data_30285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30285 _Entry.Title ; Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-21 _Entry.Accession_date 2017-04-21 _Entry.Last_release_date 2017-05-16 _Entry.Original_release_date 2017-05-16 _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 . 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 Madeleine Strickland . . . . 30285 2 Lorna Ehrlich . S. . . 30285 3 Susan Watanabe . . . . 30285 4 Mahfuz Khan . . . . 30285 5 Marie-Paule Strub . . . . 30285 6 Chi-Hao Luan . . . . 30285 7 Michael Powell . D. . . 30285 8 Jonathan Leis . . . . 30285 9 Nico Tjandra . . . . 30285 10 Carol Carter . . . . 30285 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ESCRT-I . 30285 'cell cycle' . 30285 inhibitor . 30285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 521 30285 '15N chemical shifts' 143 30285 '1H chemical shifts' 1078 30285 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-20 2017-04-21 update BMRB 'update entry citation' 30285 1 . . 2017-11-10 2017-04-21 original author 'original release' 30285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VKG 'BMRB Entry Tracking System' 30285 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30285 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-017-01426-2 _Citation.PubMed_ID 29123089 _Citation.Full_citation . _Citation.Title ; Tsg101 chaperone function revealed by HIV-1 assembly inhibitors. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1391 _Citation.Page_last 1391 _Citation.Year 2017 _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 Madeleine Strickland . . . . 30285 1 2 Lorna Ehrlich . S. . . 30285 1 3 Susan Watanabe . . . . 30285 1 4 Mahfuz Khan . . . . 30285 1 5 Marie-Paule Strub . . . . 30285 1 6 Chi-Hao Luan . . . . 30285 1 7 Michael Powell . D. . . 30285 1 8 Jonathan Leis . . . . 30285 1 9 Nico Tjandra . . . . 30285 1 10 Carol Carter . . . . 30285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30285 _Assembly.ID 1 _Assembly.Name 'human Tsg101 UEV in complex with tenatoprazole' _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 'disulfide bound and free' _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 . . . . . . 30285 1 2 entity_2 2 $entity_4N1 B A no . . . . . . 30285 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 73 73 SG . 2 . 2 4N1 1 1 S20 . . . . . . . . . . . . 30285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30285 _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 ; GAVSESQLKKMVSKYKYRDL TVRETVNVITLYKDLKPVLD SYVFNDGSSRELMNLTGTIP VPYRGNTYNIPICLWLLDTY PYNPPICFVKPTSSMTIKTG KHVDANGKIYLPYLHEWKHP QSDLLGLIQVMIVVFGDEPP VFSRP ; _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation M1G _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16559.207 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first residue is mutated from methionine to glycine due to the fact that it was produced with a N-terminal polyhistidine tag, which was cleaved using tobacco etch virus protease, leaving a non-natural glycine residue. ; _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 'ESCRT-I complex subunit TSG101' na 30285 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 . GLY . 30285 1 2 . ALA . 30285 1 3 . VAL . 30285 1 4 . SER . 30285 1 5 . GLU . 30285 1 6 . SER . 30285 1 7 . GLN . 30285 1 8 . LEU . 30285 1 9 . LYS . 30285 1 10 . LYS . 30285 1 11 . MET . 30285 1 12 . VAL . 30285 1 13 . SER . 30285 1 14 . LYS . 30285 1 15 . TYR . 30285 1 16 . LYS . 30285 1 17 . TYR . 30285 1 18 . ARG . 30285 1 19 . ASP . 30285 1 20 . LEU . 30285 1 21 . THR . 30285 1 22 . VAL . 30285 1 23 . ARG . 30285 1 24 . GLU . 30285 1 25 . THR . 30285 1 26 . VAL . 30285 1 27 . ASN . 30285 1 28 . VAL . 30285 1 29 . ILE . 30285 1 30 . THR . 30285 1 31 . LEU . 30285 1 32 . TYR . 30285 1 33 . LYS . 30285 1 34 . ASP . 30285 1 35 . LEU . 30285 1 36 . LYS . 30285 1 37 . PRO . 30285 1 38 . VAL . 30285 1 39 . LEU . 30285 1 40 . ASP . 30285 1 41 . SER . 30285 1 42 . TYR . 30285 1 43 . VAL . 30285 1 44 . PHE . 30285 1 45 . ASN . 30285 1 46 . ASP . 30285 1 47 . GLY . 30285 1 48 . SER . 30285 1 49 . SER . 30285 1 50 . ARG . 30285 1 51 . GLU . 30285 1 52 . LEU . 30285 1 53 . MET . 30285 1 54 . ASN . 30285 1 55 . LEU . 30285 1 56 . THR . 30285 1 57 . GLY . 30285 1 58 . THR . 30285 1 59 . ILE . 30285 1 60 . PRO . 30285 1 61 . VAL . 30285 1 62 . PRO . 30285 1 63 . TYR . 30285 1 64 . ARG . 30285 1 65 . GLY . 30285 1 66 . ASN . 30285 1 67 . THR . 30285 1 68 . TYR . 30285 1 69 . ASN . 30285 1 70 . ILE . 30285 1 71 . PRO . 30285 1 72 . ILE . 30285 1 73 . CYS . 30285 1 74 . LEU . 30285 1 75 . TRP . 30285 1 76 . LEU . 30285 1 77 . LEU . 30285 1 78 . ASP . 30285 1 79 . THR . 30285 1 80 . TYR . 30285 1 81 . PRO . 30285 1 82 . TYR . 30285 1 83 . ASN . 30285 1 84 . PRO . 30285 1 85 . PRO . 30285 1 86 . ILE . 30285 1 87 . CYS . 30285 1 88 . PHE . 30285 1 89 . VAL . 30285 1 90 . LYS . 30285 1 91 . PRO . 30285 1 92 . THR . 30285 1 93 . SER . 30285 1 94 . SER . 30285 1 95 . MET . 30285 1 96 . THR . 30285 1 97 . ILE . 30285 1 98 . LYS . 30285 1 99 . THR . 30285 1 100 . GLY . 30285 1 101 . LYS . 30285 1 102 . HIS . 30285 1 103 . VAL . 30285 1 104 . ASP . 30285 1 105 . ALA . 30285 1 106 . ASN . 30285 1 107 . GLY . 30285 1 108 . LYS . 30285 1 109 . ILE . 30285 1 110 . TYR . 30285 1 111 . LEU . 30285 1 112 . PRO . 30285 1 113 . TYR . 30285 1 114 . LEU . 30285 1 115 . HIS . 30285 1 116 . GLU . 30285 1 117 . TRP . 30285 1 118 . LYS . 30285 1 119 . HIS . 30285 1 120 . PRO . 30285 1 121 . GLN . 30285 1 122 . SER . 30285 1 123 . ASP . 30285 1 124 . LEU . 30285 1 125 . LEU . 30285 1 126 . GLY . 30285 1 127 . LEU . 30285 1 128 . ILE . 30285 1 129 . GLN . 30285 1 130 . VAL . 30285 1 131 . MET . 30285 1 132 . ILE . 30285 1 133 . VAL . 30285 1 134 . VAL . 30285 1 135 . PHE . 30285 1 136 . GLY . 30285 1 137 . ASP . 30285 1 138 . GLU . 30285 1 139 . PRO . 30285 1 140 . PRO . 30285 1 141 . VAL . 30285 1 142 . PHE . 30285 1 143 . SER . 30285 1 144 . ARG . 30285 1 145 . PRO . 30285 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 . GLY 1 1 30285 1 . ALA 2 2 30285 1 . VAL 3 3 30285 1 . SER 4 4 30285 1 . GLU 5 5 30285 1 . SER 6 6 30285 1 . GLN 7 7 30285 1 . LEU 8 8 30285 1 . LYS 9 9 30285 1 . LYS 10 10 30285 1 . MET 11 11 30285 1 . VAL 12 12 30285 1 . SER 13 13 30285 1 . LYS 14 14 30285 1 . TYR 15 15 30285 1 . LYS 16 16 30285 1 . TYR 17 17 30285 1 . ARG 18 18 30285 1 . ASP 19 19 30285 1 . LEU 20 20 30285 1 . THR 21 21 30285 1 . VAL 22 22 30285 1 . ARG 23 23 30285 1 . GLU 24 24 30285 1 . THR 25 25 30285 1 . VAL 26 26 30285 1 . ASN 27 27 30285 1 . VAL 28 28 30285 1 . ILE 29 29 30285 1 . THR 30 30 30285 1 . LEU 31 31 30285 1 . TYR 32 32 30285 1 . LYS 33 33 30285 1 . ASP 34 34 30285 1 . LEU 35 35 30285 1 . LYS 36 36 30285 1 . PRO 37 37 30285 1 . VAL 38 38 30285 1 . LEU 39 39 30285 1 . ASP 40 40 30285 1 . SER 41 41 30285 1 . TYR 42 42 30285 1 . VAL 43 43 30285 1 . PHE 44 44 30285 1 . ASN 45 45 30285 1 . ASP 46 46 30285 1 . GLY 47 47 30285 1 . SER 48 48 30285 1 . SER 49 49 30285 1 . ARG 50 50 30285 1 . GLU 51 51 30285 1 . LEU 52 52 30285 1 . MET 53 53 30285 1 . ASN 54 54 30285 1 . LEU 55 55 30285 1 . THR 56 56 30285 1 . GLY 57 57 30285 1 . THR 58 58 30285 1 . ILE 59 59 30285 1 . PRO 60 60 30285 1 . VAL 61 61 30285 1 . PRO 62 62 30285 1 . TYR 63 63 30285 1 . ARG 64 64 30285 1 . GLY 65 65 30285 1 . ASN 66 66 30285 1 . THR 67 67 30285 1 . TYR 68 68 30285 1 . ASN 69 69 30285 1 . ILE 70 70 30285 1 . PRO 71 71 30285 1 . ILE 72 72 30285 1 . CYS 73 73 30285 1 . LEU 74 74 30285 1 . TRP 75 75 30285 1 . LEU 76 76 30285 1 . LEU 77 77 30285 1 . ASP 78 78 30285 1 . THR 79 79 30285 1 . TYR 80 80 30285 1 . PRO 81 81 30285 1 . TYR 82 82 30285 1 . ASN 83 83 30285 1 . PRO 84 84 30285 1 . PRO 85 85 30285 1 . ILE 86 86 30285 1 . CYS 87 87 30285 1 . PHE 88 88 30285 1 . VAL 89 89 30285 1 . LYS 90 90 30285 1 . PRO 91 91 30285 1 . THR 92 92 30285 1 . SER 93 93 30285 1 . SER 94 94 30285 1 . MET 95 95 30285 1 . THR 96 96 30285 1 . ILE 97 97 30285 1 . LYS 98 98 30285 1 . THR 99 99 30285 1 . GLY 100 100 30285 1 . LYS 101 101 30285 1 . HIS 102 102 30285 1 . VAL 103 103 30285 1 . ASP 104 104 30285 1 . ALA 105 105 30285 1 . ASN 106 106 30285 1 . GLY 107 107 30285 1 . LYS 108 108 30285 1 . ILE 109 109 30285 1 . TYR 110 110 30285 1 . LEU 111 111 30285 1 . PRO 112 112 30285 1 . TYR 113 113 30285 1 . LEU 114 114 30285 1 . HIS 115 115 30285 1 . GLU 116 116 30285 1 . TRP 117 117 30285 1 . LYS 118 118 30285 1 . HIS 119 119 30285 1 . PRO 120 120 30285 1 . GLN 121 121 30285 1 . SER 122 122 30285 1 . ASP 123 123 30285 1 . LEU 124 124 30285 1 . LEU 125 125 30285 1 . GLY 126 126 30285 1 . LEU 127 127 30285 1 . ILE 128 128 30285 1 . GLN 129 129 30285 1 . VAL 130 130 30285 1 . MET 131 131 30285 1 . ILE 132 132 30285 1 . VAL 133 133 30285 1 . VAL 134 134 30285 1 . PHE 135 135 30285 1 . GLY 136 136 30285 1 . ASP 137 137 30285 1 . GLU 138 138 30285 1 . PRO 139 139 30285 1 . PRO 140 140 30285 1 . VAL 141 141 30285 1 . PHE 142 142 30285 1 . SER 143 143 30285 1 . ARG 144 144 30285 1 . PRO 145 145 30285 1 stop_ save_ save_entity_4N1 _Entity.Sf_category entity _Entity.Sf_framecode entity_4N1 _Entity.Entry_ID 30285 _Entity.ID 2 _Entity.BMRB_code 4N1 _Entity.Name entity_4N1 _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 4N1 _Entity.Nonpolymer_comp_label $chem_comp_4N1 _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 331.413 _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 ; 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium ; BMRB 30285 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ; 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium ; BMRB 30285 2 4N1 'Three letter code' 30285 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 4N1 $chem_comp_4N1 30285 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 30285 _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 . . . . . . . . . . . TSG101 . 30285 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 30285 _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 'Rosetta 2 (DE3)' . . . . . pET-28B . . . 30285 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_4N1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_4N1 _Chem_comp.Entry_ID 30285 _Chem_comp.ID 4N1 _Chem_comp.Provenance PDB _Chem_comp.Name ; 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium ; _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 4N1 _Chem_comp.PDB_code 4N1 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2016-04-02 _Chem_comp.Modified_date 2016-04-02 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 4N1 _Chem_comp.Number_atoms_all 42 _Chem_comp.Number_atoms_nh 23 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1 ; _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C16 H19 N4 O2 S' _Chem_comp.Formula_weight 331.413 _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 2NB3 _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 COc1ccc2nc([nH]c2n1)[n+]3cc(C)c(OC)c(C)c3CS SMILES CACTVS 3.385 30285 4N1 COc1ccc2nc([nH]c2n1)[n+]3cc(C)c(OC)c(C)c3CS SMILES_CANONICAL CACTVS 3.385 30285 4N1 Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC SMILES 'OpenEye OEToolkits' 1.7.6 30285 4N1 Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 30285 4N1 IOWWPLTUCPQFIL-UHFFFAOYSA-O InChIKey InChI 1.03 30285 4N1 ; InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1 ; InChI InChI 1.03 30285 4N1 c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS SMILES ACDLabs 12.01 30285 4N1 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 ; 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium ; 'SYSTEMATIC NAME' ACDLabs 12.01 30285 4N1 ; [4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]methanethiol ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 30285 4N1 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 C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . -23.879 . 44.049 . -33.474 . -4.801 0.211 -0.008 1 . 30285 4N1 O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -24.044 . 45.280 . -33.966 . -6.055 0.724 -0.085 2 . 30285 4N1 N2 N2 N2 N2 . N . . N 0 . . . 1 yes no . . . . -25.038 . 43.438 . -33.217 . -3.764 1.029 -0.027 3 . 30285 4N1 C3 C3 C3 C3 . C . . N 0 . . . 1 yes no . . . . -24.910 . 42.229 . -32.709 . -2.523 0.571 0.046 4 . 30285 4N1 C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -23.725 . 41.523 . -32.421 . -2.281 -0.811 0.148 5 . 30285 4N1 C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -22.515 . 42.183 . -32.695 . -3.369 -1.692 0.170 6 . 30285 4N1 C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -22.605 . 43.466 . -33.228 . -4.633 -1.167 0.097 7 . 30285 4N1 N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . -25.940 . 41.376 . -32.345 . -1.284 1.176 0.049 8 . 30285 4N1 C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -25.332 . 40.232 . -31.883 . -0.345 0.184 0.148 9 . 30285 4N1 N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . -24.024 . 40.268 . -31.894 . -0.938 -0.983 0.206 10 . 30285 4N1 C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -25.238 . 45.999 . -33.663 . -6.169 2.145 -0.185 11 . 30285 4N1 N11 N11 N11 N11 . N . . N 1 . . . 1 yes no . . . . -26.125 . 39.186 . -31.309 . 1.012 0.383 0.182 12 . 30285 4N1 C12 C12 C12 C12 . C . . N 0 . . . 1 yes no . . . . -26.062 . 37.861 . -31.714 . 1.811 -0.648 0.436 13 . 30285 4N1 C13 C13 C13 C13 . C . . N 0 . . . 1 yes no . . . . -26.894 . 36.935 . -31.074 . 3.178 -0.486 0.477 14 . 30285 4N1 C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . -27.805 . 37.363 . -30.076 . 3.720 0.778 0.249 15 . 30285 4N1 O14 O14 O14 O14 . O . . N 0 . . . 1 no no . . . . -28.577 . 36.395 . -29.582 . 5.062 0.975 0.282 16 . 30285 4N1 C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . -27.806 . 38.715 . -29.639 . 2.850 1.837 -0.014 17 . 30285 4N1 C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . -26.952 . 39.568 . -30.288 . 1.495 1.600 -0.045 18 . 30285 4N1 C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -25.117 . 37.466 . -32.825 . 1.215 -2.010 0.681 19 . 30285 4N1 C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -26.849 . 35.478 . -31.449 . 4.077 -1.660 0.766 20 . 30285 4N1 C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -28.580 . 39.250 . -28.453 . 3.389 3.221 -0.266 21 . 30285 4N1 S20 S20 S20 S20 . S . . N 0 . . . 1 no no . . . . -25.972 . 36.659 . -34.264 . 0.890 -2.823 -0.908 22 . 30285 4N1 C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . -28.155 . 35.429 . -28.597 . 5.771 0.815 -0.948 23 . 30285 4N1 H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -21.560 . 41.717 . -32.501 . -3.217 -2.758 0.248 24 . 30285 4N1 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -21.706 . 44.020 . -33.455 . -5.493 -1.820 0.115 25 . 30285 4N1 H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -26.922 . 41.555 . -32.406 . -1.110 2.129 -0.010 26 . 30285 4N1 H101 H101 H101 H101 . H . . N 0 . . . 0 no no . . . . -25.205 . 46.986 . -34.147 . -5.717 2.609 0.692 27 . 30285 4N1 H102 H102 H102 H102 . H . . N 0 . . . 0 no no . . . . -26.108 . 45.438 . -34.035 . -5.656 2.489 -1.083 28 . 30285 4N1 H103 H103 H103 H103 . H . . N 0 . . . 0 no no . . . . -25.322 . 46.127 . -32.574 . -7.222 2.422 -0.239 29 . 30285 4N1 H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . -26.930 . 40.602 . -29.975 . 0.815 2.413 -0.253 30 . 30285 4N1 H171 H171 H171 H171 . H . . N 0 . . . 0 no no . . . . -24.604 . 38.370 . -33.186 . 