . . . . 4661 1 450 . 1 1 54 54 ALA HA H 1 3.98 . . 1 . . . . . . . . 4661 1 451 . 1 1 54 54 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4661 1 452 . 1 1 54 54 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4661 1 453 . 1 1 54 54 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4661 1 454 . 1 1 54 54 ALA CB C 13 18.4 . . 1 . . . . . . . . 4661 1 455 . 1 1 55 55 MET N N 15 117.6 . . 1 . . . . . . . . 4661 1 456 . 1 1 55 55 MET H H 1 7.82 . . 1 . . . . . . . . 4661 1 457 . 1 1 55 55 MET CA C 13 56.8 . . 1 . . . . . . . . 4661 1 458 . 1 1 55 55 MET HA H 1 4.24 . . 1 . . . . . . . . 4661 1 459 . 1 1 55 55 MET HB2 H 1 2.24 . . 2 . . . . . . . . 4661 1 460 . 1 1 55 55 MET HB3 H 1 2.40 . . 2 . . . . . . . . 4661 1 461 . 1 1 55 55 MET HE1 H 1 1.97 . . 1 . . . . . . . . 4661 1 462 . 1 1 55 55 MET HE2 H 1 1.97 . . 1 . . . . . . . . 4661 1 463 . 1 1 55 55 MET HE3 H 1 1.97 . . 1 . . . . . . . . 4661 1 464 . 1 1 55 55 MET CE C 13 16.7 . . 1 . . . . . . . . 4661 1 465 . 1 1 56 56 LEU N N 15 120.2 . . 1 . . . . . . . . 4661 1 466 . 1 1 56 56 LEU H H 1 8.20 . . 1 . . . . . . . . 4661 1 467 . 1 1 56 56 LEU CA C 13 57.7 . . 1 . . . . . . . . 4661 1 468 . 1 1 56 56 LEU HA H 1 3.92 . . 1 . . . . . . . . 4661 1 469 . 1 1 56 56 LEU HB2 H 1 1.95 . . 1 . . . . . . . . 4661 1 470 . 1 1 56 56 LEU HB3 H 1 1.95 . . 1 . . . . . . . . 4661 1 471 . 1 1 56 56 LEU HG H 1 1.40 . . 1 . . . . . . . . 4661 1 472 . 1 1 56 56 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 4661 1 473 . 1 1 56 56 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 4661 1 474 . 1 1 56 56 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 4661 1 475 . 1 1 56 56 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 4661 1 476 . 1 1 56 56 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 4661 1 477 . 1 1 56 56 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 4661 1 478 . 1 1 57 57 ILE N N 15 117.6 . . 1 . . . . . . . . 4661 1 479 . 1 1 57 57 ILE H H 1 8.11 . . 1 . . . . . . . . 4661 1 480 . 1 1 57 57 ILE CA C 13 65.0 . . 1 . . . . . . . . 4661 1 481 . 1 1 57 57 ILE HA H 1 3.14 . . 1 . . . . . . . . 4661 1 482 . 1 1 57 57 ILE HB H 1 1.90 . . 1 . . . . . . . . 4661 1 483 . 1 1 57 57 ILE HG21 H 1 0.68 . . 1 . . . . . . . . 4661 1 484 . 1 1 57 57 ILE HG22 H 1 0.68 . . 1 . . . . . . . . 4661 1 485 . 1 1 57 57 ILE HG23 H 1 0.68 . . 1 . . . . . . . . 4661 1 486 . 1 1 57 57 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 4661 1 487 . 1 1 57 57 ILE HG12 H 1 0.97 . . 2 . . . . . . . . 4661 1 488 . 1 1 57 57 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 4661 1 489 . 1 1 57 57 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4661 1 490 . 1 1 57 57 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4661 1 491 . 1 1 57 57 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4661 1 492 . 1 1 57 57 ILE CD1 C 13 14.0 . . 1 . . . . . . . . 4661 1 493 . 1 1 58 58 LYS N N 15 118.7 . . 1 . . . . . . . . 4661 1 494 . 1 1 58 58 LYS H H 1 7.80 . . 1 . . . . . . . . 4661 1 495 . 1 1 58 58 LYS CA C 13 60.0 . . 1 . . . . . . . . 4661 1 496 . 1 1 58 58 LYS HA H 1 3.73 . . 1 . . . . . . . . 4661 1 497 . 1 1 58 58 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4661 1 498 . 1 1 58 58 LYS HB3 H 1 1.90 . . 1 . . . . . . . . 