1.913 -2.613 1.262 31 . 30285 4N1 H181 H181 H181 H181 . H . . N 0 . . . 0 no no . . . . -26.112 . 34.959 . -30.818 . 4.349 -2.149 -0.170 32 . 30285 4N1 H182 H182 H182 H182 . H . . N 0 . . . 0 no no . . . . -27.842 . 35.030 . -31.298 . 4.979 -1.312 1.270 33 . 30285 4N1 H183 H183 H183 H183 . H . . N 0 . . . 0 no no . . . . -26.560 . 35.380 . -32.506 . 3.554 -2.369 1.407 34 . 30285 4N1 H191 H191 H191 H191 . H . . N 0 . . . 0 no no . . . . -27.981 . 39.129 . -27.539 . 3.573 3.350 -1.333 35 . 30285 4N1 H192 H192 H192 H192 . H . . N 0 . . . 0 no no . . . . -28.799 . 40.317 . -28.609 . 2.661 3.961 0.068 36 . 30285 4N1 H193 H193 H193 H193 . H . . N 0 . . . 0 no no . . . . -29.523 . 38.693 . -28.349 . 4.321 3.355 0.282 37 . 30285 4N1 H211 H211 H211 H211 . H . . N 0 . . . 0 no no . . . . -28.989 . 34.748 . -28.370 . 6.832 0.999 -0.782 38 . 30285 4N1 H212 H212 H212 H212 . H . . N 0 . . . 0 no no . . . . -27.306 . 34.850 . -28.991 . 5.633 -0.201 -1.318 39 . 30285 4N1 H213 H213 H213 H213 . H . . N 0 . . . 0 no no . . . . -27.848 . 35.952 . -27.679 . 5.389 1.524 -1.682 40 . 30285 4N1 H172 H172 H172 H172 . H . . N 0 . . . 0 no no . . . . -24.376 . 36.762 . -32.419 . 0.281 -1.904 1.232 41 . 30285 4N1 H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -24.979 . 36.417 . -35.067 . 0.369 -4.008 -0.540 42 . 30285 4N1 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 C1 O1 no N 1 . 30285 4N1 2 . DOUB C1 N2 yes N 2 . 30285 4N1 3 . SING C1 C6 yes N 3 . 30285 4N1 4 . SING O1 C10 no N 4 . 30285 4N1 5 . SING N2 C3 yes N 5 . 30285 4N1 6 . DOUB C3 C4 yes N 6 . 30285 4N1 7 . SING C3 N7 yes N 7 . 30285 4N1 8 . SING C4 C5 yes N 8 . 30285 4N1 9 . SING C4 N9 yes N 9 . 30285 4N1 10 . DOUB C5 C6 yes N 10 . 30285 4N1 11 . SING N7 C8 yes N 11 . 30285 4N1 12 . DOUB C8 N9 yes N 12 . 30285 4N1 13 . SING C8 N11 no N 13 . 30285 4N1 14 . DOUB N11 C12 yes N 14 . 30285 4N1 15 . SING N11 C16 yes N 15 . 30285 4N1 16 . SING C12 C13 yes N 16 . 30285 4N1 17 . SING C12 C17 no N 17 . 30285 4N1 18 . DOUB C13 C14 yes N 18 . 30285 4N1 19 . SING C13 C18 no N 19 . 30285 4N1 20 . SING C14 O14 no N 20 . 30285 4N1 21 . SING C14 C15 yes N 21 . 30285 4N1 22 . SING O14 C21 no N 22 . 30285 4N1 23 . DOUB C15 C16 yes N 23 . 30285 4N1 24 . SING C15 C19 no N 24 . 30285 4N1 25 . SING C17 S20 no N 25 . 30285 4N1 26 . SING C5 H5 no N 26 . 30285 4N1 27 . SING C6 H6 no N 27 . 30285 4N1 28 . SING N7 H7 no N 28 . 30285 4N1 29 . SING C10 H101 no N 29 . 30285 4N1 30 . SING C10 H102 no N 30 . 30285 4N1 31 . SING C10 H103 no N 31 . 30285 4N1 32 . SING C16 H16 no N 32 . 30285 4N1 33 . SING C17 H171 no N 33 . 30285 4N1 34 . SING C18 H181 no N 34 . 30285 4N1 35 . SING C18 H182 no N 35 . 30285 4N1 36 . SING C18 H183 no N 36 . 30285 4N1 37 . SING C19 H191 no N 37 . 30285 4N1 38 . SING C19 H192 no N 38 . 30285 4N1 39 . SING C19 H193 no N 39 . 30285 4N1 40 . SING C21 H211 no N 40 . 30285 4N1 41 . SING C21 H212 no N 41 . 30285 4N1 42 . SING C21 H213 no N 42 . 30285 4N1 43 . SING C17 H172 no N 43 . 30285 4N1 44 . SING S20 H1 no N 44 . 30285 4N1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30285 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Tenatoprazole 'natural abundance' . . . . . . 0.6 . . mM . . . . 30285 2 2 Tsg101 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30285 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30285 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30285 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30285 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Tenatoprazole 'natural abundance' . . . . . . 0.6 . . mM . . . . 30285 1 2 Tsg101 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30285 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30285 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30285 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30285 _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' 0.1 . M 30285 1 pH 5.8 . pH 30285 1 pressure 1 . atm 30285 1 temperature 300 . K 30285 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30285 _Sample_condition_list.ID 2 _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' 0.1 . mM 30285 2 pH 5.8 . pH* 30285 2 pressure 1 . atm 30285 2 temperature 300 . K 30285 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30285 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30285 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30285 1 'data analysis' 30285 1 'peak picking' 30285 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30285 _Software.ID 2 _Software.Type . _Software.Name Gaussian _Software.Version 9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Gaussian, Inc.' . . 30285 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30285 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30285 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version 8.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30285 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30285 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30285 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 8.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30285 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30285 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30285 _Software.ID 5 _Software.Type . _Software.Name PSVS _Software.Version 1.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30285 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30285 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30285 _Software.ID 6 _Software.Type . _Software.Name TALOS-N _Software.Version 4.12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen and Ad Bax' . . 30285 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30285 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30285 _Software.ID 7 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30285 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30285 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30285 _Software.ID 8 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.37.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30285 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30285 8 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 30285 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 30285 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30285 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30285 _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 . 600 . . . 30285 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30285 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 30285 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 30285 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30285 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30285 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30285 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30285 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30285 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30285 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30285 1 8 '3D 1H-13C-12C filtered NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30285 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30285 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30285 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 30285 _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 . . . . . 30285 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30285 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30285 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 30285 _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 0.011 _Assigned_chem_shift_list.Chem_shift_13C_err 0.051 _Assigned_chem_shift_list.Chem_shift_15N_err 0.054 _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 "Average standard deviation of each isotope's chemical shifts." _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' . . . 30285 1 2 '2D 1H-13C HSQC aliphatic' . . . 30285 1 3 '3D HNCACB' . . . 30285 1 4 '3D H(CCO)NH' . . . 30285 1 5 '3D 1H-15N NOESY' . . . 30285 1 6 '3D 1H-13C NOESY aliphatic' . . . 30285 1 7 '3D 1H-13C NOESY aromatic' . . . 30285 1 8 '3D 1H-13C-12C filtered NOESY aliphatic' . . . 30285 1 9 '3D CBCA(CO)NH' . . . 30285 1 10 '3D C(CO)NH' . . . 30285 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 1 1 GLY HA2 H 1 3.816 0.011 . 1 . . . . . 1 GLY HA2 . 30285 1 2 . 1 1 1 1 GLY HA3 H 1 3.816 0.011 . 1 . . . . . 1 GLY HA3 . 30285 1 3 . 1 1 1 1 GLY CA C 13 43.219 0.051 . 1 . . . . . 1 GLY CA . 30285 1 4 . 1 1 2 2 ALA H H 1 8.595 0.011 . 1 . . . . . 2 ALA H . 30285 1 5 . 1 1 2 2 ALA HA H 1 4.371 0.011 . 1 . . . . . 2 ALA HA . 30285 1 6 . 1 1 2 2 ALA HB1 H 1 1.358 0.011 . 1 . . . . . 2 ALA HB1 . 30285 1 7 . 1 1 2 2 ALA HB2 H 1 1.358 0.011 . 1 . . . . . 2 ALA HB2 . 30285 1 8 . 1 1 2 2 ALA HB3 H 1 1.358 0.011 . 1 . . . . . 2 ALA HB3 . 30285 1 9 . 1 1 2 2 ALA CA C 13 52.429 0.051 . 1 . . . . . 2 ALA CA . 30285 1 10 . 1 1 2 2 ALA CB C 13 19.558 0.051 . 1 . . . . . 2 ALA CB . 30285 1 11 . 1 1 2 2 ALA N N 15 123.728 0.054 . 1 . . . . . 2 ALA N . 30285 1 12 . 1 1 3 3 VAL H H 1 8.123 0.011 . 1 . . . . . 3 VAL H . 30285 1 13 . 1 1 3 3 VAL HA H 1 4.146 0.011 . 1 . . . . . 3 VAL HA . 30285 1 14 . 1 1 3 3 VAL HB H 1 1.899 0.011 . 1 . . . . . 3 VAL HB . 30285 1 15 . 1 1 3 3 VAL HG11 H 1 0.893 0.011 . 1 . . . . . 3 VAL HG11 . 30285 1 16 . 1 1 3 3 VAL HG12 H 1 0.893 0.011 . 1 . . . . . 3 VAL HG12 . 30285 1 17 . 1 1 3 3 VAL HG13 H 1 0.893 0.011 . 1 . . . . . 3 VAL HG13 . 30285 1 18 . 1 1 3 3 VAL HG21 H 1 0.893 0.011 . 1 . . . . . 3 VAL HG21 . 30285 1 19 . 1 1 3 3 VAL HG22 H 1 0.893 0.011 . 1 . . . . . 3 VAL HG22 . 30285 1 20 . 1 1 3 3 VAL HG23 H 1 0.893 0.011 . 1 . . . . . 3 VAL HG23 . 30285 1 21 . 1 1 3 3 VAL CA C 13 61.832 0.051 . 1 . . . . . 3 VAL CA . 30285 1 22 . 1 1 3 3 VAL CB C 13 32.962 0.051 . 1 . . . . . 3 VAL CB . 30285 1 23 . 1 1 3 3 VAL CG2 C 13 21.382 0.051 . 1 . . . . . 3 VAL CG2 . 30285 1 24 . 1 1 3 3 VAL N N 15 120.381 0.054 . 1 . . . . . 3 VAL N . 30285 1 25 . 1 1 4 4 SER H H 1 8.398 0.011 . 1 . . . . . 4 SER H . 30285 1 26 . 1 1 4 4 SER HA H 1 4.523 0.011 . 1 . . . . . 4 SER HA . 30285 1 27 . 1 1 4 4 SER HB2 H 1 4.214 0.011 . 1 . . . . . 4 SER HB2 . 30285 1 28 . 1 1 4 4 SER HB3 H 1 3.923 0.011 . 1 . . . . . 4 SER HB3 . 30285 1 29 . 1 1 4 4 SER CA C 13 56.821 0.051 . 1 . . . . . 4 SER CA . 30285 1 30 . 1 1 4 4 SER CB C 13 65.050 0.051 . 1 . . . . . 4 SER CB . 30285 1 31 . 1 1 4 4 SER N N 15 121.247 0.054 . 1 . . . . . 4 SER N . 30285 1 32 . 1 1 5 5 GLU H H 1 9.047 0.011 . 1 . . . . . 5 GLU H . 30285 1 33 . 1 1 5 5 GLU HA H 1 3.752 0.011 . 1 . . . . . 5 GLU HA . 30285 1 34 . 1 1 5 5 GLU HB2 H 1 2.079 0.011 . 1 . . . . . 5 GLU HB2 . 30285 1 35 . 1 1 5 5 GLU HB3 H 1 2.008 0.011 . 1 . . . . . 5 GLU HB3 . 30285 1 36 . 1 1 5 5 GLU HG2 H 1 2.207 0.011 . 1 . . . . . 5 GLU HG2 . 30285 1 37 . 1 1 5 5 GLU HG3 H 1 2.094 0.011 . 1 . . . . . 5 GLU HG3 . 30285 1 38 . 1 1 5 5 GLU CA C 13 60.296 0.051 . 1 . . . . . 5 GLU CA . 30285 1 39 . 1 1 5 5 GLU CB C 13 29.348 0.051 . 1 . . . . . 5 GLU CB . 30285 1 40 . 1 1 5 5 GLU CG C 13 36.908 0.051 . 1 . . . . . 5 GLU CG . 30285 1 41 . 1 1 5 5 GLU N N 15 123.457 0.054 . 1 . . . . . 5 GLU N . 30285 1 42 . 1 1 6 6 SER H H 1 8.363 0.011 . 1 . . . . . 6 SER H . 30285 1 43 . 1 1 6 6 SER HA H 1 4.031 0.011 . 1 . . . . . 6 SER HA . 30285 1 44 . 1 1 6 6 SER HB2 H 1 3.850 0.011 . 1 . . . . . 6 SER HB2 . 30285 1 45 . 1 1 6 6 SER HB3 H 1 3.850 0.011 . 1 . . . . . 6 SER HB3 . 30285 1 46 . 1 1 6 6 SER CA C 13 61.596 0.051 . 1 . . . . . 6 SER CA . 30285 1 47 . 1 1 6 6 SER CB C 13 62.265 0.051 . 1 . . . . . 6 SER CB . 30285 1 48 . 1 1 6 6 SER N N 15 113.239 0.054 . 1 . . . . . 6 SER N . 30285 1 49 . 1 1 7 7 GLN H H 1 7.730 0.011 . 1 . . . . . 7 GLN H . 30285 1 50 . 1 1 7 7 GLN HA H 1 4.032 0.011 . 1 . . . . . 7 GLN HA . 30285 1 51 . 1 1 7 7 GLN HB2 H 1 2.030 0.011 . 1 . . . . . 7 GLN HB2 . 30285 1 52 . 1 1 7 7 GLN HB3 H 1 2.224 0.011 . 1 . . . . . 7 GLN HB3 . 30285 1 53 . 1 1 7 7 GLN HG2 H 1 2.364 0.011 . 1 . . . . . 7 GLN HG2 . 30285 1 54 . 1 1 7 7 GLN HG3 H 1 2.366 0.011 . 1 . . . . . 7 GLN HG3 . 30285 1 55 . 1 1 7 7 GLN HE21 H 1 7.215 0.011 . 1 . . . . . 7 GLN HE21 . 30285 1 56 . 1 1 7 7 GLN HE22 H 1 6.864 0.011 . 1 . . . . . 7 GLN HE22 . 30285 1 57 . 1 1 7 7 GLN CA C 13 58.494 0.051 . 1 . . . . . 7 GLN CA . 30285 1 58 . 1 1 7 7 GLN CB C 13 28.416 0.051 . 1 . . . . . 7 GLN CB . 30285 1 59 . 1 1 7 7 GLN CG C 13 33.931 0.051 . 1 . . . . . 7 GLN CG . 30285 1 60 . 1 1 7 7 GLN N N 15 122.672 0.054 . 1 . . . . . 7 GLN N . 30285 1 61 . 1 1 7 7 GLN NE2 N 15 111.109 0.054 . 1 . . . . . 7 GLN NE2 . 30285 1 62 . 1 1 8 8 LEU H H 1 8.159 0.011 . 1 . . . . . 8 LEU H . 30285 1 63 . 1 1 8 8 LEU HA H 1 4.023 0.011 . 1 . . . . . 8 LEU HA . 30285 1 64 . 1 1 8 8 LEU HB2 H 1 1.812 0.011 . 1 . . . . . 8 LEU HB2 . 30285 1 65 . 1 1 8 8 LEU HB3 H 1 1.384 0.011 . 1 . . . . . 8 LEU HB3 . 30285 1 66 . 1 1 8 8 LEU HG H 1 0.782 0.011 . 1 . . . . . 8 LEU HG . 30285 1 67 . 1 1 8 8 LEU HD11 H 1 0.791 0.011 . 1 . . . . . 8 LEU HD11 . 30285 1 68 . 1 1 8 8 LEU HD12 H 1 0.791 0.011 . 1 . . . . . 8 LEU HD12 . 30285 1 69 . 1 1 8 8 LEU HD13 H 1 0.791 0.011 . 1 . . . . . 8 LEU HD13 . 30285 1 70 . 1 1 8 8 LEU HD21 H 1 0.885 0.011 . 1 . . . . . 8 LEU HD21 . 30285 1 71 . 1 1 8 8 LEU HD22 H 1 0.885 0.011 . 1 . . . . . 8 LEU HD22 . 30285 1 72 . 1 1 8 8 LEU HD23 H 1 0.885 0.011 . 1 . . . . . 8 LEU HD23 . 30285 1 73 . 1 1 8 8 LEU CA C 13 57.909 0.051 . 1 . . . . . 8 LEU CA . 30285 1 74 . 1 1 8 8 LEU CB C 13 42.631 0.051 . 1 . . . . . 8 LEU CB . 30285 1 75 . 1 1 8 8 LEU CG C 13 26.161 0.051 . 1 . . . . . 8 LEU CG . 30285 1 76 . 1 1 8 8 LEU CD1 C 13 25.287 0.051 . 1 . . . . . 8 LEU CD1 . 30285 1 77 . 1 1 8 8 LEU CD2 C 13 24.308 0.051 . 1 . . . . . 8 LEU CD2 . 30285 1 78 . 1 1 8 8 LEU N N 15 121.636 0.054 . 1 . . . . . 8 LEU N . 30285 1 79 . 1 1 9 9 LYS H H 1 8.275 0.011 . 1 . . . . . 9 LYS H . 30285 1 80 . 1 1 9 9 LYS HA H 1 3.550 0.011 . 1 . . . . . 9 LYS HA . 30285 1 81 . 1 1 9 9 LYS HB2 H 1 1.779 0.011 . 1 . . . . . 9 LYS HB2 . 30285 1 82 . 1 1 9 9 LYS HB3 H 1 1.832 0.011 . 1 . . . . . 9 LYS HB3 . 30285 1 83 . 1 1 9 9 LYS HG2 H 1 1.583 0.011 . 1 . . . . . 9 LYS HG2 . 30285 1 84 . 1 1 9 9 LYS HG3 H 1 1.295 0.011 . 1 . . . . . 9 LYS HG3 . 30285 1 85 . 1 1 9 9 LYS HD2 H 1 1.618 0.011 . 1 . . . . . 9 LYS HD2 . 30285 1 86 . 1 1 9 9 LYS HD3 H 1 1.618 0.011 . 1 . . . . . 9 LYS HD3 . 30285 1 87 . 1 1 9 9 LYS HE2 H 1 2.836 0.011 . 1 . . . . . 9 LYS HE2 . 30285 1 88 . 1 1 9 9 LYS HE3 H 1 2.841 0.011 . 1 . . . . . 9 LYS HE3 . 30285 1 89 . 1 1 9 9 LYS CA C 13 60.024 0.051 . 1 . . . . . 9 LYS CA . 30285 1 90 . 1 1 9 9 LYS CB C 13 32.435 0.051 . 1 . . . . . 9 LYS CB . 30285 1 91 . 1 1 9 9 LYS CG C 13 26.959 0.051 . 1 . . . . . 9 LYS CG . 30285 1 92 . 1 1 9 9 LYS CD C 13 29.607 0.051 . 1 . . . . . 9 LYS CD . 30285 1 93 . 1 1 9 9 LYS CE C 13 41.727 0.051 . 1 . . . . . 9 LYS CE . 30285 1 94 . 1 1 9 9 LYS N N 15 116.735 0.054 . 1 . . . . . 9 LYS N . 30285 1 95 . 1 1 10 10 LYS H H 1 7.137 0.011 . 1 . . . . . 10 LYS H . 30285 1 96 . 1 1 10 10 LYS HA H 1 4.035 0.011 . 1 . . . . . 10 LYS HA . 30285 1 97 . 1 1 10 10 LYS HB2 H 1 1.900 0.011 . 1 . . . . . 10 LYS HB2 . 30285 1 98 . 1 1 10 10 LYS HB3 H 1 1.893 0.011 . 1 . . . . . 10 LYS HB3 . 30285 1 99 . 1 1 10 10 LYS HG2 H 1 1.560 0.011 . 1 . . . . . 10 LYS HG2 . 30285 1 100 . 1 1 10 10 LYS HG3 H 1 1.410 0.011 . 1 . . . . . 