4661 1 499 . 1 1 58 58 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 4661 1 500 . 1 1 58 58 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 4661 1 501 . 1 1 59 59 MET N N 15 116.3 . . 1 . . . . . . . . 4661 1 502 . 1 1 59 59 MET H H 1 7.95 . . 1 . . . . . . . . 4661 1 503 . 1 1 59 59 MET CA C 13 58.5 . . 1 . . . . . . . . 4661 1 504 . 1 1 59 59 MET HA H 1 3.95 . . 1 . . . . . . . . 4661 1 505 . 1 1 59 59 MET HB2 H 1 1.66 . . 2 . . . . . . . . 4661 1 506 . 1 1 59 59 MET HB3 H 1 2.20 . . 2 . . . . . . . . 4661 1 507 . 1 1 59 59 MET HG2 H 1 2.49 . . 2 . . . . . . . . 4661 1 508 . 1 1 59 59 MET HG3 H 1 2.60 . . 2 . . . . . . . . 4661 1 509 . 1 1 59 59 MET HE1 H 1 1.93 . . 1 . . . . . . . . 4661 1 510 . 1 1 59 59 MET HE2 H 1 1.93 . . 1 . . . . . . . . 4661 1 511 . 1 1 59 59 MET HE3 H 1 1.93 . . 1 . . . . . . . . 4661 1 512 . 1 1 59 59 MET CE C 13 15.7 . . 1 . . . . . . . . 4661 1 513 . 1 1 60 60 ILE N N 15 120.4 . . 1 . . . . . . . . 4661 1 514 . 1 1 60 60 ILE H H 1 8.18 . . 1 . . . . . . . . 4661 1 515 . 1 1 60 60 ILE CA C 13 65.0 . . 1 . . . . . . . . 4661 1 516 . 1 1 60 60 ILE HA H 1 3.23 . . 1 . . . . . . . . 4661 1 517 . 1 1 60 60 ILE HB H 1 1.48 . . 1 . . . . . . . . 4661 1 518 . 1 1 60 60 ILE HG21 H 1 0.44 . . 1 . . . . . . . . 4661 1 519 . 1 1 60 60 ILE HG22 H 1 0.44 . . 1 . . . . . . . . 4661 1 520 . 1 1 60 60 ILE HG23 H 1 0.44 . . 1 . . . . . . . . 4661 1 521 . 1 1 60 60 ILE CG2 C 13 16.8 . . 1 . . . . . . . . 4661 1 522 . 1 1 60 60 ILE HG12 H 1 0.57 . . 2 . . . . . . . . 4661 1 523 . 1 1 60 60 ILE HG13 H 1 0.56 . . 2 . . . . . . . . 4661 1 524 . 1 1 60 60 ILE HD11 H 1 -0.11 . . 1 . . . . . . . . 4661 1 525 . 1 1 60 60 ILE HD12 H 1 -0.11 . . 1 . . . . . . . . 4661 1 526 . 1 1 60 60 ILE HD13 H 1 -0.11 . . 1 . . . . . . . . 4661 1 527 . 1 1 60 60 ILE CD1 C 13 12.7 . . 1 . . . . . . . . 4661 1 528 . 1 1 61 61 LEU N N 15 117.6 . . 1 . . . . . . . . 4661 1 529 . 1 1 61 61 LEU H H 1 8.02 . . 1 . . . . . . . . 4661 1 530 . 1 1 61 61 LEU CA C 13 57.2 . . 1 . . . . . . . . 4661 1 531 . 1 1 61 61 LEU HA H 1 3.77 . . 1 . . . . . . . . 4661 1 532 . 1 1 61 61 LEU HB2 H 1 1.60 . . 2 . . . . . . . . 4661 1 533 . 1 1 61 61 LEU HB3 H 1 1.87 . . 2 . . . . . . . . 4661 1 534 . 1 1 61 61 LEU HG H 1 1.38 . . 1 . . . . . . . . 4661 1 535 . 1 1 61 61 LEU HD11 H 1 0.41 . . 2 . . . . . . . . 4661 1 536 . 1 1 61 61 LEU HD12 H 1 0.41 . . 2 . . . . . . . . 4661 1 537 . 1 1 61 61 LEU HD13 H 1 0.41 . . 2 . . . . . . . . 4661 1 538 . 1 1 61 61 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4661 1 539 . 1 1 61 61 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4661 1 540 . 1 1 61 61 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4661 1 541 . 1 1 61 61 LEU CD1 C 13 17.5 . . 1 . . . . . . . . 4661 1 542 . 1 1 61 61 LEU CD2 C 13 24.7 . . 1 . . . . . . . . 4661 1 543 . 1 1 62 62 LYS N N 15 115.9 . . 1 . . . . . . . . 4661 1 544 . 1 1 62 62 LYS H H 1 7.02 . . 1 . . . . . . . . 4661 1 545 . 1 1 62 62 LYS CA C 13 55.7 . . 1 . . . . . . . . 4661 1 546 . 1 1 62 62 LYS HA H 1 4.41 . . 1 . . . . . . . . 4661 1 547 . 1 1 62 62 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 4661 1 548 . 1 1 62 62 LYS HB3 H 1 2.04 . . 2 . . . . . . . . 4661 1 549 . 1 1 62 62 LYS HG2 H 1 1.40 . . 2 . . . . . . . . 4661 1 550 . 1 1 62 62 LYS HG3 H 1 1.57 . . 2 . . . . . . . . 4661 1 551 . 1 1 62 62 LYS HD2 H 1 1.60 . . 1 . . . . . . . . 4661 1 552 . 1 1 62 62 LYS HD3 H 1 1.60 . . 1 . . . . . . . . 4661 1 553 . 1 1 63 63 LYS N N 15 121.5 . . 1 . . . . . . . . 4661 1 554 . 1 1 63 63 LYS H H 1 7.83 . . 1 . . . . . . . . 4661 1 555 . 1 1 63 63 LYS CA C 13 55.7 . . 1 . . . . . . . . 4661 1 556 . 1 1 63 63 LYS HA H 1 4.57 . . 1 . . . . . . . . 4661 1 557 . 1 1 63 63 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 4661 1 558 . 1 1 63 63 LYS HB3 H 1 2.15 . . 2 . . . . . . . . 4661 1 559 . 1 1 63 63 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 4661 1 560 . 1 1 63 63 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 4661 1 561 . 1 1 63 63 LYS HD2 H 1 1.73 . . 2 . . . . . . . . 4661 1 562 . 1 1 63 63 LYS HD3 H 1 1.72 . . 2 . . . . . . . . 4661 1 563 . 1 1 64 64 ASP N N 15 117.4 . . 1 . . . . . . . . 4661 1 564 . 1 1 64 64 ASP H H 1 7.54 . . 1 . . . . . . . . 4661 1 565 . 1 1 64 64 ASP CA C 13 52.2 . . 1 . . . . . . . . 4661 1 566 . 1 1 64 64 ASP HA H 1 4.52 . . 1 . . . . . . . . 4661 1 567 . 1 1 64 64 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 4661 1 568 . 1 1 64 64 ASP HB3 H 1 3.08 . . 2 . . . . . . . . 4661 1 569 . 1 1 65 65 ASN N N 15 118.5 . . 1 . . . . . . . . 4661 1 570 . 1 1 65 65 ASN H H 1 8.53 . . 1 . . . . . . . . 4661 1 571 . 1 1 65 65 ASN CA C 13 55.7 . . 1 . . . . . . . . 4661 1 572 . 1 1 65 65 ASN HA H 1 4.24 . . 1 . . . . . . . . 4661 1 573 . 1 1 65 65 ASN HB2 H 1 2.55 . . 2 . . . . . . . . 4661 1 574 . 1 1 65 65 ASN HB3 H 1 2.75 . . 2 . . . . . . . . 4661 1 575 . 1 1 66 66 ASP N N 15 118.0 . . 1 . . . . . . . . 4661 1 576 . 1 1 66 66 ASP H H 1 8.11 . . 1 . . . . . . . . 4661 1 577 . 1 1 66 66 ASP CA C 13 57.0 . . 1 . . . . . . . . 4661 1 578 . 1 1 66 66 ASP HA H 1 4.04 . . 1 . . . . . . . . 4661 1 579 . 1 1 66 66 ASP HB2 H 1 2.14 . . 2 . . . . . . . . 4661 1 580 . 1 1 66 66 ASP HB3 H 1 2.29 . . 2 . . . . . . . . 4661 1 581 . 1 1 67 67 SER N N 15 117.6 . . 1 . . . . . . . . 4661 1 582 . 1 1 67 67 SER H H 1 7.88 . . 1 . . . . . . . . 4661 1 583 . 1 1 67 67 SER CA C 13 62.4 . . 1 . . . . . . . . 4661 1 584 . 1 1 67 67 SER HA H 1 4.00 . . 1 . . . . . . . . 4661 1 585 . 1 1 67 67 SER HB2 H 1 3.45 . . 2 . . . . . . . . 4661 1 586 . 1 1 67 67 SER HB3 H 1 3.56 . . 2 . . . . . . . . 4661 1 587 . 1 1 68 68 TYR N N 15 123.7 . . 1 . . . . . . . . 4661 1 588 . 1 1 68 68 TYR H H 1 7.55 . . 1 . . . . . . . . 4661 1 589 . 1 1 68 68 TYR CA C 13 61.9 . . 1 . . . . . . . . 4661 1 590 . 1 1 68 68 TYR HA H 1 3.76 . . 1 . . . . . . . . 4661 1 591 . 1 1 68 68 TYR HB2 H 1 2.78 . . 2 . . . . . . . . 4661 1 592 . 1 1 68 68 TYR HB3 H 1 3.44 . . 2 . . . . . . . . 4661 1 593 . 1 1 68 68 TYR HD1 H 1 6.70 . . 1 . . . . . . . . 4661 1 594 . 1 1 68 68 TYR HD2 H 1 6.70 . . 1 . . . . . . . . 4661 1 595 . 1 1 68 68 TYR HE1 H 1 6.57 . . 1 . . . . . . . . 4661 1 596 . 1 1 68 68 TYR HE2 H 1 6.57 . . 1 . . . . . . . . 4661 1 597 . 1 1 69 69 VAL N N 15 118.3 . . 1 . . . . . . . . 4661 1 598 . 1 1 69 69 VAL H H 1 7.95 . . 1 . . . . . . . . 4661 1 599 . 1 1 69 69 VAL CA C 13 67.0 . . 1 . . . . . . . . 4661 1 600 . 1 1 69 69 VAL HA H 1 3.41 . . 1 . . . . . . . . 4661 1 601 . 1 1 69 69 VAL HB H 1 2.08 . . 