10 LYS HG3 . 30285 1 101 . 1 1 10 10 LYS HD2 H 1 1.674 0.011 . 1 . . . . . 10 LYS HD2 . 30285 1 102 . 1 1 10 10 LYS HD3 H 1 1.675 0.011 . 1 . . . . . 10 LYS HD3 . 30285 1 103 . 1 1 10 10 LYS HE2 H 1 2.953 0.011 . 1 . . . . . 10 LYS HE2 . 30285 1 104 . 1 1 10 10 LYS HE3 H 1 2.953 0.011 . 1 . . . . . 10 LYS HE3 . 30285 1 105 . 1 1 10 10 LYS CA C 13 58.898 0.051 . 1 . . . . . 10 LYS CA . 30285 1 106 . 1 1 10 10 LYS CB C 13 32.312 0.051 . 1 . . . . . 10 LYS CB . 30285 1 107 . 1 1 10 10 LYS CG C 13 25.137 0.051 . 1 . . . . . 10 LYS CG . 30285 1 108 . 1 1 10 10 LYS CD C 13 29.038 0.051 . 1 . . . . . 10 LYS CD . 30285 1 109 . 1 1 10 10 LYS CE C 13 41.850 0.051 . 1 . . . . . 10 LYS CE . 30285 1 110 . 1 1 10 10 LYS N N 15 116.905 0.054 . 1 . . . . . 10 LYS N . 30285 1 111 . 1 1 11 11 MET H H 1 7.887 0.011 . 1 . . . . . 11 MET H . 30285 1 112 . 1 1 11 11 MET HA H 1 4.045 0.011 . 1 . . . . . 11 MET HA . 30285 1 113 . 1 1 11 11 MET HB2 H 1 2.317 0.011 . 1 . . . . . 11 MET HB2 . 30285 1 114 . 1 1 11 11 MET HB3 H 1 2.022 0.011 . 1 . . . . . 11 MET HB3 . 30285 1 115 . 1 1 11 11 MET HG2 H 1 2.807 0.011 . 1 . . . . . 11 MET HG2 . 30285 1 116 . 1 1 11 11 MET HG3 H 1 2.452 0.011 . 1 . . . . . 11 MET HG3 . 30285 1 117 . 1 1 11 11 MET HE1 H 1 1.927 0.011 . 1 . . . . . 11 MET HE1 . 30285 1 118 . 1 1 11 11 MET HE2 H 1 1.927 0.011 . 1 . . . . . 11 MET HE2 . 30285 1 119 . 1 1 11 11 MET HE3 H 1 1.927 0.011 . 1 . . . . . 11 MET HE3 . 30285 1 120 . 1 1 11 11 MET CA C 13 59.623 0.051 . 1 . . . . . 11 MET CA . 30285 1 121 . 1 1 11 11 MET CB C 13 34.153 0.051 . 1 . . . . . 11 MET CB . 30285 1 122 . 1 1 11 11 MET CG C 13 32.776 0.051 . 1 . . . . . 11 MET CG . 30285 1 123 . 1 1 11 11 MET CE C 13 16.955 0.051 . 1 . . . . . 11 MET CE . 30285 1 124 . 1 1 11 11 MET N N 15 119.948 0.054 . 1 . . . . . 11 MET N . 30285 1 125 . 1 1 12 12 VAL H H 1 7.306 0.011 . 1 . . . . . 12 VAL H . 30285 1 126 . 1 1 12 12 VAL HA H 1 4.489 0.011 . 1 . . . . . 12 VAL HA . 30285 1 127 . 1 1 12 12 VAL HB H 1 1.850 0.011 . 1 . . . . . 12 VAL HB . 30285 1 128 . 1 1 12 12 VAL HG11 H 1 0.704 0.011 . 1 . . . . . 12 VAL HG11 . 30285 1 129 . 1 1 12 12 VAL HG12 H 1 0.704 0.011 . 1 . . . . . 12 VAL HG12 . 30285 1 130 . 1 1 12 12 VAL HG13 H 1 0.704 0.011 . 1 . . . . . 12 VAL HG13 . 30285 1 131 . 1 1 12 12 VAL HG21 H 1 0.245 0.011 . 1 . . . . . 12 VAL HG21 . 30285 1 132 . 1 1 12 12 VAL HG22 H 1 0.245 0.011 . 1 . . . . . 12 VAL HG22 . 30285 1 133 . 1 1 12 12 VAL HG23 H 1 0.245 0.011 . 1 . . . . . 12 VAL HG23 . 30285 1 134 . 1 1 12 12 VAL CA C 13 59.347 0.051 . 1 . . . . . 12 VAL CA . 30285 1 135 . 1 1 12 12 VAL CB C 13 29.659 0.051 . 1 . . . . . 12 VAL CB . 30285 1 136 . 1 1 12 12 VAL CG1 C 13 19.406 0.051 . 1 . . . . . 12 VAL CG1 . 30285 1 137 . 1 1 12 12 VAL CG2 C 13 21.487 0.051 . 1 . . . . . 12 VAL CG2 . 30285 1 138 . 1 1 12 12 VAL N N 15 107.049 0.054 . 1 . . . . . 12 VAL N . 30285 1 139 . 1 1 13 13 SER H H 1 7.065 0.011 . 1 . . . . . 13 SER H . 30285 1 140 . 1 1 13 13 SER HA H 1 4.046 0.011 . 1 . . . . . 13 SER HA . 30285 1 141 . 1 1 13 13 SER HB2 H 1 4.032 0.011 . 1 . . . . . 13 SER HB2 . 30285 1 142 . 1 1 13 13 SER HB3 H 1 4.145 0.011 . 1 . . . . . 13 SER HB3 . 30285 1 143 . 1 1 13 13 SER CA C 13 62.121 0.051 . 1 . . . . . 13 SER CA . 30285 1 144 . 1 1 13 13 SER CB C 13 63.392 0.051 . 1 . . . . . 13 SER CB . 30285 1 145 . 1 1 13 13 SER N N 15 116.140 0.054 . 1 . . . . . 13 SER N . 30285 1 146 . 1 1 14 14 LYS H H 1 8.744 0.011 . 1 . . . . . 14 LYS H . 30285 1 147 . 1 1 14 14 LYS HA H 1 4.579 0.011 . 1 . . . . . 14 LYS HA . 30285 1 148 . 1 1 14 14 LYS HB2 H 1 2.128 0.011 . 1 . . . . . 14 LYS HB2 . 30285 1 149 . 1 1 14 14 LYS HB3 H 1 1.800 0.011 . 1 . . . . . 14 LYS HB3 . 30285 1 150 . 1 1 14 14 LYS HG2 H 1 1.476 0.011 . 1 . . . . . 14 LYS HG2 . 30285 1 151 . 1 1 14 14 LYS HG3 H 1 1.549 0.011 . 1 . . . . . 14 LYS HG3 . 30285 1 152 . 1 1 14 14 LYS HD2 H 1 1.742 0.011 . 1 . . . . . 14 LYS HD2 . 30285 1 153 . 1 1 14 14 LYS HD3 H 1 1.743 0.011 . 1 . . . . . 14 LYS HD3 . 30285 1 154 . 1 1 14 14 LYS HE2 H 1 3.042 0.011 . 1 . . . . . 14 LYS HE2 . 30285 1 155 . 1 1 14 14 LYS HE3 H 1 3.042 0.011 . 1 . . . . . 14 LYS HE3 . 30285 1 156 . 1 1 14 14 LYS CA C 13 55.731 0.051 . 1 . . . . . 14 LYS CA . 30285 1 157 . 1 1 14 14 LYS CB C 13 31.407 0.051 . 1 . . . . . 14 LYS CB . 30285 1 158 . 1 1 14 14 LYS CG C 13 25.141 0.051 . 1 . . . . . 14 LYS CG . 30285 1 159 . 1 1 14 14 LYS CD C 13 28.716 0.051 . 1 . . . . . 14 LYS CD . 30285 1 160 . 1 1 14 14 LYS CE C 13 41.978 0.051 . 1 . . . . . 14 LYS CE . 30285 1 161 . 1 1 14 14 LYS N N 15 118.483 0.054 . 1 . . . . . 14 LYS N . 30285 1 162 . 1 1 15 15 TYR H H 1 8.364 0.011 . 1 . . . . . 15 TYR H . 30285 1 163 . 1 1 15 15 TYR HA H 1 4.260 0.011 . 1 . . . . . 15 TYR HA . 30285 1 164 . 1 1 15 15 TYR HB2 H 1 3.477 0.011 . 1 . . . . . 15 TYR HB2 . 30285 1 165 . 1 1 15 15 TYR HB3 H 1 3.493 0.011 . 1 . . . . . 15 TYR HB3 . 30285 1 166 . 1 1 15 15 TYR HD1 H 1 7.455 0.011 . 1 . . . . . 15 TYR HD1 . 30285 1 167 . 1 1 15 15 TYR HD2 H 1 7.455 0.011 . 1 . . . . . 15 TYR HD2 . 30285 1 168 . 1 1 15 15 TYR HE1 H 1 6.810 0.011 . 1 . . . . . 15 TYR HE1 . 30285 1 169 . 1 1 15 15 TYR HE2 H 1 6.810 0.011 . 1 . . . . . 15 TYR HE2 . 30285 1 170 . 1 1 15 15 TYR HH H 1 9.445 0.011 . 1 . . . . . 15 TYR HH . 30285 1 171 . 1 1 15 15 TYR CA C 13 59.678 0.051 . 1 . . . . . 15 TYR CA . 30285 1 172 . 1 1 15 15 TYR CB C 13 35.139 0.051 . 1 . . . . . 15 TYR CB . 30285 1 173 . 1 1 15 15 TYR CD1 C 13 131.663 0.051 . 1 . . . . . 15 TYR CD1 . 30285 1 174 . 1 1 15 15 TYR CD2 C 13 131.663 0.051 . 1 . . . . . 15 TYR CD2 . 30285 1 175 . 1 1 15 15 TYR CE1 C 13 120.153 0.051 . 1 . . . . . 15 TYR CE1 . 30285 1 176 . 1 1 15 15 TYR CE2 C 13 120.153 0.051 . 1 . . . . . 15 TYR CE2 . 30285 1 177 . 1 1 15 15 TYR N N 15 125.288 0.054 . 1 . . . . . 15 TYR N . 30285 1 178 . 1 1 16 16 LYS H H 1 7.891 0.011 . 1 . . . . . 16 LYS H . 30285 1 179 . 1 1 16 16 LYS HA H 1 3.809 0.011 . 1 . . . . . 16 LYS HA . 30285 1 180 . 1 1 16 16 LYS HB2 H 1 1.524 0.011 . 1 . . . . . 16 LYS HB2 . 30285 1 181 . 1 1 16 16 LYS HB3 H 1 1.166 0.011 . 1 . . . . . 16 LYS HB3 . 30285 1 182 . 1 1 16 16 LYS HG2 H 1 1.056 0.011 . 1 . . . . . 16 LYS HG2 . 30285 1 183 . 1 1 16 16 LYS HG3 H 1 0.731 0.011 . 1 . . . . . 16 LYS HG3 . 30285 1 184 . 1 1 16 16 LYS HD2 H 1 1.428 0.011 . 1 . . . . . 16 LYS HD2 . 30285 1 185 . 1 1 16 16 LYS HE2 H 1 2.817 0.011 . 1 . . . . . 16 LYS HE2 . 30285 1 186 . 1 1 16 16 LYS CA C 13 58.906 0.051 . 1 . . . . . 16 LYS CA . 30285 1 187 . 1 1 16 16 LYS CB C 13 33.009 0.051 . 1 . . . . . 16 LYS CB . 30285 1 188 . 1 1 16 16 LYS CG C 13 25.212 0.051 . 1 . . . . . 16 LYS CG . 30285 1 189 . 1 1 16 16 LYS CD C 13 28.895 0.051 . 1 . . . . . 16 LYS CD . 30285 1 190 . 1 1 16 16 LYS CE C 13 41.850 0.051 . 1 . . . . . 16 LYS CE . 30285 1 191 . 1 1 16 16 LYS N N 15 122.077 0.054 . 1 . . . . . 16 LYS N . 30285 1 192 . 1 1 17 17 TYR H H 1 10.055 0.011 . 1 . . . . . 17 TYR H . 30285 1 193 . 1 1 17 17 TYR HA H 1 4.983 0.011 . 1 . . . . . 17 TYR HA . 30285 1 194 . 1 1 17 17 TYR HB2 H 1 3.737 0.011 . 1 . . . . . 17 TYR HB2 . 30285 1 195 . 1 1 17 17 TYR HB3 H 1 3.182 0.011 . 1 . . . . . 17 TYR HB3 . 30285 1 196 . 1 1 17 17 TYR HD1 H 1 7.191 0.011 . 1 . . . . . 17 TYR HD1 . 30285 1 197 . 1 1 17 17 TYR HD2 H 1 7.191 0.011 . 1 . . . . . 17 TYR HD2 . 30285 1 198 . 1 1 17 17 TYR HE1 H 1 6.666 0.011 . 1 . . . . . 17 TYR HE1 . 30285 1 199 . 1 1 17 17 TYR HE2 H 1 6.666 0.011 . 1 . . . . . 17 TYR HE2 . 30285 1 200 . 1 1 17 17 TYR CA C 13 54.898 0.051 . 1 . . . . . 17 TYR CA . 30285 1 201 . 1 1 17 17 TYR CB C 13 35.103 0.051 . 1 . . . . . 17 TYR CB . 30285 1 202 . 1 1 17 17 TYR CD1 C 13 134.157 0.051 . 1 . . . . . 17 TYR CD1 . 30285 1 203 . 1 1 17 17 TYR CD2 C 13 134.157 0.051 . 1 . . . . . 17 TYR CD2 . 30285 1 204 . 1 1 17 17 TYR CE1 C 13 117.987 0.051 . 1 . . . . . 17 TYR CE1 . 30285 1 205 . 1 1 17 17 TYR CE2 C 13 117.987 0.051 . 1 . . . . . 17 TYR CE2 . 30285 1 206 . 1 1 17 17 TYR N N 15 122.650 0.054 . 1 . . . . . 17 TYR N . 30285 1 207 . 1 1 18 18 ARG H H 1 7.584 0.011 . 1 . . . . . 18 ARG H . 30285 1 208 . 1 1 18 18 ARG HA H 1 3.744 0.011 . 1 . . . . . 18 ARG HA . 30285 1 209 . 1 1 18 18 ARG HB2 H 1 2.053 0.011 . 1 . . . . . 18 ARG HB2 . 30285 1 210 . 1 1 18 18 ARG HB3 H 1 1.884 0.011 . 1 . . . . . 18 ARG HB3 . 30285 1 211 . 1 1 18 18 ARG HG2 H 1 1.885 0.011 . 1 . . . . . 18 ARG HG2 . 30285 1 212 . 1 1 18 18 ARG HG3 H 1 1.547 0.011 . 1 . . . . . 18 ARG HG3 . 30285 1 213 . 1 1 18 18 ARG HD2 H 1 3.280 0.011 . 1 . . . . . 18 ARG HD2 . 30285 1 214 . 1 1 18 18 ARG HD3 H 1 3.295 0.011 . 1 . . . . . 18 ARG HD3 . 30285 1 215 . 1 1 18 18 ARG CA C 13 60.809 0.051 . 1 . . . . . 18 ARG CA . 30285 1 216 . 1 1 18 18 ARG CB C 13 30.772 0.051 . 1 . . . . . 18 ARG CB . 30285 1 217 . 1 1 18 18 ARG CG C 13 26.395 0.051 . 1 . . . . . 18 ARG CG . 30285 1 218 . 1 1 18 18 ARG CD C 13 43.614 0.051 . 1 . . . . . 18 ARG CD . 30285 1 219 . 1 1 18 18 ARG N N 15 123.037 0.054 . 1 . . . . . 18 ARG N . 30285 1 220 . 1 1 19 19 ASP H H 1 8.656 0.011 . 1 . . . . . 19 ASP H . 30285 1 221 . 1 1 19 19 ASP HA H 1 4.364 0.011 . 1 . . . . . 19 ASP HA . 30285 1 222 . 1 1 19 19 ASP HB2 H 1 2.731 0.011 . 1 . . . . . 19 ASP HB2 . 30285 1 223 . 1 1 19 19 ASP HB3 H 1 2.731 0.011 . 1 . . . . . 19 ASP HB3 . 30285 1 224 . 1 1 19 19 ASP CA C 13 57.955 0.051 . 1 . . . . . 19 ASP CA . 30285 1 225 . 1 1 19 19 ASP CB C 13 39.377 0.051 . 1 . . . . . 19 ASP CB . 30285 1 226 . 1 1 19 19 ASP N N 15 118.634 0.054 . 1 . . . . . 19 ASP N . 30285 1 227 . 1 1 20 20 LEU H H 1 8.216 0.011 . 1 . . . . . 20 LEU H . 30285 1 228 . 1 1 20 20 LEU HA H 1 4.184 0.011 . 1 . . . . . 20 LEU HA . 30285 1 229 . 1 1 20 20 LEU HB2 H 1 1.931 0.011 . 1 . . . . . 20 LEU HB2 . 30285 1 230 . 1 1 20 20 LEU HB3 H 1 1.492 0.011 . 1 . . . . . 20 LEU HB3 . 30285 1 231 . 1 1 20 20 LEU HG H 1 1.927 0.011 . 1 . . . . . 20 LEU HG . 30285 1 232 . 1 1 20 20 LEU HD11 H 1 0.967 0.011 . 1 . . . . . 20 LEU HD11 . 30285 1 233 . 1 1 20 20 LEU HD12 H 1 0.967 0.011 . 1 . . . . . 20 LEU HD12 . 30285 1 234 . 1 1 20 20 LEU HD13 H 1 0.967 0.011 . 1 . . . . . 20 LEU HD13 . 30285 1 235 . 1 1 20 20 LEU HD21 H 1 0.809 0.011 . 1 . . . . . 20 LEU HD21 . 30285 1 236 . 1 1 20 20 LEU HD22 H 1 0.809 0.011 . 1 . . . . . 20 LEU HD22 . 30285 1 237 . 1 1 20 20 LEU HD23 H 1 0.809 0.011 . 1 . . . . . 20 LEU HD23 . 30285 1 238 . 1 1 20 20 LEU CA C 13 58.036 0.051 . 1 . . . . . 20 LEU CA . 30285 1 239 . 1 1 20 20 LEU CB C 13 42.129 0.051 . 1 . . . . . 20 LEU CB . 30285 1 240 . 1 1 20 20 LEU CG C 13 27.108 0.051 . 1 . . . . . 20 LEU CG . 30285 1 241 . 1 1 20 20 LEU CD1 C 13 22.860 0.051 . 1 . . . . . 20 LEU CD1 . 30285 1 242 . 1 1 20 20 LEU CD2 C 13 25.513 0.051 . 1 . . . . . 20 LEU CD2 . 30285 1 243 . 1 1 20 20 LEU N N 15 120.922 0.054 . 1 . . . . . 20 LEU N . 30285 1 244 . 1 1 21 21 THR H H 1 8.118 0.011 . 1 . . . . . 21 THR H . 30285 1 245 . 1 1 21 21 THR HB H 1 4.300 0.011 . 1 . . . . . 21 THR HB . 30285 1 246 . 1 1 21 21 THR HG1 H 1 3.851 0.011 . 1 . . . . . 21 THR HG1 . 30285 1 247 . 1 1 21 21 THR HG21 H 1 0.958 0.011 . 1 . . . . . 21 THR HG21 . 30285 1 248 . 1 1 21 21 THR HG22 H 1 0.958 0.011 . 1 . . . . . 21 THR HG22 . 30285 1 249 . 1 1 21 21 THR HG23 H 1 0.958 0.011 . 1 . . . . . 21 THR HG23 . 30285 1 250 . 1 1 21 21 THR CA C 13 69.229 0.051 . 1 . . . . . 21 THR CA . 30285 1 251 . 1 1 21 21 THR CB C 13 68.210 0.051 . 1 . . . . . 21 THR CB . 30285 1 252 . 1 1 21 21 THR CG2 C 13 21.360 0.051 . 1 . . . . . 21 THR CG2 . 30285 1 253 . 1 1 21 21 THR N N 15 116.573 0.054 . 1 . . . . . 21 THR N . 30285 1 254 . 1 1 22 22 VAL H H 1 8.762 0.011 . 1 . . . . . 22 VAL H . 30285 1 255 . 1 1 22 22 VAL HA H 1 3.286 0.011 . 1 . . . . . 22 VAL HA . 30285 1 256 . 1 1 22 22 VAL HB H 1 2.164 0.011 . 1 . . . . . 22 VAL HB . 30285 1 257 . 1 1 22 22 VAL HG11 H 1 0.892 0.011 . 1 . . . . . 22 VAL HG11 . 30285 1 258 . 1 1 22 22 VAL HG12 H 1 0.892 0.011 . 1 . . . . . 22 VAL HG12 . 30285 1 259 . 1 1 22 22 VAL HG13 H 1 0.892 0.011 . 1 . . . . . 22 VAL HG13 . 30285 1 260 . 1 1 22 22 VAL HG21 H 1 0.879 0.011 . 1 . . . . . 22 VAL HG21 . 30285 1 261 . 1 1 22 22 VAL HG22 H 1 0.879 0.011 . 1 . . . . . 22 VAL HG22 . 30285 1 262 . 1 1 22 22 VAL HG23 H 1 0.879 0.011 . 1 . . . . . 22 VAL HG23 . 30285 1 263 . 1 1 22 22 VAL CA C 13 67.833 0.051 . 1 . . . . . 22 VAL CA . 30285 1 264 . 1 1 22 22 VAL CB C 13 31.744 0.051 . 1 . . . . . 22 VAL CB . 30285 1 265 . 1 1 22 22 VAL CG1 C 13 21.509 0.051 . 1 . . . . . 22 VAL CG1 . 30285 1 266 . 1 1 22 22 VAL CG2 C 13 24.293 0.051 . 1 . . . . . 22 VAL CG2 . 30285 1 267 . 1 1 22 22 VAL N N 15 123.687 0.054 . 1 . . . . . 22 VAL N . 30285 1 268 . 1 1 23 23 ARG H H 1 7.944 0.011 . 1 . . . . . 23 ARG H . 30285 1 269 . 1 1 23 23 ARG HA H 1 3.949 0.011 . 1 . . . . . 23 ARG HA . 30285 1 270 . 1 1 23 23 ARG HB2 H 1 1.998 0.011 . 1 . . . . . 23 ARG HB2 . 30285 1 271 . 1 1 23 23 ARG HB3 H 1 2.018 0.011 . 1 . . . . . 23 ARG HB3 . 30285 1 272 . 1 1 23 23 ARG HG2 H 1 1.743 0.011 . 1 . . . . . 23 ARG HG2 . 30285 1 273 . 1 1 23 23 ARG HG3 H 1 1.743 0.011 . 1 . . . . . 23 ARG HG3 . 30285 1 274 . 1 1 23 23 ARG HD2 H 1 3.256 0.011 . 1 . . . . . 23 ARG HD2 . 30285 1 275 . 1 1 23 23 ARG HD3 H 1 3.271 0.011 . 1 . . . . . 23 ARG HD3 . 30285 1 276 . 1 1 23 23 ARG CA C 13 59.449 0.051 . 1 . . . . . 23 ARG CA . 30285 1 277 . 1 1 23 23 ARG CB C 13 29.934 0.051 . 1 . . . . . 23 ARG CB . 30285 1 278 . 1 1 23 23 ARG CG C 13 26.645 0.051 . 1 . . . . . 23 ARG CG . 30285 1 279 . 1 1 23 23 ARG CD C 13 43.327 0.051 . 1 . . . . . 23 ARG CD . 30285 1 280 . 1 1 23 23 ARG N N 15 118.661 0.054 . 1 . . . . . 23 ARG N . 30285 1 281 . 1 1 24 24 GLU H H 1 7.915 0.011 . 1 . . . . . 24 GLU H . 30285 1 282 . 1 1 24 24 GLU HA H 1 4.186 0.011 . 1 . . . . . 24 GLU HA . 30285 1 283 . 1 1 24 24 GLU HB2 H 1 2.607 0.011 . 1 . . . . . 24 GLU HB2 . 30285 1 284 . 1 1 24 24 GLU HB3 H 1 2.181 0.011 . 1 . . . . . 24 GLU HB3 . 30285 1 285 . 1 1 24 24 GLU HG2 H 1 2.921 0.011 . 1 . . . . . 24 GLU HG2 . 30285 1 286 . 1 1 24 24 GLU HG3 H 1 2.494 0.011 . 1 . . . . . 24 GLU HG3 . 30285 1 287 . 1 1 24 24 GLU CA C 13 60.961 0.051 . 1 . . . . . 24 GLU CA . 30285 1 288 . 1 1 24 24 GLU CB C 13 30.207 0.051 . 1 . . . . . 24 GLU CB . 30285 1 289 . 1 1 24 24 GLU CG C 13 37.467 0.051 . 1 . . . . . 24 GLU CG . 30285 1 290 . 1 1 24 24 GLU N N 15 116.229 0.054 . 1 . . . . . 24 GLU N . 30285 1 291 . 1 1 25 25 THR H H 1 8.004 0.011 . 1 . . . . . 25 THR H . 30285 1 292 . 1 1 25 25 THR HA H 1 4.124 0.011 . 1 . . . . . 25 THR HA . 30285 1 293 . 1 1 25 25 THR HB H 1 3.605 0.011 . 1 . . . . . 25 THR HB . 30285 1 294 . 1 1 25 25 THR HG1 H 1 3.915 0.011 . 1 . . . . . 25 THR HG1 . 30285 1 295 . 1 1 25 25 THR HG21 H 1 1.022 0.011 . 1 . . . . . 25 THR HG21 . 30285 1 296 . 1 1 25 25 THR HG22 H 1 1.022 0.011 . 1 . . . . . 25 THR HG22 . 30285 1 297 . 1 1 25 25 THR HG23 H 1 1.022 0.011 . 1 . . . . . 25 THR HG23 . 30285 1 298 . 1 1 25 25 THR CA C 13 67.314 0.051 . 1 . . . . . 25 THR CA . 30285 1 299 . 1 1 25 25 THR CB C 13 68.519 0.051 . 1 . . . . . 25 THR CB . 30285 1 300 . 1 1 25 25 THR CG2 C 13 22.364 0.051 . 1 . . . . . 25 THR CG2 . 30285 1 301 . 1 1 25 25 THR N N 15 116.093 0.054 . 1 . . . . . 25 THR N . 30285 1 302 . 1 1 26 26 VAL H H 1 8.750 0.011 . 1 . . . . . 26 VAL H . 30285 1 303 . 1 1 26 26 VAL HA H 1 3.458 0.011 . 1 . . . . . 26 VAL HA . 30285 1 304 . 1 1 26 26 VAL HB H 1 2.088 0.011 . 1 . . . . . 26 VAL HB . 30285 1 305 . 1 1 26 26 VAL HG11 H 1 0.869 0.011 . 1 . . . . . 26 VAL HG11 . 