1 . . . . . . . . 4661 1 602 . 1 1 69 69 VAL HG11 H 1 0.95 . . 2 . . . . . . . . 4661 1 603 . 1 1 69 69 VAL HG12 H 1 0.95 . . 2 . . . . . . . . 4661 1 604 . 1 1 69 69 VAL HG13 H 1 0.95 . . 2 . . . . . . . . 4661 1 605 . 1 1 69 69 VAL HG21 H 1 1.06 . . 2 . . . . . . . . 4661 1 606 . 1 1 69 69 VAL HG22 H 1 1.06 . . 2 . . . . . . . . 4661 1 607 . 1 1 69 69 VAL HG23 H 1 1.06 . . 2 . . . . . . . . 4661 1 608 . 1 1 69 69 VAL CG1 C 13 21.2 . . 1 . . . . . . . . 4661 1 609 . 1 1 69 69 VAL CG2 C 13 23.4 . . 1 . . . . . . . . 4661 1 610 . 1 1 70 70 SER N N 15 113.7 . . 1 . . . . . . . . 4661 1 611 . 1 1 70 70 SER H H 1 7.66 . . 1 . . . . . . . . 4661 1 612 . 1 1 70 70 SER CA C 13 61.5 . . 1 . . . . . . . . 4661 1 613 . 1 1 70 70 SER HA H 1 4.27 . . 1 . . . . . . . . 4661 1 614 . 1 1 70 70 SER HB2 H 1 3.83 . . 2 . . . . . . . . 4661 1 615 . 1 1 70 70 SER HB3 H 1 4.02 . . 2 . . . . . . . . 4661 1 616 . 1 1 71 71 PHE N N 15 120.9 . . 1 . . . . . . . . 4661 1 617 . 1 1 71 71 PHE H H 1 8.17 . . 1 . . . . . . . . 4661 1 618 . 1 1 71 71 PHE CA C 13 60.2 . . 1 . . . . . . . . 4661 1 619 . 1 1 71 71 PHE HA H 1 4.38 . . 1 . . . . . . . . 4661 1 620 . 1 1 71 71 PHE HB2 H 1 3.10 . . 2 . . . . . . . . 4661 1 621 . 1 1 71 71 PHE HB3 H 1 3.09 . . 2 . . . . . . . . 4661 1 622 . 1 1 71 71 PHE HD1 H 1 6.92 . . 1 . . . . . . . . 4661 1 623 . 1 1 71 71 PHE HD2 H 1 6.92 . . 1 . . . . . . . . 4661 1 624 . 1 1 71 71 PHE HE1 H 1 6.82 . . 1 . . . . . . . . 4661 1 625 . 1 1 71 71 PHE HE2 H 1 6.82 . . 1 . . . . . . . . 4661 1 626 . 1 1 71 71 PHE HZ H 1 6.73 . . 1 . . . . . . . . 4661 1 627 . 1 1 72 72 TYR N N 15 119.8 . . 1 . . . . . . . . 4661 1 628 . 1 1 72 72 TYR H H 1 8.43 . . 1 . . . . . . . . 4661 1 629 . 1 1 72 72 TYR CA C 13 61.9 . . 1 . . . . . . . . 4661 1 630 . 1 1 72 72 TYR HA H 1 3.46 . . 1 . . . . . . . . 4661 1 631 . 1 1 72 72 TYR HB2 H 1 2.56 . . 2 . . . . . . . . 4661 1 632 . 1 1 72 72 TYR HB3 H 1 3.17 . . 2 . . . . . . . . 4661 1 633 . 1 1 72 72 TYR HD1 H 1 6.91 . . 1 . . . . . . . . 4661 1 634 . 1 1 72 72 TYR HD2 H 1 6.91 . . 1 . . . . . . . . 4661 1 635 . 1 1 72 72 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 4661 1 636 . 1 1 72 72 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 4661 1 637 . 1 1 73 73 ASN N N 15 116.7 . . 1 . . . . . . . . 4661 1 638 . 1 1 73 73 ASN H H 1 8.85 . . 1 . . . . . . . . 4661 1 639 . 1 1 73 73 ASN CA C 13 55.2 . . 1 . . . . . . . . 4661 1 640 . 1 1 73 73 ASN HA H 1 4.00 . . 1 . . . . . . . . 4661 1 641 . 1 1 73 73 ASN HB2 H 1 2.55 . . 2 . . . . . . . . 4661 1 642 . 1 1 73 73 ASN HB3 H 1 2.95 . . 2 . . . . . . . . 4661 1 643 . 1 1 74 74 ALA N N 15 124.8 . . 1 . . . . . . . . 4661 1 644 . 1 1 74 74 ALA H H 1 8.39 . . 1 . . . . . . . . 4661 1 645 . 1 1 74 74 ALA CA C 13 55.2 . . 1 . . . . . . . . 4661 1 646 . 1 1 74 74 ALA HA H 1 3.56 . . 1 . . . . . . . . 4661 1 647 . 1 1 74 74 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4661 1 648 . 1 1 74 74 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4661 1 649 . 1 1 74 74 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4661 1 650 . 1 1 74 74 ALA CB C 13 19.5 . . 1 . . . . . . . . 4661 1 651 . 1 1 75 75 LEU N N 15 117.2 . . 1 . . . . . . . . 4661 1 652 . 1 1 75 75 LEU H H 1 7.96 . . 1 . . . . . . . . 