30285 1 306 . 1 1 26 26 VAL HG12 H 1 0.869 0.011 . 1 . . . . . 26 VAL HG12 . 30285 1 307 . 1 1 26 26 VAL HG13 H 1 0.869 0.011 . 1 . . . . . 26 VAL HG13 . 30285 1 308 . 1 1 26 26 VAL HG21 H 1 0.942 0.011 . 1 . . . . . 26 VAL HG21 . 30285 1 309 . 1 1 26 26 VAL HG22 H 1 0.942 0.011 . 1 . . . . . 26 VAL HG22 . 30285 1 310 . 1 1 26 26 VAL HG23 H 1 0.942 0.011 . 1 . . . . . 26 VAL HG23 . 30285 1 311 . 1 1 26 26 VAL CA C 13 66.993 0.051 . 1 . . . . . 26 VAL CA . 30285 1 312 . 1 1 26 26 VAL CB C 13 31.477 0.051 . 1 . . . . . 26 VAL CB . 30285 1 313 . 1 1 26 26 VAL CG1 C 13 21.107 0.051 . 1 . . . . . 26 VAL CG1 . 30285 1 314 . 1 1 26 26 VAL CG2 C 13 23.380 0.051 . 1 . . . . . 26 VAL CG2 . 30285 1 315 . 1 1 26 26 VAL N N 15 121.593 0.054 . 1 . . . . . 26 VAL N . 30285 1 316 . 1 1 27 27 ASN H H 1 7.834 0.011 . 1 . . . . . 27 ASN H . 30285 1 317 . 1 1 27 27 ASN HA H 1 4.457 0.011 . 1 . . . . . 27 ASN HA . 30285 1 318 . 1 1 27 27 ASN HB2 H 1 3.061 0.011 . 1 . . . . . 27 ASN HB2 . 30285 1 319 . 1 1 27 27 ASN HB3 H 1 2.800 0.011 . 1 . . . . . 27 ASN HB3 . 30285 1 320 . 1 1 27 27 ASN HD21 H 1 7.672 0.011 . 1 . . . . . 27 ASN HD21 . 30285 1 321 . 1 1 27 27 ASN HD22 H 1 6.851 0.011 . 1 . . . . . 27 ASN HD22 . 30285 1 322 . 1 1 27 27 ASN CA C 13 55.958 0.051 . 1 . . . . . 27 ASN CA . 30285 1 323 . 1 1 27 27 ASN CB C 13 37.678 0.051 . 1 . . . . . 27 ASN CB . 30285 1 324 . 1 1 27 27 ASN N N 15 119.713 0.054 . 1 . . . . . 27 ASN N . 30285 1 325 . 1 1 27 27 ASN ND2 N 15 111.138 0.054 . 1 . . . . . 27 ASN ND2 . 30285 1 326 . 1 1 28 28 VAL H H 1 7.858 0.011 . 1 . . . . . 28 VAL H . 30285 1 327 . 1 1 28 28 VAL HA H 1 3.945 0.011 . 1 . . . . . 28 VAL HA . 30285 1 328 . 1 1 28 28 VAL HB H 1 2.238 0.011 . 1 . . . . . 28 VAL HB . 30285 1 329 . 1 1 28 28 VAL HG11 H 1 1.078 0.011 . 1 . . . . . 28 VAL HG11 . 30285 1 330 . 1 1 28 28 VAL HG12 H 1 1.078 0.011 . 1 . . . . . 28 VAL HG12 . 30285 1 331 . 1 1 28 28 VAL HG13 H 1 1.078 0.011 . 1 . . . . . 28 VAL HG13 . 30285 1 332 . 1 1 28 28 VAL HG21 H 1 0.939 0.011 . 1 . . . . . 28 VAL HG21 . 30285 1 333 . 1 1 28 28 VAL HG22 H 1 0.939 0.011 . 1 . . . . . 28 VAL HG22 . 30285 1 334 . 1 1 28 28 VAL HG23 H 1 0.939 0.011 . 1 . . . . . 28 VAL HG23 . 30285 1 335 . 1 1 28 28 VAL CA C 13 66.861 0.051 . 1 . . . . . 28 VAL CA . 30285 1 336 . 1 1 28 28 VAL CB C 13 31.959 0.051 . 1 . . . . . 28 VAL CB . 30285 1 337 . 1 1 28 28 VAL CG1 C 13 24.779 0.051 . 1 . . . . . 28 VAL CG1 . 30285 1 338 . 1 1 28 28 VAL CG2 C 13 22.828 0.051 . 1 . . . . . 28 VAL CG2 . 30285 1 339 . 1 1 28 28 VAL N N 15 118.490 0.054 . 1 . . . . . 28 VAL N . 30285 1 340 . 1 1 29 29 ILE H H 1 8.397 0.011 . 1 . . . . . 29 ILE H . 30285 1 341 . 1 1 29 29 ILE HA H 1 4.318 0.011 . 1 . . . . . 29 ILE HA . 30285 1 342 . 1 1 29 29 ILE HB H 1 2.269 0.011 . 1 . . . . . 29 ILE HB . 30285 1 343 . 1 1 29 29 ILE HG12 H 1 1.590 0.011 . 1 . . . . . 29 ILE HG12 . 30285 1 344 . 1 1 29 29 ILE HG13 H 1 1.388 0.011 . 1 . . . . . 29 ILE HG13 . 30285 1 345 . 1 1 29 29 ILE HG21 H 1 0.856 0.011 . 1 . . . . . 29 ILE HG21 . 30285 1 346 . 1 1 29 29 ILE HG22 H 1 0.856 0.011 . 1 . . . . . 29 ILE HG22 . 30285 1 347 . 1 1 29 29 ILE HG23 H 1 0.856 0.011 . 1 . . . . . 29 ILE HG23 . 30285 1 348 . 1 1 29 29 ILE HD11 H 1 0.806 0.011 . 1 . . . . . 29 ILE HD11 . 30285 1 349 . 1 1 29 29 ILE HD12 H 1 0.806 0.011 . 1 . . . . . 29 ILE HD12 . 30285 1 350 . 1 1 29 29 ILE HD13 H 1 0.806 0.011 . 1 . . . . . 29 ILE HD13 . 30285 1 351 . 1 1 29 29 ILE CA C 13 64.037 0.051 . 1 . . . . . 29 ILE CA . 30285 1 352 . 1 1 29 29 ILE CB C 13 36.612 0.051 . 1 . . . . . 29 ILE CB . 30285 1 353 . 1 1 29 29 ILE CG1 C 13 25.866 0.051 . 1 . . . . . 29 ILE CG1 . 30285 1 354 . 1 1 29 29 ILE CG2 C 13 18.059 0.051 . 1 . . . . . 29 ILE CG2 . 30285 1 355 . 1 1 29 29 ILE CD1 C 13 13.956 0.051 . 1 . . . . . 29 ILE CD1 . 30285 1 356 . 1 1 29 29 ILE N N 15 114.632 0.054 . 1 . . . . . 29 ILE N . 30285 1 357 . 1 1 30 30 THR H H 1 7.622 0.011 . 1 . . . . . 30 THR H . 30285 1 358 . 1 1 30 30 THR HA H 1 3.954 0.011 . 1 . . . . . 30 THR HA . 30285 1 359 . 1 1 30 30 THR HB H 1 4.193 0.011 . 1 . . . . . 30 THR HB . 30285 1 360 . 1 1 30 30 THR HG21 H 1 1.200 0.011 . 1 . . . . . 30 THR HG21 . 30285 1 361 . 1 1 30 30 THR HG22 H 1 1.200 0.011 . 1 . . . . . 30 THR HG22 . 30285 1 362 . 1 1 30 30 THR HG23 H 1 1.200 0.011 . 1 . . . . . 30 THR HG23 . 30285 1 363 . 1 1 30 30 THR CA C 13 65.613 0.051 . 1 . . . . . 30 THR CA . 30285 1 364 . 1 1 30 30 THR CB C 13 69.108 0.051 . 1 . . . . . 30 THR CB . 30285 1 365 . 1 1 30 30 THR CG2 C 13 20.963 0.051 . 1 . . . . . 30 THR CG2 . 30285 1 366 . 1 1 30 30 THR N N 15 115.523 0.054 . 1 . . . . . 30 THR N . 30285 1 367 . 1 1 31 31 LEU H H 1 6.854 0.011 . 1 . . . . . 31 LEU H . 30285 1 368 . 1 1 31 31 LEU HA H 1 4.145 0.011 . 1 . . . . . 31 LEU HA . 30285 1 369 . 1 1 31 31 LEU HB2 H 1 1.390 0.011 . 1 . . . . . 31 LEU HB2 . 30285 1 370 . 1 1 31 31 LEU HB3 H 1 1.151 0.011 . 1 . . . . . 31 LEU HB3 . 30285 1 371 . 1 1 31 31 LEU HG H 1 0.961 0.011 . 1 . . . . . 31 LEU HG . 30285 1 372 . 1 1 31 31 LEU HD11 H 1 0.685 0.011 . 1 . . . . . 31 LEU HD11 . 30285 1 373 . 1 1 31 31 LEU HD12 H 1 0.685 0.011 . 1 . . . . . 31 LEU HD12 . 30285 1 374 . 1 1 31 31 LEU HD13 H 1 0.685 0.011 . 1 . . . . . 31 LEU HD13 . 30285 1 375 . 1 1 31 31 LEU HD21 H 1 0.788 0.011 . 1 . . . . . 31 LEU HD21 . 30285 1 376 . 1 1 31 31 LEU HD22 H 1 0.788 0.011 . 1 . . . . . 31 LEU HD22 . 30285 1 377 . 1 1 31 31 LEU HD23 H 1 0.788 0.011 . 1 . . . . . 31 LEU HD23 . 30285 1 378 . 1 1 31 31 LEU CA C 13 56.296 0.051 . 1 . . . . . 31 LEU CA . 30285 1 379 . 1 1 31 31 LEU CB C 13 43.863 0.051 . 1 . . . . . 31 LEU CB . 30285 1 380 . 1 1 31 31 LEU CG C 13 26.959 0.051 . 1 . . . . . 31 LEU CG . 30285 1 381 . 1 1 31 31 LEU CD1 C 13 24.316 0.051 . 1 . . . . . 31 LEU CD1 . 30285 1 382 . 1 1 31 31 LEU CD2 C 13 24.141 0.051 . 1 . . . . . 31 LEU CD2 . 30285 1 383 . 1 1 31 31 LEU N N 15 121.761 0.054 . 1 . . . . . 31 LEU N . 30285 1 384 . 1 1 32 32 TYR H H 1 8.549 0.011 . 1 . . . . . 32 TYR H . 30285 1 385 . 1 1 32 32 TYR HA H 1 4.527 0.011 . 1 . . . . . 32 TYR HA . 30285 1 386 . 1 1 32 32 TYR HB2 H 1 3.250 0.011 . 1 . . . . . 32 TYR HB2 . 30285 1 387 . 1 1 32 32 TYR HB3 H 1 2.771 0.011 . 1 . . . . . 32 TYR HB3 . 30285 1 388 . 1 1 32 32 TYR HD1 H 1 7.136 0.011 . 1 . . . . . 32 TYR HD1 . 30285 1 389 . 1 1 32 32 TYR HD2 H 1 7.136 0.011 . 1 . . . . . 32 TYR HD2 . 30285 1 390 . 1 1 32 32 TYR HE1 H 1 6.675 0.011 . 1 . . . . . 32 TYR HE1 . 30285 1 391 . 1 1 32 32 TYR HE2 H 1 6.675 0.011 . 1 . . . . . 32 TYR HE2 . 30285 1 392 . 1 1 32 32 TYR CA C 13 58.027 0.051 . 1 . . . . . 32 TYR CA . 30285 1 393 . 1 1 32 32 TYR CB C 13 36.165 0.051 . 1 . . . . . 32 TYR CB . 30285 1 394 . 1 1 32 32 TYR CD1 C 13 132.825 0.051 . 1 . . . . . 32 TYR CD1 . 30285 1 395 . 1 1 32 32 TYR CD2 C 13 132.825 0.051 . 1 . . . . . 32 TYR CD2 . 30285 1 396 . 1 1 32 32 TYR N N 15 122.099 0.054 . 1 . . . . . 32 TYR N . 30285 1 397 . 1 1 33 33 LYS H H 1 7.495 0.011 . 1 . . . . . 33 LYS H . 30285 1 398 . 1 1 33 33 LYS HA H 1 4.319 0.011 . 1 . . . . . 33 LYS HA . 30285 1 399 . 1 1 33 33 LYS HB2 H 1 1.748 0.011 . 1 . . . . . 33 LYS HB2 . 30285 1 400 . 1 1 33 33 LYS HB3 H 1 1.868 0.011 . 1 . . . . . 33 LYS HB3 . 30285 1 401 . 1 1 33 33 LYS HG2 H 1 1.339 0.011 . 1 . . . . . 33 LYS HG2 . 30285 1 402 . 1 1 33 33 LYS HG3 H 1 1.436 0.011 . 1 . . . . . 33 LYS HG3 . 30285 1 403 . 1 1 33 33 LYS HD2 H 1 1.653 0.011 . 1 . . . . . 33 LYS HD2 . 30285 1 404 . 1 1 33 33 LYS HE2 H 1 3.012 0.011 . 1 . . . . . 33 LYS HE2 . 30285 1 405 . 1 1 33 33 LYS CA C 13 57.717 0.051 . 1 . . . . . 33 LYS CA . 30285 1 406 . 1 1 33 33 LYS CB C 13 32.275 0.051 . 1 . . . . . 33 LYS CB . 30285 1 407 . 1 1 33 33 LYS CG C 13 24.590 0.051 . 1 . . . . . 33 LYS CG . 30285 1 408 . 1 1 33 33 LYS CD C 13 29.070 0.051 . 1 . . . . . 33 LYS CD . 30285 1 409 . 1 1 33 33 LYS N N 15 116.533 0.054 . 1 . . . . . 33 LYS N . 30285 1 410 . 1 1 34 34 ASP H H 1 8.781 0.011 . 1 . . . . . 34 ASP H . 30285 1 411 . 1 1 34 34 ASP HA H 1 4.960 0.011 . 1 . . . . . 34 ASP HA . 30285 1 412 . 1 1 34 34 ASP HB2 H 1 2.942 0.011 . 1 . . . . . 34 ASP HB2 . 30285 1 413 . 1 1 34 34 ASP HB3 H 1 2.491 0.011 . 1 . . . . . 34 ASP HB3 . 30285 1 414 . 1 1 34 34 ASP CA C 13 54.051 0.051 . 1 . . . . . 34 ASP CA . 30285 1 415 . 1 1 34 34 ASP CB C 13 41.707 0.051 . 1 . . . . . 34 ASP CB . 30285 1 416 . 1 1 34 34 ASP N N 15 118.713 0.054 . 1 . . . . . 34 ASP N . 30285 1 417 . 1 1 35 35 LEU H H 1 7.611 0.011 . 1 . . . . . 35 LEU H . 30285 1 418 . 1 1 35 35 LEU HA H 1 4.651 0.011 . 1 . . . . . 35 LEU HA . 30285 1 419 . 1 1 35 35 LEU HB2 H 1 1.972 0.011 . 1 . . . . . 35 LEU HB2 . 30285 1 420 . 1 1 35 35 LEU HB3 H 1 0.824 0.011 . 1 . . . . . 35 LEU HB3 . 30285 1 421 . 1 1 35 35 LEU HG H 1 1.506 0.011 . 1 . . . . . 35 LEU HG . 30285 1 422 . 1 1 35 35 LEU HD11 H 1 0.300 0.011 . 1 . . . . . 35 LEU HD11 . 30285 1 423 . 1 1 35 35 LEU HD12 H 1 0.300 0.011 . 1 . . . . . 35 LEU HD12 . 30285 1 424 . 1 1 35 35 LEU HD13 H 1 0.300 0.011 . 1 . . . . . 35 LEU HD13 . 30285 1 425 . 1 1 35 35 LEU HD21 H 1 0.502 0.011 . 1 . . . . . 35 LEU HD21 . 30285 1 426 . 1 1 35 35 LEU HD22 H 1 0.502 0.011 . 1 . . . . . 35 LEU HD22 . 30285 1 427 . 1 1 35 35 LEU HD23 H 1 0.502 0.011 . 1 . . . . . 35 LEU HD23 . 30285 1 428 . 1 1 35 35 LEU CA C 13 53.924 0.051 . 1 . . . . . 35 LEU CA . 30285 1 429 . 1 1 35 35 LEU CB C 13 44.125 0.051 . 1 . . . . . 35 LEU CB . 30285 1 430 . 1 1 35 35 LEU CG C 13 25.842 0.051 . 1 . . . . . 35 LEU CG . 30285 1 431 . 1 1 35 35 LEU CD1 C 13 22.825 0.051 . 1 . . . . . 35 LEU CD1 . 30285 1 432 . 1 1 35 35 LEU CD2 C 13 25.746 0.051 . 1 . . . . . 35 LEU CD2 . 30285 1 433 . 1 1 35 35 LEU N N 15 120.077 0.054 . 1 . . . . . 35 LEU N . 30285 1 434 . 1 1 36 36 LYS H H 1 8.637 0.011 . 1 . . . . . 36 LYS H . 30285 1 435 . 1 1 36 36 LYS HA H 1 4.907 0.011 . 1 . . . . . 36 LYS HA . 30285 1 436 . 1 1 36 36 LYS HB2 H 1 1.735 0.011 . 1 . . . . . 36 LYS HB2 . 30285 1 437 . 1 1 36 36 LYS HB3 H 1 1.735 0.011 . 1 . . . . . 36 LYS HB3 . 30285 1 438 . 1 1 36 36 LYS HG2 H 1 1.381 0.011 . 1 . . . . . 36 LYS HG2 . 30285 1 439 . 1 1 36 36 LYS HG3 H 1 1.329 0.011 . 1 . . . . . 36 LYS HG3 . 30285 1 440 . 1 1 36 36 LYS HD2 H 1 1.580 0.011 . 1 . . . . . 36 LYS HD2 . 30285 1 441 . 1 1 36 36 LYS HD3 H 1 1.580 0.011 . 1 . . . . . 36 LYS HD3 . 30285 1 442 . 1 1 36 36 LYS HE2 H 1 2.904 0.011 . 1 . . . . . 36 LYS HE2 . 30285 1 443 . 1 1 36 36 LYS HE3 H 1 2.904 0.011 . 1 . . . . . 36 LYS HE3 . 30285 1 444 . 1 1 36 36 LYS CA C 13 52.462 0.051 . 1 . . . . . 36 LYS CA . 30285 1 445 . 1 1 36 36 LYS CB C 13 34.792 0.051 . 1 . . . . . 36 LYS CB . 30285 1 446 . 1 1 36 36 LYS CG C 13 24.042 0.051 . 1 . . . . . 36 LYS CG . 30285 1 447 . 1 1 36 36 LYS CD C 13 28.826 0.051 . 1 . . . . . 36 LYS CD . 30285 1 448 . 1 1 36 36 LYS CE C 13 42.093 0.051 . 1 . . . . . 36 LYS CE . 30285 1 449 . 1 1 36 36 LYS N N 15 120.220 0.054 . 1 . . . . . 36 LYS N . 30285 1 450 . 1 1 37 37 PRO HA H 1 5.263 0.011 . 1 . . . . . 37 PRO HA . 30285 1 451 . 1 1 37 37 PRO HB2 H 1 1.897 0.011 . 1 . . . . . 37 PRO HB2 . 30285 1 452 . 1 1 37 37 PRO HB3 H 1 1.879 0.011 . 1 . . . . . 37 PRO HB3 . 30285 1 453 . 1 1 37 37 PRO HG2 H 1 2.139 0.011 . 1 . . . . . 37 PRO HG2 . 30285 1 454 . 1 1 37 37 PRO HG3 H 1 1.704 0.011 . 1 . . . . . 37 PRO HG3 . 30285 1 455 . 1 1 37 37 PRO HD2 H 1 3.654 0.011 . 1 . . . . . 37 PRO HD2 . 30285 1 456 . 1 1 37 37 PRO HD3 H 1 3.751 0.011 . 1 . . . . . 37 PRO HD3 . 30285 1 457 . 1 1 37 37 PRO CA C 13 61.361 0.051 . 1 . . . . . 37 PRO CA . 30285 1 458 . 1 1 37 37 PRO CB C 13 32.162 0.051 . 1 . . . . . 37 PRO CB . 30285 1 459 . 1 1 37 37 PRO CG C 13 27.590 0.051 . 1 . . . . . 37 PRO CG . 30285 1 460 . 1 1 37 37 PRO CD C 13 50.227 0.051 . 1 . . . . . 37 PRO CD . 30285 1 461 . 1 1 38 38 VAL H H 1 9.074 0.011 . 1 . . . . . 38 VAL H . 30285 1 462 . 1 1 38 38 VAL HA H 1 4.163 0.011 . 1 . . . . . 38 VAL HA . 30285 1 463 . 1 1 38 38 VAL HB H 1 1.941 0.011 . 1 . . . . . 38 VAL HB . 30285 1 464 . 1 1 38 38 VAL HG11 H 1 0.759 0.011 . 1 . . . . . 38 VAL HG11 . 30285 1 465 . 1 1 38 38 VAL HG12 H 1 0.759 0.011 . 1 . . . . . 38 VAL HG12 . 30285 1 466 . 1 1 38 38 VAL HG13 H 1 0.759 0.011 . 1 . . . . . 38 VAL HG13 . 30285 1 467 . 1 1 38 38 VAL HG21 H 1 0.723 0.011 . 1 . . . . . 38 VAL HG21 . 30285 1 468 . 1 1 38 38 VAL HG22 H 1 0.723 0.011 . 1 . . . . . 38 VAL HG22 . 30285 1 469 . 1 1 38 38 VAL HG23 H 1 0.723 0.011 . 1 . . . . . 38 VAL HG23 . 30285 1 470 . 1 1 38 38 VAL CA C 13 60.772 0.051 . 1 . . . . . 38 VAL CA . 30285 1 471 . 1 1 38 38 VAL CB C 13 35.845 0.051 . 1 . . . . . 38 VAL CB . 30285 1 472 . 1 1 38 38 VAL CG1 C 13 21.463 0.051 . 1 . . . . . 38 VAL CG1 . 30285 1 473 . 1 1 38 38 VAL CG2 C 13 20.749 0.051 . 1 . . . . . 38 VAL CG2 . 30285 1 474 . 1 1 38 38 VAL N N 15 123.004 0.054 . 1 . . . . . 38 VAL N . 30285 1 475 . 1 1 39 39 LEU H H 1 8.206 0.011 . 1 . . . . . 39 LEU H . 30285 1 476 . 1 1 39 39 LEU HA H 1 5.043 0.011 . 1 . . . . . 39 LEU HA . 30285 1 477 . 1 1 39 39 LEU HB2 H 1 1.487 0.011 . 1 . . . . . 39 LEU HB2 . 30285 1 478 . 1 1 39 39 LEU HB3 H 1 1.490 0.011 . 1 . . . . . 39 LEU HB3 . 30285 1 479 . 1 1 39 39 LEU HG H 1 1.485 0.011 . 1 . . . . . 39 LEU HG . 30285 1 480 . 1 1 39 39 LEU HD11 H 1 0.880 0.011 . 1 . . . . . 39 LEU HD11 . 30285 1 481 . 1 1 39 39 LEU HD12 H 1 0.880 0.011 . 1 . . . . . 39 LEU HD12 . 30285 1 482 . 1 1 39 39 LEU HD13 H 1 0.880 0.011 . 1 . . . . . 39 LEU HD13 . 30285 1 483 . 1 1 39 39 LEU HD21 H 1 0.912 0.011 . 1 . . . . . 39 LEU HD21 . 30285 1 484 . 1 1 39 39 LEU HD22 H 1 0.912 0.011 . 1 . . . . . 39 LEU HD22 . 30285 1 485 . 1 1 39 39 LEU HD23 H 1 0.912 0.011 . 1 . . . . . 39 LEU HD23 . 30285 1 486 . 1 1 39 39 LEU CA C 13 53.493 0.051 . 1 . . . . . 39 LEU CA . 30285 1 487 . 1 1 39 39 LEU CB C 13 43.791 0.051 . 1 . . . . . 39 LEU CB . 30285 1 488 . 1 1 39 39 LEU CG C 13 27.001 0.051 . 1 . . . . . 39 LEU CG . 30285 1 489 . 1 1 39 39 LEU CD1 C 13 23.918 0.051 . 1 . . . . . 39 LEU CD1 . 30285 1 490 . 1 1 39 39 LEU CD2 C 13 24.597 0.051 . 1 . . . . . 39 LEU CD2 . 30285 1 491 . 1 1 39 39 LEU N N 15 124.017 0.054 . 1 . . . . . 39 LEU N . 30285 1 492 . 1 1 40 40 ASP H H 1 9.159 0.011 . 1 . . . . . 40 ASP H . 30285 1 493 . 1 1 40 40 ASP HA H 1 5.030 0.011 . 1 . . . . . 40 ASP HA . 30285 1 494 . 1 1 40 40 ASP HB2 H 1 2.720 0.011 . 1 . . . . . 40 ASP HB2 . 30285 1 495 . 1 1 40 40 ASP HB3 H 1 2.546 0.011 . 1 . . . . . 40 ASP HB3 . 30285 1 496 . 1 1 40 40 ASP CA C 13 52.618 0.051 . 1 . . . . . 40 ASP CA . 30285 1 497 . 1 1 40 40 ASP CB C 13 45.050 0.051 . 1 . . . . . 40 ASP CB . 30285 1 498 . 1 1 40 40 ASP N N 15 125.057 0.054 . 1 . . . . . 40 ASP N . 30285 1 499 . 1 1 41 41 SER H H 1 9.267 0.011 . 1 . . . . . 41 SER H . 30285 1 500 . 1 1 41 41 SER HA H 1 4.788 0.011 . 1 . . . . . 41 SER HA . 30285 1 501 . 1 1 41 41 SER HB2 H 1 3.596 0.011 . 1 . . . . . 41 SER HB2 . 30285 1 502 . 1 1 41 41 SER HB3 H 1 3.720 0.011 . 1 . . . . . 41 SER HB3 . 30285 1 503 . 1 1 41 41 SER CA C 13 58.212 0.051 . 1 . . . . . 41 SER CA . 30285 1 504 . 1 1 41 41 SER CB C 13 63.358 0.051 . 1 . . . . . 41 SER CB . 30285 1 505 . 1 1 41 41 SER N N 15 117.210 0.054 . 1 . . . . . 41 SER N . 30285 1 506 . 1 1 42 42 TYR H H 1 8.688 0.011 . 1 . . . . . 42 TYR H . 30285 1 507 . 1 1 42 42 TYR HA H 1 3.496 0.011 . 1 . . . . . 42 TYR HA . 30285 1 508 . 1 1 42 42 TYR HB2 H 1 1.572 0.011 . 1 . . . . . 42 TYR HB2 . 30285 1 509 . 1 1 42 42 TYR HB3 H 1 2.185 0.011 . 1 . . . . . 42 TYR HB3 . 30285 1 510 . 1 1 42 42 TYR HD1 H 1 6.903 0.011 . 1 . . . . . 42 TYR HD1 . 30285 1 511 . 1 1 42 42 TYR HD2 H 1 6.903 0.011 . 1 . . . . . 42 TYR HD2 . 30285 1 512 . 1 1 42 42 TYR HE1 H 1 5.683 0.011 . 1 . . . . . 42 TYR HE1 . 30285 1 513 . 1 1 42 42 TYR HE2 H 1 5.683 0.011 . 1 . . . . . 42 TYR HE2 . 30285 1 514 . 1 1 42 42 TYR CA C 13 57.878 0.051 . 1 . . . . . 42 TYR CA . 30285 1 515 . 1 1 42 42 TYR CB C 13 40.362 0.051 . 1 . . . . . 42 TYR CB . 30285 1 516 . 1 1 42 42 TYR CE1 C 13 117.267 0.051 . 1 . . . . . 42 TYR CE1 . 30285 1 517 . 1 1 42 42 TYR CE2 C 13 117.267 0.051 . 1 . . . . . 42 TYR CE2 . 30285 1 518 . 1 1 42 42 TYR N N 15 130.179 0.054 . 1 . . . . . 42 TYR N . 30285 1 519 . 1 1 43 43 VAL H H 1 6.383 0.011 . 1 . . . . . 43 VAL H . 30285 1 520 . 1 1 43 43 VAL HA H 1 4.299 0.011 . 1 . . . . . 43 VAL HA . 30285 1 521 . 1 1 43 43 VAL HB H 1 1.554 0.011 . 1 . . . . . 43 VAL HB . 30285 1 522 . 1 1 43 43 VAL HG11 H 1 0.782 0.011 . 1 . . . . . 43 VAL HG11 . 30285 1 523 . 1 1 43 43 VAL HG12 H 1 0.782 0.011 . 1 . . . . . 43 VAL HG12 . 30285 1 524 . 1 1 43 43 VAL HG13 H 1 0.782 0.011 . 1 . . . . . 43 VAL HG13 . 30285 1 525 . 1 1 43 43 VAL HG21 H 1 0.725 0.011 . 1 . . . . . 43 VAL HG21 . 30285 1 526 . 1 1 43 43 VAL HG22 H 1 0.725 0.011 . 1 . . . . . 43 VAL HG22 . 30285 1 527 . 1 1 43 43 VAL HG23 H 1 0.725 0.011 . 1 . . . . . 43 VAL HG23 . 30285 1 528 . 1 1 43 43 VAL CA C 13 61.185 0.051 . 1 . . . . . 43 VAL CA . 30285 1 529 . 1 1 43 43 VAL CB C 13 32.097 0.051 . 1 . . . . . 43 VAL CB . 30285 1 530 . 1 1 43 43 VAL CG1 C 13 20.744 0.051 . 1 . . . . . 43 VAL CG1 . 30285 1 531 . 1 1 43 43 VAL CG2 C 13 20.947 0.051 . 1 . . . . . 43 VAL CG2 . 30285 1 532 . 1 1 43 43 VAL N N 15 125.865 0.054 . 1 . . . . . 43 VAL N . 30285 1 533 . 1 1 44 44 PHE H H 1 8.748 0.011 . 1 . . . . . 44 PHE H . 30285 1 534 . 1 1 44 44 PHE HA H 1 4.367 0.011 . 1 . . . . . 44 PHE HA . 30285 1 535 . 1 1 44 44 PHE HB2 H 1 3.270 0.011 . 1 . . . . . 44 PHE HB2 . 30285 1 536 . 1 1 44 44 PHE HB3 H 1 3.061 0.011 . 1 . . . . . 44 PHE HB3 . 30285 1 537 . 1 1 44 44 PHE HD1 H 1 7.379 0.011 . 1 . . . . . 44 PHE HD1 . 30285 1 538 . 1 1 44 44 PHE HD2 H 1 7.379 0.011 . 1 . . . . . 44 PHE HD2 . 30285 1 539 . 1 1 44 44 PHE HE1 H 1 7.148 0.011 . 1 . . . . . 44 PHE HE1 . 30285 1 540 . 1 1 44 44 PHE HE2 H 1 7.148 0.011 . 1 . . . . . 44 PHE HE2 . 30285 1 541 . 1 1 44 44 PHE HZ H 1 7.000 0.011 . 1 . . . . . 44 PHE HZ . 30285 1 542 . 1 1 44 44 PHE CA C 13 58.050 0.051 . 1 . . . . . 44 PHE CA . 30285 1 543 . 1 1 44 44 PHE CB C 13 40.102 0.051 . 1 . . . . . 44 PHE CB . 30285 1 544 . 1 1 44 44 PHE CD1 C 13 132.526 0.051 . 1 . . . . . 44 PHE CD1 . 30285 1 545 . 1 1 44 44 PHE CD2 C 13 132.526 0.051 . 1 . . . . . 44 PHE CD2 . 30285 1 546 . 1 1 44 44 PHE CE1 C 13 131.055 0.051 . 1 . . . . . 44 PHE CE1 . 30285 1 547 . 1 1 44 44 PHE CE2 C 13 131.055 0.051 . 1 . . . . . 44 PHE CE2 . 30285 1 548 . 1 1 44 44 PHE CZ C 13 128.971 0.051 . 1 . . . . . 44 PHE CZ . 30285 1 549 . 1 1 44 44 PHE N N 15 125.594 0.054 . 1 . . . . . 44 PHE N . 30285 1 550 . 1 1 45 45 ASN H H 1 9.047 0.011 . 1 . . . . . 45 ASN H . 30285 1 551 . 1 1 45 45 ASN HA H 1 4.386 0.011 . 1 . . . . . 45 ASN HA . 30285 1 552 . 1 1 45 45 ASN HB2 H 1 2.891 0.011 . 1 . . . . . 45 ASN HB2 . 30285 1 553 . 1 1 45 45 ASN HB3 H 1 2.899 0.011 . 1 . . . . . 45 ASN HB3 . 30285 1 554 . 1 1 45 45 ASN HD21 H 1 7.686 0.011 . 1 . . . . . 45 ASN HD21 . 30285 1 555 . 1 1 45 45 ASN HD22 H 1 6.979 0.011 . 1 . . . . . 45 ASN HD22 . 30285 1 556 . 1 1 45 45 ASN CA C 13 55.926 0.051 . 1 . . . . . 45 ASN CA . 30285 1 557 . 1 1 45 45 ASN CB C 13 37.908 0.051 . 1 . . . . . 45 ASN CB . 30285 1 558 . 1 1 45 45 ASN N N 15 119.723 0.054 . 1 . . . . . 45 ASN N . 30285 1 559 . 1 1 45 45 ASN ND2 N 15 112.810 0.054 . 1 . . . . . 45 ASN ND2 . 30285 1 560 . 1 1 46 46 ASP H H 1 7.782 0.011 . 1 . . . . . 46 ASP H . 30285 1 561 . 1 1 46 46 ASP HA H 1 4.529 0.011 . 1 . . . . . 46 ASP HA . 30285 1 562 . 1 1 46 46 ASP HB2 H 1 3.054 0.011 . 1 . . . . . 46 ASP HB2 . 30285 1 563 . 1 1 46 46 ASP HB3 H 1 2.575 0.011 . 1 . . . . . 46 ASP HB3 . 30285 1 564 . 1 1 46 46 ASP CA C 13 53.140 0.051 . 1 . . . . . 46 ASP CA . 30285 1 565 . 1 1 46 46 ASP CB C 13 39.843 0.051 . 1 . . . . . 46 ASP CB . 30285 1 566 . 1 1 46 46 ASP N N 15 116.022 0.054 . 1 . . . . . 46 ASP N . 30285 1 567 . 1 1 47 47 GLY H H 1 8.172 0.011 . 1 . . . . . 47 GLY H . 30285 1 568 . 1 1 47 47 GLY HA2 H 1 4.290 0.011 . 1 . . . . . 47 GLY HA2 . 30285 1 569 . 1 1 47 47 GLY HA3 H 1 3.509 0.011 . 1 . . . . . 47 GLY HA3 . 30285 1 570 . 1 1 47 47 GLY CA C 13 44.997 0.051 . 1 . . . . . 47 GLY CA . 30285 1 571 . 1 1 47 47 GLY N N 15 109.215 0.054 . 1 . . . . . 47 GLY N . 30285 1 572 . 1 1 48 48 SER H H 1 8.238 0.011 . 1 . . . . . 48 SER H . 30285 1 573 . 1 1 48 48 SER HA H 1 4.435 0.011 . 1 . . . . . 48 SER HA . 30285 1 574 . 1 1 48 48 SER HB2 H 1 3.863 0.011 . 1 . . . . . 48 SER HB2 . 30285 1 575 . 1 1 48 48 SER HB3 H 1 3.978 0.011 . 1 . . . . . 48 SER HB3 . 30285 1 576 . 1 1 48 48 SER CA C 13 58.640 0.051 . 1 . . . . . 48 SER CA . 30285 1 577 . 1 1 48 48 SER CB C 13 64.304 0.051 . 1 . . . . . 48 SER CB . 30285 1 578 . 1 1 48 48 SER N N 15 118.502 0.054 . 1 . . . . . 48 SER N . 30285 1 579 . 1 1 49 49 SER H H 1 8.452 0.011 . 1 . . . . . 49 SER H . 30285 1 580 . 1 1 49 49 SER HA H 1 5.885 0.011 . 1 . . . . . 49 SER HA . 30285 1 581 . 1 1 49 49 SER HB2 H 1 3.627 0.011 . 1 . . . . . 49 SER HB2 . 30285 1 582 . 1 1 49 49 SER HB3 H 1 3.643 0.011 . 1 . . . . . 49 SER HB3 . 30285 1 583 . 1 1 49 49 SER CA C 13 56.576 0.051 . 1 . . . . . 49 SER CA . 30285 1 584 . 1 1 49 49 SER CB C 13 66.778 0.051 . 1 . . . . . 49 SER CB . 30285 1 585 . 1 1 49 49 SER N N 15 112.809 0.054 . 1 . . . . . 49 SER N . 30285 1 586 . 1 1 50 50 ARG H H 1 8.615 0.011 . 1 . . . . . 50 ARG H . 30285 1 587 . 1 1 50 50 ARG HA H 1 4.669 0.011 . 1 . . . . . 50 ARG HA . 30285 1 588 . 1 1 50 50 ARG HB2 H 1 1.884 0.011 . 1 . . . . . 50 ARG HB2 . 30285 1 589 . 1 1 50 50 ARG HB3 H 1 1.884 0.011 . 1 . . . . . 50 ARG HB3 . 30285 1 590 . 1 1 50 50 ARG HG2 H 1 1.697 0.011 . 1 . . . . . 50 ARG HG2 . 30285 1 591 . 1 1 50 50 ARG HG3 H 1 1.702 0.011 . 1 . . . . . 50 ARG HG3 . 30285 1 592 . 1 1 50 50 ARG HD2 H 1 3.284 0.011 . 1 . . . . . 50 ARG HD2 . 30285 1 593 . 1 1 50 50 ARG HD3 H 1 3.101 0.011 . 1 . . . . . 50 ARG HD3 . 30285 1 594 . 1 1 50 50 ARG CA C 13 54.993 0.051 . 1 . . . . . 50 ARG CA . 30285 1 595 . 1 1 50 50 ARG CB C 13 34.628 0.051 . 1 . . . . . 50 ARG CB . 30285 1 596 . 1 1 50 50 ARG CG C 13 26.972 0.051 . 1 . . . . . 50 ARG CG . 30285 1 597 . 1 1 50 50 ARG CD C 13 43.416 0.051 . 1 . . . . . 50 ARG CD . 30285 1 598 . 1 1 50 50 ARG N N 15 121.079 0.054 . 1 . . . . . 50 ARG N . 30285 1 599 . 1 1 51 51 GLU H H 1 8.613 0.011 . 1 . . . . . 51 GLU H . 30285 1 600 . 1 1 51 51 GLU HA H 1 4.805 0.011 . 1 . . . . . 51 GLU HA . 30285 1 601 . 1 1 51 51 GLU HB2 H 1 1.988 0.011 . 1 . . . . . 51 GLU HB2 . 30285 1 602 . 1 1 51 51 GLU HB3 H 1 1.989 0.011 . 1 . . . . . 51 GLU HB3 . 30285 1 603 . 1 1 51 51 GLU HG2 H 1 2.129 0.011 . 1 . . . . . 51 GLU HG2 . 30285 1 604 . 1 1 51 51 GLU HG3 H 1 2.173 0.011 . 1 . . . . . 51 GLU HG3 . 30285 1 605 . 1 1 51 51 GLU CA C 13 56.685 0.051 . 1 . . . . . 51 GLU CA . 30285 1 606 . 1 1 51 51 GLU CB C 13 30.065 0.051 . 1 . . . . . 51 GLU CB . 30285 1 607 . 1 1 51 51 GLU CG C 13 37.148 0.051 . 1 . . . . . 51 GLU CG . 30285 1 608 . 1 1 51 51 GLU N N 15 124.540 0.054 . 1 . . . . . 51 GLU N . 30285 1 609 . 1 1 52 52 LEU H H 1 9.174 0.011 . 1 . . . . . 52 LEU H . 30285 1 610 . 1 1 52 52 LEU HA H 1 5.110 0.011 . 1 . . . . . 52 LEU HA . 30285 1 611 . 1 1 52 52 LEU HB2 H 1 1.848 0.011 . 1 . . . . . 52 LEU HB2 . 30285 1 612 . 1 1 52 52 LEU HB3 H 1 1.982 0.011 . 1 . . . . . 52 LEU HB3 . 30285 1 613 . 1 1 52 52 LEU HG H 1 1.642 0.011 . 1 . . . . . 52 LEU HG . 30285 1 614 . 1 1 52 52 LEU HD11 H 1 1.115 0.011 . 1 . . . . . 52 LEU HD11 . 30285 1 615 . 1 1 52 52 LEU HD12 H 1 1.115 0.011 . 1 . . . . . 52 LEU HD12 . 30285 1 616 . 1 1 52 52 LEU HD13 H 1 1.115 0.011 . 1 . . . . . 52 LEU HD13 . 30285 1 617 . 1 1 52 52 LEU HD21 H 1 0.619 0.011 . 1 . . . . . 52 LEU HD21 . 30285 1 618 . 1 1 52 52 LEU HD22 H 1 0.619 0.011 . 1 . . . . . 52 LEU HD22 . 30285 1 619 . 1 1 52 52 LEU HD23 H 1 0.619 0.011 . 1 . . . . . 52 LEU HD23 . 30285 1 620 . 1 1 52 52 LEU CA C 13 53.251 0.051 . 1 . . . . . 52 LEU CA . 30285 1 621 . 1 1 52 52 LEU CB C 13 47.215 0.051 . 1 . . . . . 52 LEU CB . 30285 1 622 . 1 1 52 52 LEU CG C 13 26.965 0.051 . 1 . . . . . 52 LEU CG . 30285 1 623 . 1 1 52 52 LEU CD1 C 13 22.449 0.051 . 1 . . . . . 52 LEU CD1 . 30285 1 624 . 1 1 52 52 LEU CD2 C 13 26.545 0.051 . 1 . . . . . 52 LEU CD2 . 30285 1 625 . 1 1 52 52 LEU N N 15 128.265 0.054 . 1 . . . . . 52 LEU N . 30285 1 626 . 1 1 53 53 MET H H 1 9.019 0.011 . 1 . . . . . 53 MET H . 30285 1 627 . 1 1 53 53 MET HA H 1 5.001 0.011 . 1 . . . . . 53 MET HA . 30285 1 628 . 1 1 53 53 MET HB2 H 1 1.482 0.011 . 1 . . . . . 53 MET HB2 . 30285 1 629 . 1 1 53 53 MET HB3 H 1 1.957 0.011 . 1 . . . . . 53 MET HB3 . 30285 1 630 . 1 1 53 53 MET HG2 H 1 2.133 0.011 . 1 . . . . . 53 MET HG2 . 30285 1 631 . 1 1 53 53 MET HG3 H 1 1.944 0.011 . 1 . . . . . 53 MET HG3 . 30285 1 632 . 1 1 53 53 MET HE1 H 1 1.645 0.011 . 1 . . . . . 53 MET HE1 . 30285 1 633 . 1 1 53 53 MET HE2 H 1 1.645 0.011 . 1 . . . . . 53 MET HE2 . 30285 1 634 . 1 1 53 53 MET HE3 H 1 1.645 0.011 . 1 . . . . . 53 MET HE3 . 30285 1 635 . 1 1 53 53 MET CA C 13 55.115 0.051 . 1 . . . . . 53 MET CA . 30285 1 636 . 1 1 53 53 MET CB C 13 34.740 0.051 . 1 . . . . . 53 MET CB . 30285 1 637 . 1 1 53 53 MET CG C 13 32.010 0.051 . 1 . . . . . 53 MET CG . 30285 1 638 . 1 1 53 53 MET CE C 13 18.034 0.051 . 1 . . . . . 53 MET CE . 30285 1 639 . 1 1 53 53 MET N N 15 120.879 0.054 . 1 . . . . . 53 MET N . 30285 1 640 . 1 1 54 54 ASN H H 1 9.125 0.011 . 1 . . . . . 54 ASN H . 30285 1 641 . 1 1 54 54 ASN HA H 1 5.226 0.011 . 1 . . . . . 54 ASN HA . 30285 1 642 . 1 1 54 54 ASN HB2 H 1 1.393 0.011 . 1 . . . . . 54 ASN HB2 . 30285 1 643 . 1 1 54 54 ASN HB3 H 1 1.393 0.011 . 1 . . . . . 54 ASN HB3 . 30285 1 644 . 1 1 54 54 ASN HD21 H 1 6.950 0.011 . 1 . . . . . 54 ASN HD21 . 30285 1 645 . 1 1 54 54 ASN HD22 H 1 7.275 0.011 . 1 . . . . . 54 ASN HD22 . 30285 1 646 . 1 1 54 54 ASN CA C 13 50.396 0.051 . 1 . . . . . 54 ASN CA . 30285 1 647 . 1 1 54 54 ASN CB C 13 41.494 0.051 . 1 . . . . . 54 ASN CB . 30285 1 648 . 1 1 54 54 ASN N N 15 122.928 0.054 . 1 . . . . . 54 ASN N . 30285 1 649 . 1 1 54 54 ASN ND2 N 15 113.698 0.054 . 1 . . . . . 54 ASN ND2 . 30285 1 650 . 1 1 55 55 LEU H H 1 8.493 0.011 . 1 . . . . . 55 LEU H . 30285 1 651 . 1 1 55 55 LEU HA H 1 4.840 0.011 . 1 . . . . . 55 LEU HA . 30285 1 652 . 1 1 55 55 LEU HB2 H 1 0.979 0.011 . 1 . . . . . 55 LEU HB2 . 30285 1 653 . 1 1 55 55 LEU HB3 H 1 1.542 0.011 . 1 . . . . . 55 LEU HB3 . 30285 1 654 . 1 1 55 55 LEU HG H 1 1.437 0.011 . 1 . . . . . 55 LEU HG . 30285 1 655 . 1 1 55 55 LEU HD11 H 1 0.615 0.011 . 1 . . . . . 55 LEU HD11 . 30285 1 656 . 1 1 55 55 LEU HD12 H 1 0.615 0.011 . 1 . . . . . 55 LEU HD12 . 30285 1 657 . 1 1 55 55 LEU HD13 H 1 0.615 0.011 . 1 . . . . . 55 LEU HD13 . 30285 1 658 . 1 1 55 55 LEU HD21 H 1 0.726 0.011 . 1 . . . . . 55 LEU HD21 . 30285 1 659 . 1 1 55 55 LEU HD22 H 1 0.726 0.011 . 1 . . . . . 55 LEU HD22 . 30285 1 660 . 1 1 55 55 LEU HD23 H 1 0.726 0.011 . 1 . . . . . 55 LEU HD23 . 30285 1 661 . 1 1 55 55 LEU CA C 13 53.195 0.051 . 1 . . . . . 55 LEU CA . 30285 1 662 . 1 1 55 55 LEU CB C 13 43.593 0.051 . 1 . . . . . 55 LEU CB . 30285 1 663 . 1 1 55 55 LEU CG C 13 27.490 0.051 . 1 . . . . . 55 LEU CG . 30285 1 664 . 1 1 55 55 LEU CD1 C 13 24.275 0.051 . 1 . . . . . 55 LEU CD1 . 30285 1 665 . 1 1 55 55 LEU CD2 C 13 25.736 0.051 . 1 . . . . . 55 LEU CD2 . 30285 1 666 . 1 1 55 55 LEU N N 15 119.424 0.054 . 1 . . . . . 55 LEU N . 30285 1 667 . 1 1 56 56 THR H H 1 8.474 0.011 . 1 . . . . . 56 THR H . 30285 1 668 . 1 1 56 56 THR HA H 1 5.034 0.011 . 1 . . . . . 56 THR HA . 30285 1 669 . 1 1 56 56 THR HB H 1 3.887 0.011 . 1 . . . . . 56 THR HB . 30285 1 670 . 1 1 56 56 THR HG21 H 1 1.025 0.011 . 1 . . . . . 56 THR HG21 . 30285 1 671 . 1 1 56 56 THR HG22 H 1 1.025 0.011 . 1 . . . . . 56 THR HG22 . 30285 1 672 . 1 1 56 56 THR HG23 H 1 1.025 0.011 . 1 . . . . . 56 THR HG23 . 30285 1 673 . 1 1 56 56 THR CA C 13 59.433 0.051 . 1 . . . . . 56 THR CA . 30285 1 674 . 1 1 56 56 THR CB C 13 71.261 0.051 . 1 . . . . . 56 THR CB . 30285 1 675 . 1 1 56 56 THR CG2 C 13 20.081 0.051 . 1 . . . . . 56 THR CG2 . 30285 1 676 . 1 1 56 56 THR N N 15 116.190 0.054 . 1 . . . . . 56 THR N . 30285 1 677 . 1 1 57 57 GLY H H 1 7.937 0.011 . 1 . . . . . 57 GLY H . 30285 1 678 . 1 1 57 57 GLY HA2 H 1 5.498 0.011 . 1 . . . . . 57 GLY HA2 . 30285 1 679 . 1 1 57 57 GLY HA3 H 1 3.784 0.011 . 1 . . . . . 57 GLY HA3 . 30285 1 680 . 1 1 57 57 GLY CA C 13 44.408 0.051 . 1 . . . . . 57 GLY CA . 30285 1 681 . 1 1 57 57 GLY N N 15 115.174 0.054 . 1 . . . . . 57 GLY N . 30285 1 682 . 1 1 58 58 THR H H 1 7.506 0.011 . 1 . . . . . 58 THR H . 30285 1 683 . 1 1 58 58 THR HA H 1 5.536 0.011 . 1 . . . . . 58 THR HA . 30285 1 684 . 1 1 58 58 THR HB H 1 3.528 0.011 . 1 . . . . . 58 THR HB . 30285 1 685 . 1 1 58 58 THR HG21 H 1 0.818 0.011 . 1 . . . . . 58 THR HG21 . 30285 1 686 . 1 1 58 58 THR HG22 H 1 0.818 0.011 . 1 . . . . . 58 THR HG22 . 30285 1 687 . 1 1 58 58 THR HG23 H 1 0.818 0.011 . 1 . . . . . 58 THR HG23 . 30285 1 688 . 1 1 58 58 THR CA C 13 58.928 0.051 . 1 . . . . . 58 THR CA . 30285 1 689 . 1 1 58 58 THR CB C 13 71.914 0.051 . 1 . . . . . 58 THR CB . 30285 1 690 . 1 1 58 58 THR CG2 C 13 20.356 0.051 . 1 . . . . . 58 THR CG2 . 30285 1 691 . 1 1 58 58 THR N N 15 111.915 0.054 . 1 . . . . . 58 THR N . 30285 1 692 . 1 1 59 59 ILE H H 1 7.902 0.011 . 1 . . . . . 59 ILE H . 30285 1 693 . 1 1 59 59 ILE HA H 1 4.800 0.011 . 1 . . . . . 59 ILE HA . 30285 1 694 . 1 1 59 59 ILE HB H 1 1.420 0.011 . 1 . . . . . 59 ILE HB . 30285 1 695 . 1 1 59 59 ILE HG12 H 1 1.036 0.011 . 1 . . . . . 59 ILE HG12 . 30285 1 696 . 1 1 59 59 ILE HG13 H 1 1.624 0.011 . 1 . . . . . 59 ILE HG13 . 30285 1 697 . 1 1 59 59 ILE HG21 H 1 0.640 0.011 . 1 . . . . . 59 ILE HG21 . 30285 1 698 . 1 1 59 59 ILE HG22 H 1 0.640 0.011 . 1 . . . . . 59 ILE HG22 . 30285 1 699 . 1 1 59 59 ILE HG23 H 1 0.640 0.011 . 1 . . . . . 59 ILE HG23 . 30285 1 700 . 1 1 59 59 ILE HD11 H 1 0.688 0.011 . 1 . . . . . 59 ILE HD11 . 30285 1 701 . 1 1 59 59 ILE HD12 H 1 0.688 0.011 . 1 . . . . . 59 ILE HD12 . 30285 1 702 . 1 1 59 59 ILE HD13 H 1 0.688 0.011 . 1 . . . . . 59 ILE HD13 . 30285 1 703 . 1 1 59 59 ILE CA C 13 57.011 0.051 . 1 . . . . . 59 ILE CA . 30285 1 704 . 1 1 59 59 ILE CB C 13 40.003 0.051 . 1 . . . . . 59 ILE CB . 30285 1 705 . 1 1 59 59 ILE CG2 C 13 19.031 0.051 . 1 . . . . . 59 ILE CG2 . 30285 1 706 . 1 1 59 59 ILE CD1 C 13 14.028 0.051 . 1 . . . . . 59 ILE CD1 . 30285 1 707 . 1 1 59 59 ILE N N 15 110.433 0.054 . 1 . . . . . 59 ILE N . 30285 1 708 . 1 1 60 60 PRO HA H 1 4.925 0.011 . 1 . . . . . 60 PRO HA . 30285 1 709 . 1 1 60 60 PRO HB2 H 1 1.881 0.011 . 1 . . . . . 60 PRO HB2 . 30285 1 710 . 1 1 60 60 PRO HB3 H 1 1.939 0.011 . 1 . . . . . 60 PRO HB3 . 30285 1 711 . 1 1 60 60 PRO HG2 H 1 2.584 0.011 . 1 . . . . . 60 PRO HG2 . 30285 1 712 . 1 1 60 60 PRO HG3 H 1 2.280 0.011 . 1 . . . . . 60 PRO HG3 . 30285 1 713 . 1 1 60 60 PRO HD2 H 1 3.956 0.011 . 1 . . . . . 60 PRO HD2 . 30285 1 714 . 1 1 60 60 PRO HD3 H 1 3.643 0.011 . 1 . . . . . 60 PRO HD3 . 30285 1 715 . 