4661 1 653 . 1 1 75 75 LEU CA C 13 57.7 . . 1 . . . . . . . . 4661 1 654 . 1 1 75 75 LEU HA H 1 3.69 . . 1 . . . . . . . . 4661 1 655 . 1 1 75 75 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 4661 1 656 . 1 1 75 75 LEU HB3 H 1 1.72 . . 2 . . . . . . . . 4661 1 657 . 1 1 75 75 LEU HG H 1 1.01 . . 1 . . . . . . . . 4661 1 658 . 1 1 75 75 LEU HD11 H 1 -0.06 . . 2 . . . . . . . . 4661 1 659 . 1 1 75 75 LEU HD12 H 1 -0.06 . . 2 . . . . . . . . 4661 1 660 . 1 1 75 75 LEU HD13 H 1 -0.06 . . 2 . . . . . . . . 4661 1 661 . 1 1 75 75 LEU HD21 H 1 0.18 . . 2 . . . . . . . . 4661 1 662 . 1 1 75 75 LEU HD22 H 1 0.18 . . 2 . . . . . . . . 4661 1 663 . 1 1 75 75 LEU HD23 H 1 0.18 . . 2 . . . . . . . . 4661 1 664 . 1 1 75 75 LEU CD1 C 13 26.0 . . 1 . . . . . . . . 4661 1 665 . 1 1 75 75 LEU CD2 C 13 23.2 . . 1 . . . . . . . . 4661 1 666 . 1 1 76 76 LEU N N 15 117.8 . . 1 . . . . . . . . 4661 1 667 . 1 1 76 76 LEU H H 1 7.57 . . 1 . . . . . . . . 4661 1 668 . 1 1 76 76 LEU CA C 13 57.6 . . 1 . . . . . . . . 4661 1 669 . 1 1 76 76 LEU HA H 1 3.43 . . 1 . . . . . . . . 4661 1 670 . 1 1 76 76 LEU HB2 H 1 1.24 . . 1 . . . . . . . . 4661 1 671 . 1 1 76 76 LEU HB3 H 1 1.24 . . 1 . . . . . . . . 4661 1 672 . 1 1 76 76 LEU HG H 1 1.15 . . 1 . . . . . . . . 4661 1 673 . 1 1 76 76 LEU HD11 H 1 0.67 . . 2 . . . . . . . . 4661 1 674 . 1 1 76 76 LEU HD12 H 1 0.67 . . 2 . . . . . . . . 4661 1 675 . 1 1 76 76 LEU HD13 H 1 0.67 . . 2 . . . . . . . . 4661 1 676 . 1 1 76 76 LEU HD21 H 1 0.51 . . 2 . . . . . . . . 4661 1 677 . 1 1 76 76 LEU HD22 H 1 0.51 . . 2 . . . . . . . . 4661 1 678 . 1 1 76 76 LEU HD23 H 1 0.51 . . 2 . . . . . . . . 4661 1 679 . 1 1 76 76 LEU CD1 C 13 24.7 . . 1 . . . . . . . . 4661 1 680 . 1 1 76 76 LEU CD2 C 13 24.0 . . 1 . . . . . . . . 4661 1 681 . 1 1 77 77 HIS N N 15 118.9 . . 1 . . . . . . . . 4661 1 682 . 1 1 77 77 HIS H H 1 8.39 . . 1 . . . . . . . . 4661 1 683 . 1 1 77 77 HIS CA C 13 58.7 . . 1 . . . . . . . . 4661 1 684 . 1 1 77 77 HIS HA H 1 4.06 . . 1 . . . . . . . . 4661 1 685 . 1 1 77 77 HIS HB2 H 1 2.85 . . 2 . . . . . . . . 4661 1 686 . 1 1 77 77 HIS HB3 H 1 2.93 . . 2 . . . . . . . . 4661 1 687 . 1 1 77 77 HIS HD2 H 1 6.90 . . 1 . . . . . . . . 4661 1 688 . 1 1 78 78 GLU N N 15 113.9 . . 1 . . . . . . . . 4661 1 689 . 1 1 78 78 GLU H H 1 7.60 . . 1 . . . . . . . . 4661 1 690 . 1 1 78 78 GLU CA C 13 54.7 . . 1 . . . . . . . . 4661 1 691 . 1 1 78 78 GLU HA H 1 4.29 . . 1 . . . . . . . . 4661 1 692 . 1 1 78 78 GLU HB2 H 1 2.41 . . 2 . . . . . . . . 4661 1 693 . 1 1 78 78 GLU HB3 H 1 1.84 . . 2 . . . . . . . . 4661 1 694 . 1 1 78 78 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 4661 1 695 . 1 1 78 78 GLU HG3 H 1 2.56 . . 2 . . . . . . . . 4661 1 696 . 1 1 79 79 GLY N N 15 105.0 . . 1 . . . . . . . . 4661 1 697 . 1 1 79 79 GLY H H 1 7.45 . . 1 . . . . . . . . 4661 1 698 . 1 1 79 79 GLY CA C 13 45.5 . . 1 . . . . . . . . 4661 1 699 . 1 1 79 79 GLY HA2 H 1 3.51 . . 2 . . . . . . . . 4661 1 700 . 1 1 79 79 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 4661 1 701 . 1 1 80 80 TYR N N 15 122.8 . . 1 . . . . . . . . 4661 1 702 . 1 1 80 80 TYR H H 1 8.32 . . 1 . . . . . . . . 4661 1 703 . 1 1 80 80 TYR CA C 13 55.7 . . 1 . . . . . . . . 4661 1 704 . 1 1 80 80 TYR HA H 1 4.73 . . 1 . . . . . . . . 4661 1 705 . 1 1 80 80 TYR HB2 H 1 2.66 . . 2 . . . . . . . . 4661 1 706 . 1 1 80 80 TYR HB3 H 1 2.94 . . 2 . . . . . . . . 4661 1 707 . 1 1 80 80 TYR HD1 H 1 7.10 . . 1 . . . . . . . . 4661 1 708 . 1 1 80 80 TYR HD2 H 1 7.10 . . 1 . . . . . . . . 4661 1 709 . 1 1 80 80 TYR HE1 H 1 6.83 . . 1 . . . . . . . . 4661 1 710 . 1 1 80 80 TYR HE2 H 1 6.83 . . 1 . . . . . . . . 4661 1 711 . 1 1 81 81 LYS N N 15 120.7 . . 1 . . . . . . . . 4661 1 712 . 1 1 81 81 LYS H H 1 7.70 . . 1 . . . . . . . . 4661 1 713 . 1 1 81 81 LYS CA C 13 59.9 . . 1 . . . . . . . . 4661 1 714 . 1 1 81 81 LYS HA H 1 3.56 . . 1 . . . . . . . . 4661 1 715 . 1 1 81 81 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 4661 1 716 . 1 1 81 81 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 4661 1 717 . 1 1 81 81 LYS HG2 H 1 1.22 . . 2 . . . . . . . . 4661 1 718 . 1 1 81 81 LYS HG3 H 1 1.26 . . 2 . . . . . . . . 4661 1 719 . 1 1 81 81 LYS HD2 H 1 1.53 . . 1 . . . . . . . . 4661 1 720 . 1 1 81 81 LYS HD3 H 1 1.53 . . 1 . . . . . . . . 4661 1 721 . 1 1 82 82 ASP N N 15 118.9 . . 1 . . . . . . . . 4661 1 722 . 1 1 82 82 ASP H H 1 8.41 . . 1 . . . . . . . . 4661 1 723 . 1 1 82 82 ASP CA C 13 56.7 . . 1 . . . . . . . . 4661 1 724 . 1 1 82 82 ASP HA H 1 4.29 . . 1 . . . . . . . . 4661 1 725 . 1 1 82 82 ASP HB2 H 1 2.59 . . 1 . . . . . . . . 4661 1 726 . 1 1 82 82 ASP HB3 H 1 2.59 . . 1 . . . . . . . . 4661 1 727 . 1 1 83 83 LEU N N 15 119.6 . . 1 . . . . . . . . 4661 1 728 . 1 1 83 83 LEU H H 1 7.68 . . 1 . . . . . . . . 4661 1 729 . 1 1 83 83 LEU CA C 13 56.7 . . 1 . . . . . . . . 4661 1 730 . 1 1 83 83 LEU HA H 1 3.95 . . 1 . . . . . . . . 4661 1 731 . 1 1 83 83 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4661 1 732 . 1 1 83 83 LEU HB3 H 1 1.74 . . 2 . . . . . . . . 4661 1 733 . 1 1 83 83 LEU HG H 1 1.12 . . 1 . . . . . . . . 4661 1 734 . 1 1 83 83 LEU HD11 H 1 0.76 . . 2 . . . . . . . . 4661 1 735 . 1 1 83 83 LEU HD12 H 1 0.76 . . 2 . . . . . . . . 4661 1 736 . 1 1 83 83 LEU HD13 H 1 0.76 . . 2 . . . . . . . . 4661 1 737 . 1 1 83 83 LEU HD21 H 1 0.66 . . 2 . . . . . . . . 4661 1 738 . 1 1 83 83 LEU HD22 H 1 0.66 . . 2 . . . . . . . . 4661 1 739 . 1 1 83 83 LEU HD23 H 1 0.66 . . 2 . . . . . . . . 4661 1 740 . 1 1 83 83 LEU CD1 C 13 26.5 . . 1 . . . . . . . . 4661 1 741 . 1 1 83 83 LEU CD2 C 13 21.7 . . 1 . . . . . . . . 4661 1 742 . 1 1 84 84 ALA N N 15 119.6 . . 1 . . . . . . . . 4661 1 743 . 1 1 84 84 ALA H H 1 8.18 . . 1 . . . . . . . . 4661 1 744 . 1 1 84 84 ALA CA C 13 55.1 . . 1 . . . . . . . . 4661 1 745 . 1 1 84 84 ALA HA H 1 3.67 . . 1 . . . . . . . . 4661 1 746 . 1 1 84 84 ALA HB1 H 1 0.98 . . 1 . . . . . . . . 4661 1 747 . 1 1 84 84 ALA HB2 H 1 0.98 . . 1 . . . . . . . . 4661 1 748 . 1 1 84 84 ALA HB3 H 1 0.98 . . 1 . . . . . . . . 4661 1 749 . 1 1 84 84 ALA CB C 13 17.0 . . 1 . . . . . . . . 4661 1 750 . 1 1 85 85 ALA N N 15 117.8 . . 1 . . . . . . . . 4661 1 751 . 1 1 85 85 ALA H H 1 7.57 . . 1 . . . . . . . . 4661 1 752 . 1 1 85 85 ALA CA C 13 54.7 . . 1 . . . . . . . . 4661 1 753 . 1 1 85 85 ALA HA H 1 4.11 . . 1 . . . . . . . . 4661 1 754 . 1 1 85 85 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4661 1 755 . 1 1 85 85 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4661 1 756 . 