1 1 60 60 PRO CA C 13 61.573 0.051 . 1 . . . . . 60 PRO CA . 30285 1 716 . 1 1 60 60 PRO CB C 13 31.188 0.051 . 1 . . . . . 60 PRO CB . 30285 1 717 . 1 1 60 60 PRO CG C 13 27.005 0.051 . 1 . . . . . 60 PRO CG . 30285 1 718 . 1 1 60 60 PRO CD C 13 50.049 0.051 . 1 . . . . . 60 PRO CD . 30285 1 719 . 1 1 61 61 VAL H H 1 9.192 0.011 . 1 . . . . . 61 VAL H . 30285 1 720 . 1 1 61 61 VAL HB H 1 2.198 0.011 . 1 . . . . . 61 VAL HB . 30285 1 721 . 1 1 61 61 VAL HG11 H 1 0.991 0.011 . 1 . . . . . 61 VAL HG11 . 30285 1 722 . 1 1 61 61 VAL HG12 H 1 0.991 0.011 . 1 . . . . . 61 VAL HG12 . 30285 1 723 . 1 1 61 61 VAL HG13 H 1 0.991 0.011 . 1 . . . . . 61 VAL HG13 . 30285 1 724 . 1 1 61 61 VAL HG21 H 1 0.994 0.011 . 1 . . . . . 61 VAL HG21 . 30285 1 725 . 1 1 61 61 VAL HG22 H 1 0.994 0.011 . 1 . . . . . 61 VAL HG22 . 30285 1 726 . 1 1 61 61 VAL HG23 H 1 0.994 0.011 . 1 . . . . . 61 VAL HG23 . 30285 1 727 . 1 1 61 61 VAL CB C 13 35.182 0.051 . 1 . . . . . 61 VAL CB . 30285 1 728 . 1 1 61 61 VAL CG2 C 13 20.990 0.051 . 1 . . . . . 61 VAL CG2 . 30285 1 729 . 1 1 61 61 VAL N N 15 124.707 0.054 . 1 . . . . . 61 VAL N . 30285 1 730 . 1 1 62 62 PRO HA H 1 5.019 0.011 . 1 . . . . . 62 PRO HA . 30285 1 731 . 1 1 62 62 PRO HB2 H 1 2.199 0.011 . 1 . . . . . 62 PRO HB2 . 30285 1 732 . 1 1 62 62 PRO HB3 H 1 1.953 0.011 . 1 . . . . . 62 PRO HB3 . 30285 1 733 . 1 1 62 62 PRO HG2 H 1 2.224 0.011 . 1 . . . . . 62 PRO HG2 . 30285 1 734 . 1 1 62 62 PRO HG3 H 1 1.954 0.011 . 1 . . . . . 62 PRO HG3 . 30285 1 735 . 1 1 62 62 PRO HD2 H 1 3.867 0.011 . 1 . . . . . 62 PRO HD2 . 30285 1 736 . 1 1 62 62 PRO HD3 H 1 3.876 0.011 . 1 . . . . . 62 PRO HD3 . 30285 1 737 . 1 1 62 62 PRO CA C 13 62.173 0.051 . 1 . . . . . 62 PRO CA . 30285 1 738 . 1 1 62 62 PRO CB C 13 31.900 0.051 . 1 . . . . . 62 PRO CB . 30285 1 739 . 1 1 62 62 PRO CG C 13 27.367 0.051 . 1 . . . . . 62 PRO CG . 30285 1 740 . 1 1 62 62 PRO CD C 13 51.377 0.051 . 1 . . . . . 62 PRO CD . 30285 1 741 . 1 1 63 63 TYR H H 1 9.031 0.011 . 1 . . . . . 63 TYR H . 30285 1 742 . 1 1 63 63 TYR HA H 1 4.815 0.011 . 1 . . . . . 63 TYR HA . 30285 1 743 . 1 1 63 63 TYR HB2 H 1 2.757 0.011 . 1 . . . . . 63 TYR HB2 . 30285 1 744 . 1 1 63 63 TYR HB3 H 1 3.016 0.011 . 1 . . . . . 63 TYR HB3 . 30285 1 745 . 1 1 63 63 TYR HD1 H 1 7.249 0.011 . 1 . . . . . 63 TYR HD1 . 30285 1 746 . 1 1 63 63 TYR HD2 H 1 7.249 0.011 . 1 . . . . . 63 TYR HD2 . 30285 1 747 . 1 1 63 63 TYR HE1 H 1 6.782 0.011 . 1 . . . . . 63 TYR HE1 . 30285 1 748 . 1 1 63 63 TYR HE2 H 1 6.782 0.011 . 1 . . . . . 63 TYR HE2 . 30285 1 749 . 1 1 63 63 TYR CA C 13 58.436 0.051 . 1 . . . . . 63 TYR CA . 30285 1 750 . 1 1 63 63 TYR CB C 13 40.204 0.051 . 1 . . . . . 63 TYR CB . 30285 1 751 . 1 1 63 63 TYR CD1 C 13 133.914 0.051 . 1 . . . . . 63 TYR CD1 . 30285 1 752 . 1 1 63 63 TYR CD2 C 13 133.914 0.051 . 1 . . . . . 63 TYR CD2 . 30285 1 753 . 1 1 63 63 TYR CE1 C 13 117.966 0.051 . 1 . . . . . 63 TYR CE1 . 30285 1 754 . 1 1 63 63 TYR CE2 C 13 117.966 0.051 . 1 . . . . . 63 TYR CE2 . 30285 1 755 . 1 1 63 63 TYR N N 15 123.918 0.054 . 1 . . . . . 63 TYR N . 30285 1 756 . 1 1 64 64 ARG H H 1 9.273 0.011 . 1 . . . . . 64 ARG H . 30285 1 757 . 1 1 64 64 ARG HA H 1 3.647 0.011 . 1 . . . . . 64 ARG HA . 30285 1 758 . 1 1 64 64 ARG HB2 H 1 1.314 0.011 . 1 . . . . . 64 ARG HB2 . 30285 1 759 . 1 1 64 64 ARG HB3 H 1 1.746 0.011 . 1 . . . . . 64 ARG HB3 . 30285 1 760 . 1 1 64 64 ARG HG2 H 1 0.595 0.011 . 1 . . . . . 64 ARG HG2 . 30285 1 761 . 1 1 64 64 ARG HG3 H 1 0.972 0.011 . 1 . . . . . 64 ARG HG3 . 30285 1 762 . 1 1 64 64 ARG HD2 H 1 2.867 0.011 . 1 . . . . . 64 ARG HD2 . 30285 1 763 . 1 1 64 64 ARG HD3 H 1 2.913 0.011 . 1 . . . . . 64 ARG HD3 . 30285 1 764 . 1 1 64 64 ARG CA C 13 56.883 0.051 . 1 . . . . . 64 ARG CA . 30285 1 765 . 1 1 64 64 ARG CB C 13 28.080 0.051 . 1 . . . . . 64 ARG CB . 30285 1 766 . 1 1 64 64 ARG CG C 13 26.889 0.051 . 1 . . . . . 64 ARG CG . 30285 1 767 . 1 1 64 64 ARG CD C 13 43.532 0.051 . 1 . . . . . 64 ARG CD . 30285 1 768 . 1 1 64 64 ARG N N 15 126.810 0.054 . 1 . . . . . 64 ARG N . 30285 1 769 . 1 1 65 65 GLY H H 1 8.536 0.011 . 1 . . . . . 65 GLY H . 30285 1 770 . 1 1 65 65 GLY HA2 H 1 4.158 0.011 . 1 . . . . . 65 GLY HA2 . 30285 1 771 . 1 1 65 65 GLY HA3 H 1 3.567 0.011 . 1 . . . . . 65 GLY HA3 . 30285 1 772 . 1 1 65 65 GLY CA C 13 45.398 0.051 . 1 . . . . . 65 GLY CA . 30285 1 773 . 1 1 65 65 GLY N N 15 104.614 0.054 . 1 . . . . . 65 GLY N . 30285 1 774 . 1 1 66 66 ASN H H 1 7.878 0.011 . 1 . . . . . 66 ASN H . 30285 1 775 . 1 1 66 66 ASN HA H 1 5.025 0.011 . 1 . . . . . 66 ASN HA . 30285 1 776 . 1 1 66 66 ASN HB2 H 1 2.629 0.011 . 1 . . . . . 66 ASN HB2 . 30285 1 777 . 1 1 66 66 ASN HB3 H 1 2.601 0.011 . 1 . . . . . 66 ASN HB3 . 30285 1 778 . 1 1 66 66 ASN HD21 H 1 6.962 0.011 . 1 . . . . . 66 ASN HD21 . 30285 1 779 . 1 1 66 66 ASN HD22 H 1 7.387 0.011 . 1 . . . . . 66 ASN HD22 . 30285 1 780 . 1 1 66 66 ASN CA C 13 51.609 0.051 . 1 . . . . . 66 ASN CA . 30285 1 781 . 1 1 66 66 ASN CB C 13 42.036 0.051 . 1 . . . . . 66 ASN CB . 30285 1 782 . 1 1 66 66 ASN N N 15 119.163 0.054 . 1 . . . . . 66 ASN N . 30285 1 783 . 1 1 66 66 ASN ND2 N 15 113.992 0.054 . 1 . . . . . 66 ASN ND2 . 30285 1 784 . 1 1 67 67 THR H H 1 8.715 0.011 . 1 . . . . . 67 THR H . 30285 1 785 . 1 1 67 67 THR HA H 1 4.573 0.011 . 1 . . . . . 67 THR HA . 30285 1 786 . 1 1 67 67 THR HB H 1 3.834 0.011 . 1 . . . . . 67 THR HB . 30285 1 787 . 1 1 67 67 THR HG21 H 1 0.947 0.011 . 1 . . . . . 67 THR HG21 . 30285 1 788 . 1 1 67 67 THR HG22 H 1 0.947 0.011 . 1 . . . . . 67 THR HG22 . 30285 1 789 . 1 1 67 67 THR HG23 H 1 0.947 0.011 . 1 . . . . . 67 THR HG23 . 30285 1 790 . 1 1 67 67 THR CA C 13 63.108 0.051 . 1 . . . . . 67 THR CA . 30285 1 791 . 1 1 67 67 THR CB C 13 69.582 0.051 . 1 . . . . . 67 THR CB . 30285 1 792 . 1 1 67 67 THR CG2 C 13 22.081 0.051 . 1 . . . . . 67 THR CG2 . 30285 1 793 . 1 1 67 67 THR N N 15 118.384 0.054 . 1 . . . . . 67 THR N . 30285 1 794 . 1 1 68 68 TYR H H 1 9.136 0.011 . 1 . . . . . 68 TYR H . 30285 1 795 . 1 1 68 68 TYR HA H 1 4.612 0.011 . 1 . . . . . 68 TYR HA . 30285 1 796 . 1 1 68 68 TYR HB2 H 1 2.825 0.011 . 1 . . . . . 68 TYR HB2 . 30285 1 797 . 1 1 68 68 TYR HB3 H 1 2.894 0.011 . 1 . . . . . 68 TYR HB3 . 30285 1 798 . 1 1 68 68 TYR HD1 H 1 7.049 0.011 . 1 . . . . . 68 TYR HD1 . 30285 1 799 . 1 1 68 68 TYR HD2 H 1 7.049 0.011 . 1 . . . . . 68 TYR HD2 . 30285 1 800 . 1 1 68 68 TYR HE1 H 1 6.866 0.011 . 1 . . . . . 68 TYR HE1 . 30285 1 801 . 1 1 68 68 TYR HE2 H 1 6.866 0.011 . 1 . . . . . 68 TYR HE2 . 30285 1 802 . 1 1 68 68 TYR CA C 13 55.882 0.051 . 1 . . . . . 68 TYR CA . 30285 1 803 . 1 1 68 68 TYR CB C 13 39.975 0.051 . 1 . . . . . 68 TYR CB . 30285 1 804 . 1 1 68 68 TYR CD1 C 13 132.425 0.051 . 1 . . . . . 68 TYR CD1 . 30285 1 805 . 1 1 68 68 TYR CD2 C 13 132.425 0.051 . 1 . . . . . 68 TYR CD2 . 30285 1 806 . 1 1 68 68 TYR CE1 C 13 118.139 0.051 . 1 . . . . . 68 TYR CE1 . 30285 1 807 . 1 1 68 68 TYR CE2 C 13 118.139 0.051 . 1 . . . . . 68 TYR CE2 . 30285 1 808 . 1 1 68 68 TYR N N 15 128.972 0.054 . 1 . . . . . 68 TYR N . 30285 1 809 . 1 1 69 69 ASN H H 1 8.781 0.011 . 1 . . . . . 69 ASN H . 30285 1 810 . 1 1 69 69 ASN HA H 1 5.250 0.011 . 1 . . . . . 69 ASN HA . 30285 1 811 . 1 1 69 69 ASN HB2 H 1 2.695 0.011 . 1 . . . . . 69 ASN HB2 . 30285 1 812 . 1 1 69 69 ASN HB3 H 1 2.167 0.011 . 1 . . . . . 69 ASN HB3 . 30285 1 813 . 1 1 69 69 ASN HD21 H 1 7.569 0.011 . 1 . . . . . 69 ASN HD21 . 30285 1 814 . 1 1 69 69 ASN HD22 H 1 6.764 0.011 . 1 . . . . . 69 ASN HD22 . 30285 1 815 . 1 1 69 69 ASN CA C 13 52.205 0.051 . 1 . . . . . 69 ASN CA . 30285 1 816 . 1 1 69 69 ASN CB C 13 38.156 0.051 . 1 . . . . . 69 ASN CB . 30285 1 817 . 1 1 69 69 ASN N N 15 123.244 0.054 . 1 . . . . . 69 ASN N . 30285 1 818 . 1 1 69 69 ASN ND2 N 15 115.269 0.054 . 1 . . . . . 69 ASN ND2 . 30285 1 819 . 1 1 70 70 ILE H H 1 8.942 0.011 . 1 . . . . . 70 ILE H . 30285 1 820 . 1 1 70 70 ILE HA H 1 4.333 0.011 . 1 . . . . . 70 ILE HA . 30285 1 821 . 1 1 70 70 ILE HB H 1 1.983 0.011 . 1 . . . . . 70 ILE HB . 30285 1 822 . 1 1 70 70 ILE HG12 H 1 1.426 0.011 . 1 . . . . . 70 ILE HG12 . 30285 1 823 . 1 1 70 70 ILE HG13 H 1 1.285 0.011 . 1 . . . . . 70 ILE HG13 . 30285 1 824 . 1 1 70 70 ILE HG21 H 1 0.583 0.011 . 1 . . . . . 70 ILE HG21 . 30285 1 825 . 1 1 70 70 ILE HG22 H 1 0.583 0.011 . 1 . . . . . 70 ILE HG22 . 30285 1 826 . 1 1 70 70 ILE HG23 H 1 0.583 0.011 . 1 . . . . . 70 ILE HG23 . 30285 1 827 . 1 1 70 70 ILE HD11 H 1 0.581 0.011 . 1 . . . . . 70 ILE HD11 . 30285 1 828 . 1 1 70 70 ILE HD12 H 1 0.581 0.011 . 1 . . . . . 70 ILE HD12 . 30285 1 829 . 1 1 70 70 ILE HD13 H 1 0.581 0.011 . 1 . . . . . 70 ILE HD13 . 30285 1 830 . 1 1 70 70 ILE CA C 13 56.850 0.051 . 1 . . . . . 70 ILE CA . 30285 1 831 . 1 1 70 70 ILE CB C 13 38.014 0.051 . 1 . . . . . 70 ILE CB . 30285 1 832 . 1 1 70 70 ILE CG1 C 13 27.746 0.051 . 1 . . . . . 70 ILE CG1 . 30285 1 833 . 1 1 70 70 ILE CG2 C 13 16.376 0.051 . 1 . . . . . 70 ILE CG2 . 30285 1 834 . 1 1 70 70 ILE CD1 C 13 11.274 0.051 . 1 . . . . . 70 ILE CD1 . 30285 1 835 . 1 1 70 70 ILE N N 15 127.489 0.054 . 1 . . . . . 70 ILE N . 30285 1 836 . 1 1 71 71 PRO HA H 1 5.015 0.011 . 1 . . . . . 71 PRO HA . 30285 1 837 . 1 1 71 71 PRO HB2 H 1 2.242 0.011 . 1 . . . . . 71 PRO HB2 . 30285 1 838 . 1 1 71 71 PRO HB3 H 1 1.963 0.011 . 1 . . . . . 71 PRO HB3 . 30285 1 839 . 1 1 71 71 PRO HG2 H 1 2.243 0.011 . 1 . . . . . 71 PRO HG2 . 30285 1 840 . 1 1 71 71 PRO HG3 H 1 1.874 0.011 . 1 . . . . . 71 PRO HG3 . 30285 1 841 . 1 1 71 71 PRO HD2 H 1 4.045 0.011 . 1 . . . . . 71 PRO HD2 . 30285 1 842 . 1 1 71 71 PRO HD3 H 1 3.436 0.011 . 1 . . . . . 71 PRO HD3 . 30285 1 843 . 1 1 71 71 PRO CA C 13 61.523 0.051 . 1 . . . . . 71 PRO CA . 30285 1 844 . 1 1 71 71 PRO CB C 13 31.533 0.051 . 1 . . . . . 71 PRO CB . 30285 1 845 . 1 1 71 71 PRO CG C 13 28.182 0.051 . 1 . . . . . 71 PRO CG . 30285 1 846 . 1 1 71 71 PRO CD C 13 51.192 0.051 . 1 . . . . . 71 PRO CD . 30285 1 847 . 1 1 72 72 ILE H H 1 8.760 0.011 . 1 . . . . . 72 ILE H . 30285 1 848 . 1 1 72 72 ILE HA H 1 5.414 0.011 . 1 . . . . . 72 ILE HA . 30285 1 849 . 1 1 72 72 ILE HB H 1 1.691 0.011 . 1 . . . . . 72 ILE HB . 30285 1 850 . 1 1 72 72 ILE HG12 H 1 1.076 0.011 . 1 . . . . . 72 ILE HG12 . 30285 1 851 . 1 1 72 72 ILE HG13 H 1 1.076 0.011 . 1 . . . . . 72 ILE HG13 . 30285 1 852 . 1 1 72 72 ILE HG21 H 1 0.841 0.011 . 1 . . . . . 72 ILE HG21 . 30285 1 853 . 1 1 72 72 ILE HG22 H 1 0.841 0.011 . 1 . . . . . 72 ILE HG22 . 30285 1 854 . 1 1 72 72 ILE HG23 H 1 0.841 0.011 . 1 . . . . . 72 ILE HG23 . 30285 1 855 . 1 1 72 72 ILE HD11 H 1 0.621 0.011 . 1 . . . . . 72 ILE HD11 . 30285 1 856 . 1 1 72 72 ILE HD12 H 1 0.621 0.011 . 1 . . . . . 72 ILE HD12 . 30285 1 857 . 1 1 72 72 ILE HD13 H 1 0.621 0.011 . 1 . . . . . 72 ILE HD13 . 30285 1 858 . 1 1 72 72 ILE CA C 13 58.736 0.051 . 1 . . . . . 72 ILE CA . 30285 1 859 . 1 1 72 72 ILE CB C 13 44.632 0.051 . 1 . . . . . 72 ILE CB . 30285 1 860 . 1 1 72 72 ILE CG1 C 13 24.874 0.051 . 1 . . . . . 72 ILE CG1 . 30285 1 861 . 1 1 72 72 ILE CG2 C 13 17.398 0.051 . 1 . . . . . 72 ILE CG2 . 30285 1 862 . 1 1 72 72 ILE CD1 C 13 15.128 0.051 . 1 . . . . . 72 ILE CD1 . 30285 1 863 . 1 1 72 72 ILE N N 15 117.488 0.054 . 1 . . . . . 72 ILE N . 30285 1 864 . 1 1 73 73 CYS H H 1 8.896 0.011 . 1 . . . . . 73 CYS H . 30285 1 865 . 1 1 73 73 CYS HA H 1 5.185 0.011 . 1 . . . . . 73 CYS HA . 30285 1 866 . 1 1 73 73 CYS HB2 H 1 3.025 0.011 . 1 . . . . . 73 CYS HB2 . 30285 1 867 . 1 1 73 73 CYS HB3 H 1 3.018 0.011 . 1 . . . . . 73 CYS HB3 . 30285 1 868 . 1 1 73 73 CYS CA C 13 54.438 0.051 . 1 . . . . . 73 CYS CA . 30285 1 869 . 1 1 73 73 CYS CB C 13 47.399 0.051 . 1 . . . . . 73 CYS CB . 30285 1 870 . 1 1 73 73 CYS N N 15 117.472 0.054 . 1 . . . . . 73 CYS N . 30285 1 871 . 1 1 74 74 LEU H H 1 8.879 0.011 . 1 . . . . . 74 LEU H . 30285 1 872 . 1 1 74 74 LEU HA H 1 5.121 0.011 . 1 . . . . . 74 LEU HA . 30285 1 873 . 1 1 74 74 LEU HB2 H 1 1.747 0.011 . 1 . . . . . 74 LEU HB2 . 30285 1 874 . 1 1 74 74 LEU HB3 H 1 1.157 0.011 . 1 . . . . . 74 LEU HB3 . 30285 1 875 . 1 1 74 74 LEU HG H 1 1.781 0.011 . 1 . . . . . 74 LEU HG . 30285 1 876 . 1 1 74 74 LEU HD11 H 1 0.709 0.011 . 1 . . . . . 74 LEU HD11 . 30285 1 877 . 1 1 74 74 LEU HD12 H 1 0.709 0.011 . 1 . . . . . 74 LEU HD12 . 30285 1 878 . 1 1 74 74 LEU HD13 H 1 0.709 0.011 . 1 . . . . . 74 LEU HD13 . 30285 1 879 . 1 1 74 74 LEU HD21 H 1 0.672 0.011 . 1 . . . . . 74 LEU HD21 . 30285 1 880 . 1 1 74 74 LEU HD22 H 1 0.672 0.011 . 1 . . . . . 74 LEU HD22 . 30285 1 881 . 1 1 74 74 LEU HD23 H 1 0.672 0.011 . 1 . . . . . 74 LEU HD23 . 30285 1 882 . 1 1 74 74 LEU CA C 13 53.081 0.051 . 1 . . . . . 74 LEU CA . 30285 1 883 . 1 1 74 74 LEU CB C 13 43.661 0.051 . 1 . . . . . 74 LEU CB . 30285 1 884 . 1 1 74 74 LEU CD1 C 13 25.537 0.051 . 1 . . . . . 74 LEU CD1 . 30285 1 885 . 1 1 74 74 LEU CD2 C 13 25.969 0.051 . 1 . . . . . 74 LEU CD2 . 30285 1 886 . 1 1 74 74 LEU N N 15 125.621 0.054 . 1 . . . . . 74 LEU N . 30285 1 887 . 1 1 75 75 TRP H H 1 9.515 0.011 . 1 . . . . . 75 TRP H . 30285 1 888 . 1 1 75 75 TRP HA H 1 4.589 0.011 . 1 . . . . . 75 TRP HA . 30285 1 889 . 1 1 75 75 TRP HB2 H 1 3.089 0.011 . 1 . . . . . 75 TRP HB2 . 30285 1 890 . 1 1 75 75 TRP HB3 H 1 2.614 0.011 . 1 . . . . . 75 TRP HB3 . 30285 1 891 . 1 1 75 75 TRP HD1 H 1 6.930 0.011 . 1 . . . . . 75 TRP HD1 . 30285 1 892 . 1 1 75 75 TRP HE1 H 1 9.926 0.011 . 1 . . . . . 75 TRP HE1 . 30285 1 893 . 1 1 75 75 TRP HE3 H 1 7.269 0.011 . 1 . . . . . 75 TRP HE3 . 30285 1 894 . 1 1 75 75 TRP HZ2 H 1 6.572 0.011 . 1 . . . . . 75 TRP HZ2 . 30285 1 895 . 1 1 75 75 TRP HZ3 H 1 6.666 0.011 . 1 . . . . . 75 TRP HZ3 . 30285 1 896 . 1 1 75 75 TRP HH2 H 1 7.120 0.011 . 1 . . . . . 75 TRP HH2 . 30285 1 897 . 1 1 75 75 TRP CA C 13 57.019 0.051 . 1 . . . . . 75 TRP CA . 30285 1 898 . 1 1 75 75 TRP CB C 13 30.240 0.051 . 1 . . . . . 75 TRP CB . 30285 1 899 . 1 1 75 75 TRP CD1 C 13 128.618 0.051 . 1 . . . . . 75 TRP CD1 . 30285 1 900 . 1 1 75 75 TRP CE3 C 13 120.578 0.051 . 1 . . . . . 75 TRP CE3 . 30285 1 901 . 1 1 75 75 TRP CZ3 C 13 119.711 0.051 . 1 . . . . . 75 TRP CZ3 . 30285 1 902 . 1 1 75 75 TRP CH2 C 13 123.564 0.051 . 1 . . . . . 75 TRP CH2 . 30285 1 903 . 1 1 75 75 TRP N N 15 123.816 0.054 . 1 . . . . . 75 TRP N . 30285 1 904 . 1 1 75 75 TRP NE1 N 15 129.605 0.054 . 1 . . . . . 75 TRP NE1 . 30285 1 905 . 1 1 76 76 LEU H H 1 8.408 0.011 . 1 . . . . . 76 LEU H . 30285 1 906 . 1 1 76 76 LEU HA H 1 4.588 0.011 . 1 . . . . . 76 LEU HA . 30285 1 907 . 1 1 76 76 LEU HB2 H 1 1.238 0.011 . 1 . . . . . 76 LEU HB2 . 30285 1 908 . 1 1 76 76 LEU HB3 H 1 1.904 0.011 . 1 . . . . . 76 LEU HB3 . 30285 1 909 . 1 1 76 76 LEU HG H 1 1.264 0.011 . 1 . . . . . 76 LEU HG . 30285 1 910 . 1 1 76 76 LEU HD11 H 1 0.398 0.011 . 1 . . . . . 76 LEU HD11 . 30285 1 911 . 1 1 76 76 LEU HD12 H 1 0.398 0.011 . 1 . . . . . 76 LEU HD12 . 30285 1 912 . 1 1 76 76 LEU HD13 H 1 0.398 0.011 . 1 . . . . . 76 LEU HD13 . 30285 1 913 . 1 1 76 76 LEU HD21 H 1 0.111 0.011 . 1 . . . . . 76 LEU HD21 . 30285 1 914 . 1 1 76 76 LEU HD22 H 1 0.111 0.011 . 1 . . . . . 76 LEU HD22 . 30285 1 915 . 1 1 76 76 LEU HD23 H 1 0.111 0.011 . 1 . . . . . 76 LEU HD23 . 30285 1 916 . 1 1 76 76 LEU CA C 13 53.445 0.051 . 1 . . . . . 76 LEU CA . 30285 1 917 . 1 1 76 76 LEU CB C 13 41.002 0.051 . 1 . . . . . 76 LEU CB . 30285 1 918 . 1 1 76 76 LEU CG C 13 27.936 0.051 . 1 . . . . . 76 LEU CG . 30285 1 919 . 