1 1 85 85 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4661 1 757 . 1 1 85 85 ALA CB C 13 17.5 . . 1 . . . . . . . . 4661 1 758 . 1 1 86 86 LEU N N 15 116.7 . . 1 . . . . . . . . 4661 1 759 . 1 1 86 86 LEU H H 1 7.17 . . 1 . . . . . . . . 4661 1 760 . 1 1 86 86 LEU CA C 13 56.7 . . 1 . . . . . . . . 4661 1 761 . 1 1 86 86 LEU HA H 1 3.79 . . 1 . . . . . . . . 4661 1 762 . 1 1 86 86 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 4661 1 763 . 1 1 86 86 LEU HB3 H 1 1.76 . . 2 . . . . . . . . 4661 1 764 . 1 1 86 86 LEU HG H 1 0.12 . . 1 . . . . . . . . 4661 1 765 . 1 1 86 86 LEU HD11 H 1 0.59 . . 2 . . . . . . . . 4661 1 766 . 1 1 86 86 LEU HD12 H 1 0.59 . . 2 . . . . . . . . 4661 1 767 . 1 1 86 86 LEU HD13 H 1 0.59 . . 2 . . . . . . . . 4661 1 768 . 1 1 86 86 LEU HD21 H 1 0.48 . . 2 . . . . . . . . 4661 1 769 . 1 1 86 86 LEU HD22 H 1 0.48 . . 2 . . . . . . . . 4661 1 770 . 1 1 86 86 LEU HD23 H 1 0.48 . . 2 . . . . . . . . 4661 1 771 . 1 1 86 86 LEU CD1 C 13 24.7 . . 1 . . . . . . . . 4661 1 772 . 1 1 86 86 LEU CD2 C 13 20.7 . . 1 . . . . . . . . 4661 1 773 . 1 1 87 87 LEU N N 15 114.1 . . 1 . . . . . . . . 4661 1 774 . 1 1 87 87 LEU H H 1 7.29 . . 1 . . . . . . . . 4661 1 775 . 1 1 87 87 LEU CA C 13 54.7 . . 1 . . . . . . . . 4661 1 776 . 1 1 87 87 LEU HA H 1 4.63 . . 1 . . . . . . . . 4661 1 777 . 1 1 87 87 LEU HB2 H 1 1.86 . . 1 . . . . . . . . 4661 1 778 . 1 1 87 87 LEU HB3 H 1 1.86 . . 1 . . . . . . . . 4661 1 779 . 1 1 87 87 LEU HG H 1 1.60 . . 1 . . . . . . . . 4661 1 780 . 1 1 87 87 LEU HD11 H 1 0.63 . . 2 . . . . . . . . 4661 1 781 . 1 1 87 87 LEU HD12 H 1 0.63 . . 2 . . . . . . . . 4661 1 782 . 1 1 87 87 LEU HD13 H 1 0.63 . . 2 . . . . . . . . 4661 1 783 . 1 1 87 87 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4661 1 784 . 1 1 87 87 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4661 1 785 . 1 1 87 87 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4661 1 786 . 1 1 87 87 LEU CD1 C 13 25.7 . . 1 . . . . . . . . 4661 1 787 . 1 1 87 87 LEU CD2 C 13 22.5 . . 1 . . . . . . . . 4661 1 788 . 1 1 88 88 HIS N N 15 122.4 . . 1 . . . . . . . . 4661 1 789 . 1 1 88 88 HIS H H 1 8.12 . . 1 . . . . . . . . 4661 1 790 . 1 1 88 88 HIS CA C 13 60.0 . . 1 . . . . . . . . 4661 1 791 . 1 1 88 88 HIS HA H 1 3.69 . . 1 . . . . . . . . 4661 1 792 . 1 1 88 88 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 4661 1 793 . 1 1 88 88 HIS HB3 H 1 3.42 . . 2 . . . . . . . . 4661 1 794 . 1 1 88 88 HIS HD2 H 1 6.99 . . 1 . . . . . . . . 4661 1 795 . 1 1 89 89 ASP N N 15 116.7 . . 1 . . . . . . . . 4661 1 796 . 1 1 89 89 ASP H H 1 8.28 . . 1 . . . . . . . . 4661 1 797 . 1 1 89 89 ASP CA C 13 56.5 . . 1 . . . . . . . . 4661 1 798 . 1 1 89 89 ASP HA H 1 4.28 . . 1 . . . . . . . . 4661 1 799 . 1 1 89 89 ASP HB2 H 1 2.59 . . 1 . . . . . . . . 4661 1 800 . 1 1 89 89 ASP HB3 H 1 2.59 . . 1 . . . . . . . . 4661 1 801 . 1 1 90 90 GLY N N 15 104.6 . . 1 . . . . . . . . 4661 1 802 . 1 1 90 90 GLY H H 1 7.47 . . 1 . . . . . . . . 4661 1 803 . 1 1 90 90 GLY CA C 13 44.2 . . 1 . . . . . . . . 4661 1 804 . 1 1 90 90 GLY HA2 H 1 3.42 . . 2 . . . . . . . . 4661 1 805 . 1 1 90 90 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 4661 1 806 . 1 1 91 91 ILE N N 15 120.0 . . 1 . . . . . . . . 4661 1 807 . 1 1 91 91 ILE H H 1 6.89 . . 1 . . . . . . . . 4661 1 808 . 1 1 91 91 ILE CA C 13 59.0 . . 1 . . . . . . . . 4661 1 809 . 1 1 91 91 ILE HA H 1 3.72 . . 1 . . . . . . . . 4661 1 810 . 1 1 91 91 ILE HB H 1 1.43 . . 1 . . . . . . . . 4661 1 811 . 1 1 91 91 ILE HG21 H 1 0.60 . . 1 . . . . . . . . 4661 1 812 . 1 1 91 91 ILE HG22 H 1 0.60 . . 1 . . . . . . . . 4661 1 813 . 1 1 91 91 ILE HG23 H 1 0.60 . . 1 . . . . . . . . 4661 1 814 . 1 1 91 91 ILE CG2 C 13 15.3 . . 1 . . . . . . . . 4661 1 815 . 1 1 91 91 ILE CG1 C 13 28.2 . . 1 . . . . . . . . 4661 1 816 . 1 1 91 91 ILE HG12 H 1 0.74 . . 2 . . . . . . . . 4661 1 817 . 1 1 91 91 ILE HG13 H 1 1.16 . . 2 . . . . . . . . 4661 1 818 . 1 1 91 91 ILE HD11 H 1 0.04 . . 1 . . . . . . . . 4661 1 819 . 1 1 91 91 ILE HD12 H 1 0.04 . . 1 . . . . . . . . 4661 1 820 . 1 1 91 91 ILE HD13 H 1 0.04 . . 1 . . . . . . . . 4661 1 821 . 1 1 91 91 ILE CD1 C 13 12.0 . . 1 . . . . . . . . 4661 1 822 . 1 1 92 92 PRO HG2 H 1 2.53 . . 1 . . . . . . . . 4661 1 823 . 1 1 92 92 PRO HG3 H 1 2.53 . . 1 . . . . . . . . 4661 1 824 . 1 1 92 92 PRO HD2 H 1 3.25 . . 1 . . . . . . . . 4661 1 825 . 1 1 92 92 PRO HD3 H 1 3.25 . . 1 . . . . . . . . 4661 1 826 . 1 1 93 93 VAL N N 15 120.9 . . 1 . . . . . . . . 4661 1 827 . 1 1 93 93 VAL H H 1 8.07 . . 1 . . . . . . . . 4661 1 828 . 1 1 93 93 VAL CA C 13 62.0 . . 1 . . . . . . . . 4661 1 829 . 1 1 93 93 VAL HA H 1 3.94 . . 1 . . . . . . . . 4661 1 830 . 1 1 93 93 VAL HB H 1 1.91 . . 1 . . . . . . . . 4661 1 831 . 1 1 93 93 VAL HG11 H 1 0.80 . . 1 . . . . . . . . 4661 1 832 . 1 1 93 93 VAL HG12 H 1 0.80 . . 1 . . . . . . . . 4661 1 833 . 1 1 93 93 VAL HG13 H 1 0.80 . . 1 . . . . . . . . 4661 1 834 . 1 1 93 93 VAL HG21 H 1 0.80 . . 1 . . . . . . . . 4661 1 835 . 1 1 93 93 VAL HG22 H 1 0.80 . . 1 . . . . . . . . 4661 1 836 . 1 1 93 93 VAL HG23 H 1 0.80 . . 1 . . . . . . . . 4661 1 837 . 1 1 94 94 VAL N N 15 124.1 . . 1 . . . . . . . . 4661 1 838 . 1 1 94 94 VAL H H 1 8.16 . . 1 . . . . . . . . 4661 1 839 . 1 1 94 94 VAL CA C 13 61.7 . . 1 . . . . . . . . 4661 1 840 . 1 1 94 94 VAL HA H 1 4.09 . . 1 . . . . . . . . 4661 1 841 . 1 1 94 94 VAL HB H 1 2.00 . . 1 . . . . . . . . 4661 1 842 . 1 1 94 94 VAL HG11 H 1 0.82 . . 1 . . . . . . . . 4661 1 843 . 1 1 94 94 VAL HG12 H 1 0.82 . . 1 . . . . . . . . 4661 1 844 . 1 1 94 94 VAL HG13 H 1 0.82 . . 1 . . . . . . . . 4661 1 845 . 1 1 94 94 VAL HG21 H 1 0.82 . . 1 . . . . . . . . 4661 1 846 . 1 1 94 94 VAL HG22 H 1 0.82 . . 1 . . . . . . . . 4661 1 847 . 1 1 94 94 VAL HG23 H 1 0.82 . . 1 . . . . . . . . 4661 1 848 . 1 1 95 95 SER N N 15 119.8 . . 1 . . . . . . . . 4661 1 849 . 1 1 95 95 SER H H 1 8.42 . . 1 . . . . . . . . 4661 1 850 . 1 1 95 95 SER CA C 13 57.5 . . 1 . . . . . . . . 4661 1 851 . 1 1 95 95 SER HA H 1 4.44 . . 1 . . . . . . . . 4661 1 852 . 1 1 95 95 SER HB2 H 1 3.78 . . 1 . . . . . . . . 4661 1 853 . 1 1 95 95 SER HB3 H 1 3.78 . . 1 . . . . . . . . 4661 1 854 . 1 1 96 96 SER N N 15 122.8 . . 1 . . . . . . . . 4661 1 855 . 1 1 96 96 SER H H 1 7.97 . . 1 . . . . . . . . 4661 1 856 . 1 1 96 96 SER HA H 1 4.19 . . 1 . . . . . . . . 4661 1 857 . 1 1 96 96 SER HB2 H 1 3.79 . . 1 . . . . . . . . 4661 1 858 . 1 1 96 96 SER HB3 H 1 3.79 . . 1 . . . . . . . . 4661 1 stop_ save_