1 1 76 76 LEU CD1 C 13 25.098 0.051 . 1 . . . . . 76 LEU CD1 . 30285 1 920 . 1 1 76 76 LEU CD2 C 13 23.470 0.051 . 1 . . . . . 76 LEU CD2 . 30285 1 921 . 1 1 76 76 LEU N N 15 122.353 0.054 . 1 . . . . . 76 LEU N . 30285 1 922 . 1 1 77 77 LEU H H 1 8.741 0.011 . 1 . . . . . 77 LEU H . 30285 1 923 . 1 1 77 77 LEU HA H 1 4.299 0.011 . 1 . . . . . 77 LEU HA . 30285 1 924 . 1 1 77 77 LEU HB2 H 1 1.771 0.011 . 1 . . . . . 77 LEU HB2 . 30285 1 925 . 1 1 77 77 LEU HB3 H 1 1.584 0.011 . 1 . . . . . 77 LEU HB3 . 30285 1 926 . 1 1 77 77 LEU HG H 1 1.512 0.011 . 1 . . . . . 77 LEU HG . 30285 1 927 . 1 1 77 77 LEU HD11 H 1 0.700 0.011 . 1 . . . . . 77 LEU HD11 . 30285 1 928 . 1 1 77 77 LEU HD12 H 1 0.700 0.011 . 1 . . . . . 77 LEU HD12 . 30285 1 929 . 1 1 77 77 LEU HD13 H 1 0.700 0.011 . 1 . . . . . 77 LEU HD13 . 30285 1 930 . 1 1 77 77 LEU HD21 H 1 0.789 0.011 . 1 . . . . . 77 LEU HD21 . 30285 1 931 . 1 1 77 77 LEU HD22 H 1 0.789 0.011 . 1 . . . . . 77 LEU HD22 . 30285 1 932 . 1 1 77 77 LEU HD23 H 1 0.789 0.011 . 1 . . . . . 77 LEU HD23 . 30285 1 933 . 1 1 77 77 LEU CA C 13 55.417 0.051 . 1 . . . . . 77 LEU CA . 30285 1 934 . 1 1 77 77 LEU CB C 13 41.574 0.051 . 1 . . . . . 77 LEU CB . 30285 1 935 . 1 1 77 77 LEU CG C 13 27.734 0.051 . 1 . . . . . 77 LEU CG . 30285 1 936 . 1 1 77 77 LEU CD2 C 13 22.164 0.051 . 1 . . . . . 77 LEU CD2 . 30285 1 937 . 1 1 77 77 LEU N N 15 124.398 0.054 . 1 . . . . . 77 LEU N . 30285 1 938 . 1 1 78 78 ASP H H 1 8.363 0.011 . 1 . . . . . 78 ASP H . 30285 1 939 . 1 1 78 78 ASP HA H 1 2.976 0.011 . 1 . . . . . 78 ASP HA . 30285 1 940 . 1 1 78 78 ASP HB2 H 1 2.054 0.011 . 1 . . . . . 78 ASP HB2 . 30285 1 941 . 1 1 78 78 ASP HB3 H 1 2.518 0.011 . 1 . . . . . 78 ASP HB3 . 30285 1 942 . 1 1 78 78 ASP CA C 13 55.529 0.051 . 1 . . . . . 78 ASP CA . 30285 1 943 . 1 1 78 78 ASP CB C 13 39.099 0.051 . 1 . . . . . 78 ASP CB . 30285 1 944 . 1 1 78 78 ASP N N 15 115.762 0.054 . 1 . . . . . 78 ASP N . 30285 1 945 . 1 1 79 79 THR H H 1 6.946 0.011 . 1 . . . . . 79 THR H . 30285 1 946 . 1 1 79 79 THR HA H 1 4.396 0.011 . 1 . . . . . 79 THR HA . 30285 1 947 . 1 1 79 79 THR HB H 1 4.846 0.011 . 1 . . . . . 79 THR HB . 30285 1 948 . 1 1 79 79 THR HG21 H 1 1.213 0.011 . 1 . . . . . 79 THR HG21 . 30285 1 949 . 1 1 79 79 THR HG22 H 1 1.213 0.011 . 1 . . . . . 79 THR HG22 . 30285 1 950 . 1 1 79 79 THR HG23 H 1 1.213 0.011 . 1 . . . . . 79 THR HG23 . 30285 1 951 . 1 1 79 79 THR CA C 13 60.781 0.051 . 1 . . . . . 79 THR CA . 30285 1 952 . 1 1 79 79 THR CB C 13 68.465 0.051 . 1 . . . . . 79 THR CB . 30285 1 953 . 1 1 79 79 THR CG2 C 13 22.447 0.051 . 1 . . . . . 79 THR CG2 . 30285 1 954 . 1 1 79 79 THR N N 15 107.611 0.054 . 1 . . . . . 79 THR N . 30285 1 955 . 1 1 80 80 TYR H H 1 8.415 0.011 . 1 . . . . . 80 TYR H . 30285 1 956 . 1 1 80 80 TYR HA H 1 4.075 0.011 . 1 . . . . . 80 TYR HA . 30285 1 957 . 1 1 80 80 TYR HB2 H 1 3.292 0.011 . 1 . . . . . 80 TYR HB2 . 30285 1 958 . 1 1 80 80 TYR HB3 H 1 3.531 0.011 . 1 . . . . . 80 TYR HB3 . 30285 1 959 . 1 1 80 80 TYR HD1 H 1 7.273 0.011 . 1 . . . . . 80 TYR HD1 . 30285 1 960 . 1 1 80 80 TYR HD2 H 1 7.273 0.011 . 1 . . . . . 80 TYR HD2 . 30285 1 961 . 1 1 80 80 TYR HE1 H 1 7.401 0.011 . 1 . . . . . 80 TYR HE1 . 30285 1 962 . 1 1 80 80 TYR HE2 H 1 7.401 0.011 . 1 . . . . . 80 TYR HE2 . 30285 1 963 . 1 1 80 80 TYR CA C 13 60.209 0.051 . 1 . . . . . 80 TYR CA . 30285 1 964 . 1 1 80 80 TYR CB C 13 38.881 0.051 . 1 . . . . . 80 TYR CB . 30285 1 965 . 1 1 80 80 TYR N N 15 127.329 0.054 . 1 . . . . . 80 TYR N . 30285 1 966 . 1 1 81 81 PRO HA H 1 2.545 0.011 . 1 . . . . . 81 PRO HA . 30285 1 967 . 1 1 81 81 PRO HB2 H 1 1.431 0.011 . 1 . . . . . 81 PRO HB2 . 30285 1 968 . 1 1 81 81 PRO HB3 H 1 2.271 0.011 . 1 . . . . . 81 PRO HB3 . 30285 1 969 . 1 1 81 81 PRO HG2 H 1 -0.334 0.011 . 1 . . . . . 81 PRO HG2 . 30285 1 970 . 1 1 81 81 PRO HG3 H 1 0.928 0.011 . 1 . . . . . 81 PRO HG3 . 30285 1 971 . 1 1 81 81 PRO HD2 H 1 2.904 0.011 . 1 . . . . . 81 PRO HD2 . 30285 1 972 . 1 1 81 81 PRO HD3 H 1 3.230 0.011 . 1 . . . . . 81 PRO HD3 . 30285 1 973 . 1 1 81 81 PRO CA C 13 62.378 0.051 . 1 . . . . . 81 PRO CA . 30285 1 974 . 1 1 81 81 PRO CB C 13 34.226 0.051 . 1 . . . . . 81 PRO CB . 30285 1 975 . 1 1 81 81 PRO CG C 13 22.963 0.051 . 1 . . . . . 81 PRO CG . 30285 1 976 . 1 1 81 81 PRO CD C 13 50.469 0.051 . 1 . . . . . 81 PRO CD . 30285 1 977 . 1 1 82 82 TYR H H 1 8.760 0.011 . 1 . . . . . 82 TYR H . 30285 1 978 . 1 1 82 82 TYR HA H 1 4.206 0.011 . 1 . . . . . 82 TYR HA . 30285 1 979 . 1 1 82 82 TYR HB2 H 1 3.153 0.011 . 1 . . . . . 82 TYR HB2 . 30285 1 980 . 1 1 82 82 TYR HB3 H 1 2.852 0.011 . 1 . . . . . 82 TYR HB3 . 30285 1 981 . 1 1 82 82 TYR HD1 H 1 6.742 0.011 . 1 . . . . . 82 TYR HD1 . 30285 1 982 . 1 1 82 82 TYR HD2 H 1 6.742 0.011 . 1 . . . . . 82 TYR HD2 . 30285 1 983 . 1 1 82 82 TYR HE1 H 1 5.993 0.011 . 1 . . . . . 82 TYR HE1 . 30285 1 984 . 1 1 82 82 TYR HE2 H 1 5.993 0.011 . 1 . . . . . 82 TYR HE2 . 30285 1 985 . 1 1 82 82 TYR CA C 13 61.456 0.051 . 1 . . . . . 82 TYR CA . 30285 1 986 . 1 1 82 82 TYR CB C 13 37.295 0.051 . 1 . . . . . 82 TYR CB . 30285 1 987 . 1 1 82 82 TYR CD1 C 13 132.647 0.051 . 1 . . . . . 82 TYR CD1 . 30285 1 988 . 1 1 82 82 TYR CD2 C 13 132.647 0.051 . 1 . . . . . 82 TYR CD2 . 30285 1 989 . 1 1 82 82 TYR CE1 C 13 117.272 0.051 . 1 . . . . . 82 TYR CE1 . 30285 1 990 . 1 1 82 82 TYR CE2 C 13 117.272 0.051 . 1 . . . . . 82 TYR CE2 . 30285 1 991 . 1 1 82 82 TYR N N 15 124.745 0.054 . 1 . . . . . 82 TYR N . 30285 1 992 . 1 1 83 83 ASN H H 1 6.729 0.011 . 1 . . . . . 83 ASN H . 30285 1 993 . 1 1 83 83 ASN HA H 1 5.035 0.011 . 1 . . . . . 83 ASN HA . 30285 1 994 . 1 1 83 83 ASN HB2 H 1 2.659 0.011 . 1 . . . . . 83 ASN HB2 . 30285 1 995 . 1 1 83 83 ASN HB3 H 1 1.995 0.011 . 1 . . . . . 83 ASN HB3 . 30285 1 996 . 1 1 83 83 ASN HD21 H 1 7.047 0.011 . 1 . . . . . 83 ASN HD21 . 30285 1 997 . 1 1 83 83 ASN HD22 H 1 7.914 0.011 . 1 . . . . . 83 ASN HD22 . 30285 1 998 . 1 1 83 83 ASN CA C 13 50.622 0.051 . 1 . . . . . 83 ASN CA . 30285 1 999 . 1 1 83 83 ASN CB C 13 41.363 0.051 . 1 . . . . . 83 ASN CB . 30285 1 1000 . 1 1 83 83 ASN N N 15 114.932 0.054 . 1 . . . . . 83 ASN N . 30285 1 1001 . 1 1 83 83 ASN ND2 N 15 113.694 0.054 . 1 . . . . . 83 ASN ND2 . 30285 1 1002 . 1 1 84 84 PRO HA H 1 4.225 0.011 . 1 . . . . . 84 PRO HA . 30285 1 1003 . 1 1 84 84 PRO HB2 H 1 2.198 0.011 . 1 . . . . . 84 PRO HB2 . 30285 1 1004 . 1 1 84 84 PRO HB3 H 1 1.889 0.011 . 1 . . . . . 84 PRO HB3 . 30285 1 1005 . 1 1 84 84 PRO HG2 H 1 1.881 0.011 . 1 . . . . . 84 PRO HG2 . 30285 1 1006 . 1 1 84 84 PRO HG3 H 1 2.208 0.011 . 1 . . . . . 84 PRO HG3 . 30285 1 1007 . 1 1 84 84 PRO HD2 H 1 3.480 0.011 . 1 . . . . . 84 PRO HD2 . 30285 1 1008 . 1 1 84 84 PRO HD3 H 1 3.746 0.011 . 1 . . . . . 84 PRO HD3 . 30285 1 1009 . 1 1 84 84 PRO CA C 13 64.823 0.051 . 1 . . . . . 84 PRO CA . 30285 1 1010 . 1 1 84 84 PRO CB C 13 32.037 0.051 . 1 . . . . . 84 PRO CB . 30285 1 1011 . 1 1 84 84 PRO CG C 13 26.066 0.051 . 1 . . . . . 84 PRO CG . 30285 1 1012 . 1 1 84 84 PRO CD C 13 50.592 0.051 . 1 . . . . . 84 PRO CD . 30285 1 1013 . 1 1 85 85 PRO HA H 1 4.818 0.011 . 1 . . . . . 85 PRO HA . 30285 1 1014 . 1 1 85 85 PRO HB2 H 1 1.510 0.011 . 1 . . . . . 85 PRO HB2 . 30285 1 1015 . 1 1 85 85 PRO HB3 H 1 1.820 0.011 . 1 . . . . . 85 PRO HB3 . 30285 1 1016 . 1 1 85 85 PRO HG2 H 1 1.406 0.011 . 1 . . . . . 85 PRO HG2 . 30285 1 1017 . 1 1 85 85 PRO HG3 H 1 1.448 0.011 . 1 . . . . . 85 PRO HG3 . 30285 1 1018 . 1 1 85 85 PRO HD2 H 1 2.336 0.011 . 1 . . . . . 85 PRO HD2 . 30285 1 1019 . 1 1 85 85 PRO HD3 H 1 2.336 0.011 . 1 . . . . . 85 PRO HD3 . 30285 1 1020 . 1 1 85 85 PRO CA C 13 61.871 0.051 . 1 . . . . . 85 PRO CA . 30285 1 1021 . 1 1 85 85 PRO CB C 13 32.177 0.051 . 1 . . . . . 85 PRO CB . 30285 1 1022 . 1 1 85 85 PRO CG C 13 27.262 0.051 . 1 . . . . . 85 PRO CG . 30285 1 1023 . 1 1 86 86 ILE H H 1 8.406 0.011 . 1 . . . . . 86 ILE H . 30285 1 1024 . 1 1 86 86 ILE HA H 1 4.053 0.011 . 1 . . . . . 86 ILE HA . 30285 1 1025 . 1 1 86 86 ILE HB H 1 1.804 0.011 . 1 . . . . . 86 ILE HB . 30285 1 1026 . 1 1 86 86 ILE HG12 H 1 1.442 0.011 . 1 . . . . . 86 ILE HG12 . 30285 1 1027 . 1 1 86 86 ILE HG13 H 1 1.036 0.011 . 1 . . . . . 86 ILE HG13 . 30285 1 1028 . 1 1 86 86 ILE HG21 H 1 0.971 0.011 . 1 . . . . . 86 ILE HG21 . 30285 1 1029 . 1 1 86 86 ILE HG22 H 1 0.971 0.011 . 1 . . . . . 86 ILE HG22 . 30285 1 1030 . 1 1 86 86 ILE HG23 H 1 0.971 0.011 . 1 . . . . . 86 ILE HG23 . 30285 1 1031 . 1 1 86 86 ILE HD11 H 1 0.634 0.011 . 1 . . . . . 86 ILE HD11 . 30285 1 1032 . 1 1 86 86 ILE HD12 H 1 0.634 0.011 . 1 . . . . . 86 ILE HD12 . 30285 1 1033 . 1 1 86 86 ILE HD13 H 1 0.634 0.011 . 1 . . . . . 86 ILE HD13 . 30285 1 1034 . 1 1 86 86 ILE CA C 13 61.749 0.051 . 1 . . . . . 86 ILE CA . 30285 1 1035 . 1 1 86 86 ILE CB C 13 38.831 0.051 . 1 . . . . . 86 ILE CB . 30285 1 1036 . 1 1 86 86 ILE CG1 C 13 27.353 0.051 . 1 . . . . . 86 ILE CG1 . 30285 1 1037 . 1 1 86 86 ILE CG2 C 13 19.287 0.051 . 1 . . . . . 86 ILE CG2 . 30285 1 1038 . 1 1 86 86 ILE CD1 C 13 13.232 0.051 . 1 . . . . . 86 ILE CD1 . 30285 1 1039 . 1 1 86 86 ILE N N 15 121.599 0.054 . 1 . . . . . 86 ILE N . 30285 1 1040 . 1 1 87 87 CYS H H 1 8.759 0.011 . 1 . . . . . 87 CYS H . 30285 1 1041 . 1 1 87 87 CYS HA H 1 5.272 0.011 . 1 . . . . . 87 CYS HA . 30285 1 1042 . 1 1 87 87 CYS HB2 H 1 2.347 0.011 . 1 . . . . . 87 CYS HB2 . 30285 1 1043 . 1 1 87 87 CYS HB3 H 1 2.777 0.011 . 1 . . . . . 87 CYS HB3 . 30285 1 1044 . 1 1 87 87 CYS CA C 13 57.567 0.051 . 1 . . . . . 87 CYS CA . 30285 1 1045 . 1 1 87 87 CYS CB C 13 31.079 0.051 . 1 . . . . . 87 CYS CB . 30285 1 1046 . 1 1 87 87 CYS N N 15 125.204 0.054 . 1 . . . . . 87 CYS N . 30285 1 1047 . 1 1 88 88 PHE H H 1 9.138 0.011 . 1 . . . . . 88 PHE H . 30285 1 1048 . 1 1 88 88 PHE HA H 1 5.496 0.011 . 1 . . . . . 88 PHE HA . 30285 1 1049 . 1 1 88 88 PHE HB2 H 1 3.010 0.011 . 1 . . . . . 88 PHE HB2 . 30285 1 1050 . 1 1 88 88 PHE HB3 H 1 2.709 0.011 . 1 . . . . . 88 PHE HB3 . 30285 1 1051 . 1 1 88 88 PHE HD1 H 1 7.160 0.011 . 1 . . . . . 88 PHE HD1 . 30285 1 1052 . 1 1 88 88 PHE HD2 H 1 7.160 0.011 . 1 . . . . . 88 PHE HD2 . 30285 1 1053 . 1 1 88 88 PHE HE1 H 1 7.276 0.011 . 1 . . . . . 88 PHE HE1 . 30285 1 1054 . 1 1 88 88 PHE HE2 H 1 7.276 0.011 . 1 . . . . . 88 PHE HE2 . 30285 1 1055 . 1 1 88 88 PHE HZ H 1 7.362 0.011 . 1 . . . . . 88 PHE HZ . 30285 1 1056 . 1 1 88 88 PHE CA C 13 56.649 0.051 . 1 . . . . . 88 PHE CA . 30285 1 1057 . 1 1 88 88 PHE CB C 13 43.932 0.051 . 1 . . . . . 88 PHE CB . 30285 1 1058 . 1 1 88 88 PHE CD1 C 13 131.174 0.051 . 1 . . . . . 88 PHE CD1 . 30285 1 1059 . 1 1 88 88 PHE CD2 C 13 131.174 0.051 . 1 . . . . . 88 PHE CD2 . 30285 1 1060 . 1 1 88 88 PHE CE1 C 13 131.707 0.051 . 1 . . . . . 88 PHE CE1 . 30285 1 1061 . 1 1 88 88 PHE CE2 C 13 131.707 0.051 . 1 . . . . . 88 PHE CE2 . 30285 1 1062 . 1 1 88 88 PHE CZ C 13 129.916 0.051 . 1 . . . . . 88 PHE CZ . 30285 1 1063 . 1 1 88 88 PHE N N 15 120.953 0.054 . 1 . . . . . 88 PHE N . 30285 1 1064 . 1 1 89 89 VAL H H 1 9.488 0.011 . 1 . . . . . 89 VAL H . 30285 1 1065 . 1 1 89 89 VAL HA H 1 4.632 0.011 . 1 . . . . . 89 VAL HA . 30285 1 1066 . 1 1 89 89 VAL HB H 1 1.843 0.011 . 1 . . . . . 89 VAL HB . 30285 1 1067 . 1 1 89 89 VAL HG11 H 1 0.744 0.011 . 1 . . . . . 89 VAL HG11 . 30285 1 1068 . 1 1 89 89 VAL HG12 H 1 0.744 0.011 . 1 . . . . . 89 VAL HG12 . 30285 1 1069 . 1 1 89 89 VAL HG13 H 1 0.744 0.011 . 1 . . . . . 89 VAL HG13 . 30285 1 1070 . 1 1 89 89 VAL HG21 H 1 0.793 0.011 . 1 . . . . . 89 VAL HG21 . 30285 1 1071 . 1 1 89 89 VAL HG22 H 1 0.793 0.011 . 1 . . . . . 89 VAL HG22 . 30285 1 1072 . 1 1 89 89 VAL HG23 H 1 0.793 0.011 . 1 . . . . . 89 VAL HG23 . 30285 1 1073 . 1 1 89 89 VAL CA C 13 61.720 0.051 . 1 . . . . . 89 VAL CA . 30285 1 1074 . 1 1 89 89 VAL CB C 13 33.185 0.051 . 1 . . . . . 89 VAL CB . 30285 1 1075 . 1 1 89 89 VAL CG1 C 13 21.436 0.051 . 1 . . . . . 89 VAL CG1 . 30285 1 1076 . 1 1 89 89 VAL N N 15 120.181 0.054 . 1 . . . . . 89 VAL N . 30285 1 1077 . 1 1 90 90 LYS H H 1 7.758 0.011 . 1 . . . . . 90 LYS H . 30285 1 1078 . 1 1 90 90 LYS HA H 1 4.782 0.011 . 1 . . . . . 90 LYS HA . 30285 1 1079 . 1 1 90 90 LYS HB2 H 1 1.457 0.011 . 1 . . . . . 90 LYS HB2 . 30285 1 1080 . 1 1 90 90 LYS HB3 H 1 1.281 0.011 . 1 . . . . . 90 LYS HB3 . 30285 1 1081 . 1 1 90 90 LYS HG2 H 1 1.255 0.011 . 1 . . . . . 90 LYS HG2 . 30285 1 1082 . 1 1 90 90 LYS HD2 H 1 1.463 0.011 . 1 . . . . . 90 LYS HD2 . 30285 1 1083 . 1 1 90 90 LYS HD3 H 1 1.246 0.011 . 1 . . . . . 90 LYS HD3 . 30285 1 1084 . 1 1 90 90 LYS HE2 H 1 2.462 0.011 . 1 . . . . . 90 LYS HE2 . 30285 1 1085 . 1 1 90 90 LYS HE3 H 1 2.697 0.011 . 1 . . . . . 90 LYS HE3 . 30285 1 1086 . 1 1 90 90 LYS CA C 13 51.113 0.051 . 1 . . . . . 90 LYS CA . 30285 1 1087 . 1 1 90 90 LYS CB C 13 33.424 0.051 . 1 . . . . . 90 LYS CB . 30285 1 1088 . 1 1 90 90 LYS CD C 13 28.510 0.051 . 1 . . . . . 90 LYS CD . 30285 1 1089 . 1 1 90 90 LYS CE C 13 41.594 0.051 . 1 . . . . . 90 LYS CE . 30285 1 1090 . 1 1 90 90 LYS N N 15 126.928 0.054 . 1 . . . . . 90 LYS N . 30285 1 1091 . 1 1 91 91 PRO HA H 1 4.337 0.011 . 1 . . . . . 91 PRO HA . 30285 1 1092 . 1 1 91 91 PRO HB2 H 1 2.103 0.011 . 1 . . . . . 91 PRO HB2 . 30285 1 1093 . 1 1 91 91 PRO HB3 H 1 1.912 0.011 . 1 . . . . . 91 PRO HB3 . 30285 1 1094 . 1 1 91 91 PRO HG2 H 1 1.818 0.011 . 1 . . . . . 91 PRO HG2 . 30285 1 1095 . 1 1 91 91 PRO HG3 H 1 2.037 0.011 . 1 . . . . . 91 PRO HG3 . 30285 1 1096 . 1 1 91 91 PRO HD2 H 1 3.726 0.011 . 1 . . . . . 91 PRO HD2 . 30285 1 1097 . 1 1 91 91 PRO HD3 H 1 3.492 0.011 . 1 . . . . . 91 PRO HD3 . 30285 1 1098 . 1 1 91 91 PRO CA C 13 62.732 0.051 . 1 . . . . . 91 PRO CA . 30285 1 1099 . 1 1 91 91 PRO CB C 13 32.553 0.051 . 1 . . . . . 91 PRO CB . 30285 1 1100 . 1 1 91 91 PRO CG C 13 27.242 0.051 . 1 . . . . . 91 PRO CG . 30285 1 1101 . 1 1 91 91 PRO CD C 13 50.569 0.051 . 1 . . . . . 91 PRO CD . 30285 1 1102 . 1 1 92 92 THR H H 1 7.756 0.011 . 1 . . . . . 92 THR H . 30285 1 1103 . 1 1 92 92 THR HA H 1 4.599 0.011 . 1 . . . . . 92 THR HA . 30285 1 1104 . 1 1 92 92 THR HB H 1 4.602 0.011 . 1 . . . . . 92 THR HB . 30285 1 1105 . 1 1 92 92 THR HG21 H 1 1.255 0.011 . 1 . . . . . 92 THR HG21 . 30285 1 1106 . 1 1 92 92 THR HG22 H 1 1.255 0.011 . 1 . . . . . 92 THR HG22 . 30285 1 1107 . 1 1 92 92 THR HG23 H 1 1.255 0.011 . 1 . . . . . 92 THR HG23 . 30285 1 1108 . 1 1 92 92 THR CA C 13 60.532 0.051 . 1 . . . . . 92 THR CA . 30285 1 1109 . 1 1 92 92 THR CB C 13 70.643 0.051 . 1 . . . . . 92 THR CB . 30285 1 1110 . 1 1 92 92 THR CG2 C 13 21.751 0.051 . 1 . . . . . 92 THR CG2 . 30285 1 1111 . 1 1 92 92 THR N N 15 112.227 0.054 . 1 . . . . . 92 THR N . 30285 1 1112 . 1 1 93 93 SER H H 1 8.690 0.011 . 1 . . . . . 93 SER H . 30285 1 1113 . 1 1 93 93 SER HA H 1 4.243 0.011 . 1 . . . . . 93 SER HA . 30285 1 1114 . 1 1 93 93 SER HB2 H 1 3.949 0.011 . 1 . . . . . 93 SER HB2 . 30285 1 1115 . 1 1 93 93 SER HB3 H 1 3.968 0.011 . 1 . . . . . 93 SER HB3 . 30285 1 1116 . 1 1 93 93 SER CA C 13 60.547 0.051 . 1 . . . . . 93 SER CA . 30285 1 1117 . 1 1 93 93 SER CB C 13 62.816 0.051 . 1 . . . . . 93 SER CB . 30285 1 1118 . 1 1 93 93 SER N N 15 114.040 0.054 . 1 . . . . . 93 SER N . 30285 1 1119 . 1 1 94 94 SER H H 1 7.933 0.011 . 1 . . . . . 94 SER H . 30285 1 1120 . 1 1 94 94 SER HA H 1 4.570 0.011 . 1 . . . . . 94 SER HA . 30285 1 1121 . 1 1 94 94 SER HB2 H 1 3.868 0.011 . 1 . . . . . 94 SER HB2 . 30285 1 1122 . 1 1 94 94 SER HB3 H 1 3.970 0.011 . 1 . . . . . 94 SER HB3 . 30285 1 1123 . 1 1 94 94 SER CA C 13 58.337 0.051 . 1 . . . . . 94 SER CA . 30285 1 1124 . 1 1 94 94 SER CB C 13 63.533 0.051 . 1 . . . . . 94 SER CB . 30285 1 1125 . 1 1 94 94 SER N N 15 114.472 0.054 . 1 . . . . . 94 SER N . 30285 1 1126 . 1 1 95 95 MET H H 1 7.706 0.011 . 1 . . . . . 95 MET H . 30285 1 1127 . 1 1 95 95 MET HA H 1 5.017 0.011 . 1 . . . . . 95 MET HA . 30285 1 1128 . 1 1 95 95 MET HB2 H 1 1.898 0.011 . 1 . . . . . 95 MET HB2 . 30285 1 1129 . 1 1 95 95 MET HB3 H 1 1.745 0.011 . 1 . . . . . 95 MET HB3 . 30285 1 1130 . 1 1 95 95 MET HG2 H 1 2.490 0.011 . 1 . . . . . 95 MET HG2 . 30285 1 1131 . 1 1 95 95 MET HG3 H 1 2.329 0.011 . 1 . . . . . 95 MET HG3 . 30285 1 1132 . 1 1 95 95 MET HE1 H 1 2.047 0.011 . 1 . . . . . 95 MET HE1 . 30285 1 1133 . 1 1 95 95 MET HE2 H 1 2.047 0.011 . 1 . . . . . 95 MET HE2 . 30285 1 1134 . 1 1 95 95 MET HE3 H 1 2.047 0.011 . 1 . . . . . 95 MET HE3 . 30285 1 1135 . 1 1 95 95 MET CA C 13 54.949 0.051 . 1 . . . . . 95 MET CA . 30285 1 1136 . 1 1 95 95 MET CB C 13 36.387 0.051 . 1 . . . . . 95 MET CB . 30285 1 1137 . 1 1 95 95 MET CG C 13 32.726 0.051 . 1 . . . . . 95 MET CG . 30285 1 1138 . 1 1 95 95 MET CE C 13 17.948 0.051 . 1 . . . . . 95 MET CE . 30285 1 1139 . 1 1 95 95 MET N N 15 121.633 0.054 . 1 . . . . . 95 MET N . 30285 1 1140 . 1 1 96 96 THR H H 1 8.372 0.011 . 1 . . . . . 96 THR H . 30285 1 1141 . 1 1 96 96 THR HA H 1 4.465 0.011 . 1 . . . . . 96 THR HA . 30285 1 1142 . 1 1 96 96 THR HB H 1 3.611 0.011 . 1 . . . . . 96 THR HB . 30285 1 1143 . 1 1 96 96 THR HG21 H 1 1.131 0.011 . 1 . . . . . 96 THR HG21 . 30285 1 1144 . 1 1 96 96 THR HG22 H 1 1.131 0.011 . 1 . . . . . 96 THR HG22 . 30285 1 1145 . 1 1 96 96 THR HG23 H 1 1.131 0.011 . 1 . . . . . 96 THR HG23 . 30285 1 1146 . 1 1 96 96 THR CA C 13 60.421 0.051 . 1 . . . . . 96 THR CA . 30285 1 1147 . 1 1 96 96 THR CB C 13 70.975 0.051 . 1 . . . . . 96 THR CB . 30285 1 1148 . 1 1 96 96 THR CG2 C 13 21.728 0.051 . 1 . . . . . 96 THR CG2 . 30285 1 1149 . 1 1 96 96 THR N N 15 115.083 0.054 . 1 . . . . . 96 THR N . 30285 1 1150 . 1 1 97 97 ILE H H 1 8.387 0.011 . 1 . . . . . 97 ILE H . 30285 1 1151 . 1 1 97 97 ILE HA H 1 4.156 0.011 . 1 . . . . . 97 ILE HA . 30285 1 1152 . 1 1 97 97 ILE HB H 1 1.694 0.011 . 1 . . . . . 97 ILE HB . 30285 1 1153 . 1 1 97 97 ILE HG12 H 1 1.464 0.011 . 1 . . . . . 97 ILE HG12 . 30285 1 1154 . 1 1 97 97 ILE HG13 H 1 0.972 0.011 . 1 . . . . . 97 ILE HG13 . 30285 1 1155 . 1 1 97 97 ILE HG21 H 1 0.788 0.011 . 1 . . . . . 97 ILE HG21 . 30285 1 1156 . 1 1 97 97 ILE HG22 H 1 0.788 0.011 . 1 . . . . . 97 ILE HG22 . 30285 1 1157 . 1 1 97 97 ILE HG23 H 1 0.788 0.011 . 1 . . . . . 97 ILE HG23 . 30285 1 1158 . 1 1 97 97 ILE HD11 H 1 0.758 0.011 . 1 . . . . . 97 ILE HD11 . 30285 1 1159 . 1 1 97 97 ILE HD12 H 1 0.758 0.011 . 1 . . . . . 97 ILE HD12 . 30285 1 1160 . 1 1 97 97 ILE HD13 H 1 0.758 0.011 . 1 . . . . . 97 ILE HD13 . 30285 1 1161 . 1 1 97 97 ILE CA C 13 61.418 0.051 . 1 . . . . . 97 ILE CA . 30285 1 1162 . 1 1 97 97 ILE CB C 13 38.995 0.051 . 1 . . . . . 97 ILE CB . 30285 1 1163 . 1 1 97 97 ILE CG1 C 13 28.840 0.051 . 1 . . . . . 97 ILE CG1 . 30285 1 1164 . 1 1 97 97 ILE CG2 C 13 17.564 0.051 . 1 . . . . . 97 ILE CG2 . 30285 1 1165 . 1 1 97 97 ILE CD1 C 13 13.015 0.051 . 1 . . . . . 97 ILE CD1 . 30285 1 1166 . 1 1 97 97 ILE N N 15 123.635 0.054 . 1 . . . . . 97 ILE N . 30285 1 1167 . 1 1 98 98 LYS H H 1 8.162 0.011 . 1 . . . . . 98 LYS H . 30285 1 1168 . 1 1 98 98 LYS HA H 1 4.466 0.011 . 1 . . . . . 98 LYS HA . 30285 1 1169 . 1 1 98 98 LYS HB2 H 1 1.083 0.011 . 1 . . . . . 98 LYS HB2 . 30285 1 1170 . 1 1 98 98 LYS HB3 H 1 1.568 0.011 . 1 . . . . . 98 LYS HB3 . 30285 1 1171 . 1 1 98 98 LYS HG2 H 1 1.180 0.011 . 1 . . . . . 98 LYS HG2 . 30285 1 1172 . 1 1 98 98 LYS HG3 H 1 1.140 0.011 . 1 . . . . . 98 LYS HG3 . 30285 1 1173 . 1 1 98 98 LYS HD2 H 1 1.354 0.011 . 1 . . . . . 98 LYS HD2 . 30285 1 1174 . 1 1 98 98 LYS HD3 H 1 1.418 0.011 . 1 . . . . . 98 LYS HD3 . 30285 1 1175 . 1 1 98 98 LYS HE2 H 1 2.794 0.011 . 1 . . . . . 98 LYS HE2 . 30285 1 1176 . 1 1 98 98 LYS HE3 H 1 2.794 0.011 . 1 . . . . . 98 LYS HE3 . 30285 1 1177 . 1 1 98 98 LYS CA C 13 54.016 0.051 . 1 . . . . . 98 LYS CA . 30285 1 1178 . 1 1 98 98 LYS CB C 13 32.942 0.051 . 1 . . . . . 98 LYS CB . 30285 1 1179 . 1 1 98 98 LYS CG C 13 24.390 0.051 . 1 . . . . . 98 LYS CG . 30285 1 1180 . 1 1 98 98 LYS CD C 13 28.737 0.051 . 1 . . . . . 98 LYS CD . 30285 1 1181 . 1 1 98 98 LYS CE C 13 41.751 0.051 . 1 . . . . . 98 LYS CE . 30285 1 1182 . 1 1 98 98 LYS N N 15 130.590 0.054 . 1 . . . . . 98 LYS N . 30285 1 1183 . 1 1 99 99 THR H H 1 7.996 0.011 . 1 . . . . . 99 THR H . 30285 1 1184 . 1 1 99 99 THR HA H 1 4.078 0.011 . 1 . . . . . 99 THR HA . 30285 1 1185 . 1 1 99 99 THR HB H 1 4.330 0.011 . 1 . . . . . 99 THR HB . 30285 1 1186 . 1 1 99 99 THR HG21 H 1 1.116 0.011 . 1 . . . . . 99 THR HG21 . 30285 1 1187 . 1 1 99 99 THR HG22 H 1 1.116 0.011 . 1 . . . . . 99 THR HG22 . 30285 1 1188 . 1 1 99 99 THR HG23 H 1 1.116 0.011 . 1 . . . . . 99 THR HG23 . 30285 1 1189 . 1 1 99 99 THR CA C 13 61.867 0.051 . 1 . . . . . 99 THR CA . 30285 1 1190 . 1 1 99 99 THR CB C 13 69.769 0.051 . 1 . . . . . 99 THR CB . 30285 1 1191 . 1 1 99 99 THR CG2 C 13 21.751 0.051 . 1 . . . . . 99 THR CG2 . 30285 1 1192 . 1 1 99 99 THR N N 15 116.880 0.054 . 1 . . . . . 99 THR N . 30285 1 1193 . 1 1 100 100 GLY H H 1 8.733 0.011 . 1 . . . . . 100 GLY H . 30285 1 1194 . 1 1 100 100 GLY HA2 H 1 4.092 0.011 . 1 . . . . . 100 GLY HA2 . 30285 1 1195 . 1 1 100 100 GLY HA3 H 1 4.092 0.011 . 1 . . . . . 100 GLY HA3 . 30285 1 1196 . 1 1 100 100 GLY CA C 13 45.892 0.051 . 1 . . . . . 100 GLY CA . 30285 1 1197 . 1 1 100 100 GLY N N 15 109.341 0.054 . 1 . . . . . 100 GLY N . 30285 1 1198 . 1 1 101 101 LYS H H 1 8.830 0.011 . 1 . . . . . 101 LYS H . 30285 1 1199 . 1 1 101 101 LYS HA H 1 3.908 0.011 . 1 . . . . . 101 LYS HA . 30285 1 1200 . 1 1 101 101 LYS HB2 H 1 1.494 0.011 . 1 . . . . . 101 LYS HB2 . 30285 1 1201 . 1 1 101 101 LYS HB3 H 1 1.348 0.011 . 1 . . . . . 101 LYS HB3 . 30285 1 1202 . 1 1 101 101 LYS HG2 H 1 1.138 0.011 . 1 . . . . . 101 LYS HG2 . 30285 1 1203 . 1 1 101 101 LYS HG3 H 1 1.165 0.011 . 1 . . . . . 101 LYS HG3 . 30285 1 1204 . 1 1 101 101 LYS HD2 H 1 1.582 0.011 . 1 . . . . . 101 LYS HD2 . 30285 1 1205 . 1 1 101 101 LYS HD3 H 1 1.582 0.011 . 1 . . . . . 101 LYS HD3 . 30285 1 1206 . 1 1 101 101 LYS HE2 H 1 2.921 0.011 . 1 . . . . . 101 LYS HE2 . 30285 1 1207 . 1 1 101 101 LYS HE3 H 1 2.921 0.011 . 1 . . . . . 101 LYS HE3 . 30285 1 1208 . 1 1 101 101 LYS CA C 13 58.505 0.051 . 1 . . . . . 101 LYS CA . 30285 1 1209 . 1 1 101 101 LYS CB C 13 32.261 0.051 . 1 . . . . . 101 LYS CB . 30285 1 1210 . 1 1 101 101 LYS CG C 13 24.483 0.051 . 1 . . . . . 101 LYS CG . 30285 1 1211 . 1 1 101 101 LYS CD C 13 28.873 0.051 . 1 . . . . . 101 LYS CD . 30285 1 1212 . 1 1 101 101 LYS CE C 13 41.635 0.051 . 1 . . . . . 101 LYS CE . 30285 1 1213 . 1 1 101 101 LYS N N 15 121.706 0.054 . 1 . . . . . 101 LYS N . 30285 1 1214 . 1 1 102 102 HIS H H 1 8.889 0.011 . 1 . . . . . 102 HIS H . 30285 1 1215 . 1 1 102 102 HIS HA H 1 5.432 0.011 . 1 . . . . . 102 HIS HA . 30285 1 1216 . 1 1 102 102 HIS HB2 H 1 3.832 0.011 . 1 . . . . . 102 HIS HB2 . 30285 1 1217 . 1 1 102 102 HIS HB3 H 1 3.156 0.011 . 1 . . . . . 102 HIS HB3 . 30285 1 1218 . 1 1 102 102 HIS HD2 H 1 7.583 0.011 . 1 . . . . . 102 HIS HD2 . 30285 1 1219 . 1 1 102 102 HIS HE1 H 1 8.586 0.011 . 1 . . . . . 102 HIS HE1 . 30285 1 1220 . 1 1 102 102 HIS CA C 13 55.530 0.051 . 1 . . . . . 102 HIS CA . 30285 1 1221 . 1 1 102 102 HIS CB C 13 30.015 0.051 . 1 . . . . . 102 HIS CB . 30285 1 1222 . 1 1 102 102 HIS CD2 C 13 121.898 0.051 . 1 . . . . . 102 HIS CD2 . 30285 1 1223 . 1 1 102 102 HIS CE1 C 13 136.225 0.051 . 1 . . . . . 102 HIS CE1 . 30285 1 1224 . 1 1 102 102 HIS N N 15 112.644 0.054 . 1 . . . . . 102 HIS N . 30285 1 1225 . 1 1 103 103 VAL H H 1 7.111 0.011 . 1 . . . . . 103 VAL H . 30285 1 1226 . 1 1 103 103 VAL HA H 1 5.297 0.011 . 1 . . . . . 103 VAL HA . 30285 1 1227 . 1 1 103 103 VAL HB H 1 1.992 0.011 . 1 . . . . . 103 VAL HB . 30285 1 1228 . 1 1 103 103 VAL HG11 H 1 0.976 0.011 . 1 . . . . . 103 VAL HG11 . 30285 1 1229 . 1 1 103 103 VAL HG12 H 1 0.976 0.011 . 1 . . . . . 103 VAL HG12 . 30285 1 1230 . 1 1 103 103 VAL HG13 H 1 0.976 0.011 . 1 . . . . . 103 VAL HG13 . 30285 1 1231 . 1 1 103 103 VAL HG21 H 1 0.980 0.011 . 1 . . . . . 103 VAL HG21 . 30285 1 1232 . 1 1 103 103 VAL HG22 H 1 0.980 0.011 . 1 . . . . . 103 VAL HG22 . 30285 1 1233 . 1 1 103 103 VAL HG23 H 1 0.980 0.011 . 1 . . . . . 103 VAL HG23 . 30285 1 1234 . 1 1 103 103 VAL CA C 13 60.926 0.051 . 1 . . . . . 103 VAL CA . 30285 1 1235 . 1 1 103 103 VAL CB C 13 36.048 0.051 . 1 . . . . . 103 VAL CB . 30285 1 1236 . 1 1 103 103 VAL CG1 C 13 21.619 0.051 . 1 . . . . . 103 VAL CG1 . 30285 1 1237 . 1 1 103 103 VAL CG2 C 13 22.077 0.051 . 1 . . . . . 103 VAL CG2 . 30285 1 1238 . 1 1 103 103 VAL N N 15 118.465 0.054 . 1 . . . . . 103 VAL N . 30285 1 1239 . 1 1 104 104 ASP H H 1 8.401 0.011 . 1 . . . . . 104 ASP H . 30285 1 1240 . 1 1 104 104 ASP HA H 1 5.051 0.011 . 1 . . . . . 104 ASP HA . 30285 1 1241 . 1 1 104 104 ASP HB2 H 1 2.896 0.011 . 1 . . . . . 104 ASP HB2 . 30285 1 1242 . 1 1 104 104 ASP HB3 H 1 3.414 0.011 . 1 . . . . . 104 ASP HB3 . 30285 1 1243 . 1 1 104 104 ASP CA C 13 52.051 0.051 . 1 . . . . . 104 ASP CA . 30285 1 1244 . 1 1 104 104 ASP CB C 13 42.660 0.051 . 1 . . . . . 104 ASP CB . 30285 1 1245 . 1 1 104 104 ASP N N 15 125.687 0.054 . 1 . . . . . 104 ASP N . 30285 1 1246 . 1 1 105 105 ALA H H 1 8.338 0.011 . 1 . . . . . 105 ALA H . 30285 1 1247 . 1 1 105 105 ALA HA H 1 3.930 0.011 . 1 . . . . . 105 ALA HA . 30285 1 1248 . 1 1 105 105 ALA HB1 H 1 1.420 0.011 . 1 . . . . . 105 ALA HB1 . 30285 1 1249 . 1 1 105 105 ALA HB2 H 1 1.420 0.011 . 1 . . . . . 105 ALA HB2 . 30285 1 1250 . 1 1 105 105 ALA HB3 H 1 1.420 0.011 . 1 . . . . . 105 ALA HB3 . 30285 1 1251 . 1 1 105 105 ALA CA C 13 54.578 0.051 . 1 . . . . . 105 ALA CA . 30285 1 1252 . 1 1 105 105 ALA CB C 13 18.478 0.051 . 1 . . . . . 105 ALA CB . 30285 1 1253 . 1 1 105 105 ALA N N 15 118.042 0.054 . 1 . . . . . 105 ALA N . 30285 1 1254 . 1 1 106 106 ASN H H 1 8.233 0.011 . 1 . . . . . 106 ASN H . 30285 1 1255 . 1 1 106 106 ASN HA H 1 4.881 0.011 . 1 . . . . . 106 ASN HA . 30285 1 1256 . 1 1 106 106 ASN HB2 H 1 3.092 0.011 . 1 . . . . . 106 ASN HB2 . 30285 1 1257 . 1 1 106 106 ASN HB3 H 1 3.107 0.011 . 1 . . . . . 106 ASN HB3 . 30285 1 1258 . 1 1 106 106 ASN HD21 H 1 7.001 0.011 . 1 . . . . . 106 ASN HD21 . 30285 1 1259 . 1 1 106 106 ASN HD22 H 1 8.065 0.011 . 1 . . . . . 106 ASN HD22 . 30285 1 1260 . 1 1 106 106 ASN CA C 13 52.801 0.051 . 1 . . . . . 106 ASN CA . 30285 1 1261 . 1 1 106 106 ASN CB C 13 39.094 0.051 . 1 . . . . . 106 ASN CB . 30285 1 1262 . 1 1 106 106 ASN N N 15 114.026 0.054 . 1 . . . . . 106 ASN N . 30285 1 1263 . 1 1 106 106 ASN ND2 N 15 114.265 0.054 . 1 . . . . . 106 ASN ND2 . 30285 1 1264 . 1 1 107 107 GLY H H 1 8.729 0.011 . 1 . . . . . 107 GLY H . 30285 1 1265 . 1 1 107 107 GLY HA2 H 1 3.556 0.011 . 1 . . . . . 107 GLY HA2 . 30285 1 1266 . 1 1 107 107 GLY HA3 H 1 4.624 0.011 . 1 . . . . . 107 GLY HA3 . 30285 1 1267 . 1 1 107 107 GLY CA C 13 45.341 0.051 . 1 . . . . . 107 GLY CA . 30285 1 1268 . 1 1 107 107 GLY N N 15 109.822 0.054 . 1 . . . . . 107 GLY N . 30285 1 1269 . 1 1 108 108 LYS H H 1 8.420 0.011 . 1 . . . . . 108 LYS H . 30285 1 1270 . 1 1 108 108 LYS HA H 1 3.772 0.011 . 1 . . . . . 108 LYS HA . 30285 1 1271 . 1 1 108 108 LYS HB2 H 1 1.950 0.011 . 1 . . . . . 108 LYS HB2 . 30285 1 1272 . 1 1 108 108 LYS HG2 H 1 0.790 0.011 . 1 . . . . . 108 LYS HG2 . 30285 1 1273 . 1 1 108 108 LYS HG3 H 1 0.648 0.011 . 1 . . . . . 108 LYS HG3 . 30285 1 1274 . 1 1 108 108 LYS HD2 H 1 1.449 0.011 . 1 . . . . . 108 LYS HD2 . 30285 1 1275 . 1 1 108 108 LYS HD3 H 1 1.548 0.011 . 1 . . . . . 108 LYS HD3 . 30285 1 1276 . 1 1 108 108 LYS HE2 H 1 2.732 0.011 . 1 . . . . . 108 LYS HE2 . 30285 1 1277 . 1 1 108 108 LYS HE3 H 1 2.778 0.011 . 1 . . . . . 108 LYS HE3 . 30285 1 1278 . 1 1 108 108 LYS CA C 13 57.668 0.051 . 1 . . . . . 108 LYS CA . 30285 1 1279 . 1 1 108 108 LYS CG C 13 25.423 0.051 . 1 . . . . . 108 LYS CG . 30285 1 1280 . 1 1 108 108 LYS CD C 13 29.104 0.051 . 1 . . . . . 108 LYS CD . 30285 1 1281 . 1 1 108 108 LYS CE C 13 42.217 0.051 . 1 . . . . . 108 LYS CE . 30285 1 1282 . 1 1 108 108 LYS N N 15 124.336 0.054 . 1 . . . . . 108 LYS N . 30285 1 1283 . 1 1 109 109 ILE H H 1 7.665 0.011 . 1 . . . . . 109 ILE H . 30285 1 1284 . 1 1 109 109 ILE HA H 1 4.982 0.011 . 1 . . . . . 109 ILE HA . 30285 1 1285 . 1 1 109 109 ILE HB H 1 1.309 0.011 . 1 . . . . . 109 ILE HB . 30285 1 1286 . 1 1 109 109 ILE HG12 H 1 1.919 0.011 . 1 . . . . . 109 ILE HG12 . 30285 1 1287 . 1 1 109 109 ILE HG13 H 1 1.066 0.011 . 1 . . . . . 109 ILE HG13 . 30285 1 1288 . 1 1 109 109 ILE HG21 H 1 0.888 0.011 . 1 . . . . . 109 ILE HG21 . 30285 1 1289 . 1 1 109 109 ILE HG22 H 1 0.888 0.011 . 1 . . . . . 109 ILE HG22 . 30285 1 1290 . 1 1 109 109 ILE HG23 H 1 0.888 0.011 . 1 . . . . . 109 ILE HG23 . 30285 1 1291 . 1 1 109 109 ILE HD11 H 1 0.875 0.011 . 1 . . . . . 109 ILE HD11 . 30285 1 1292 . 1 1 109 109 ILE HD12 H 1 0.875 0.011 . 1 . . . . . 109 ILE HD12 . 30285 1 1293 . 1 1 109 109 ILE HD13 H 1 0.875 0.011 . 1 . . . . . 109 ILE HD13 . 30285 1 1294 . 1 1 109 109 ILE CA C 13 59.850 0.051 . 1 . . . . . 109 ILE CA . 30285 1 1295 . 1 1 109 109 ILE CB C 13 39.790 0.051 . 1 . . . . . 109 ILE CB . 30285 1 1296 . 1 1 109 109 ILE CG1 C 13 28.491 0.051 . 1 . . . . . 109 ILE CG1 . 30285 1 1297 . 1 1 109 109 ILE CG2 C 13 17.198 0.051 . 1 . . . . . 109 ILE CG2 . 30285 1 1298 . 1 1 109 109 ILE CD1 C 13 14.402 0.051 . 1 . . . . . 109 ILE CD1 . 30285 1 1299 . 1 1 109 109 ILE N N 15 125.473 0.054 . 1 . . . . . 109 ILE N . 30285 1 1300 . 1 1 110 110 TYR H H 1 8.908 0.011 . 1 . . . . . 110 TYR H . 30285 1 1301 . 1 1 110 110 TYR HA H 1 4.682 0.011 . 1 . . . . . 110 TYR HA . 30285 1 1302 . 1 1 110 110 TYR HB2 H 1 2.961 0.011 . 1 . . . . . 110 TYR HB2 . 30285 1 1303 . 1 1 110 110 TYR HB3 H 1 2.980 0.011 . 1 . . . . . 110 TYR HB3 . 30285 1 1304 . 1 1 110 110 TYR HD1 H 1 7.071 0.011 . 1 . . . . . 110 TYR HD1 . 30285 1 1305 . 1 1 110 110 TYR HD2 H 1 7.071 0.011 . 1 . . . . . 110 TYR HD2 . 30285 1 1306 . 1 1 110 110 TYR HE1 H 1 6.700 0.011 . 1 . . . . . 110 TYR HE1 . 30285 1 1307 . 1 1 110 110 TYR HE2 H 1 6.700 0.011 . 1 . . . . . 110 TYR HE2 . 30285 1 1308 . 1 1 110 110 TYR CA C 13 57.022 0.051 . 1 . . . . . 110 TYR CA . 30285 1 1309 . 1 1 110 110 TYR CB C 13 40.083 0.051 . 1 . . . . . 110 TYR CB . 30285 1 1310 . 1 1 110 110 TYR CD1 C 13 133.845 0.051 . 1 . . . . . 110 TYR CD1 . 30285 1 1311 . 1 1 110 110 TYR CD2 C 13 133.845 0.051 . 1 . . . . . 110 TYR CD2 . 30285 1 1312 . 1 1 110 110 TYR CE1 C 13 117.560 0.051 . 1 . . . . . 110 TYR CE1 . 30285 1 1313 . 1 1 110 110 TYR CE2 C 13 117.560 0.051 . 1 . . . . . 110 TYR CE2 . 30285 1 1314 . 1 1 110 110 TYR N N 15 127.920 0.054 . 1 . . . . . 110 TYR N . 30285 1 1315 . 1 1 111 111 LEU H H 1 7.380 0.011 . 1 . . . . . 111 LEU H . 30285 1 1316 . 1 1 111 111 LEU HA H 1 4.991 0.011 . 1 . . . . . 111 LEU HA . 30285 1 1317 . 1 1 111 111 LEU HB2 H 1 1.591 0.011 . 1 . . . . . 111 LEU HB2 . 30285 1 1318 . 1 1 111 111 LEU HB3 H 1 1.346 0.011 . 1 . . . . . 111 LEU HB3 . 30285 1 1319 . 1 1 111 111 LEU HG H 1 0.853 0.011 . 1 . . . . . 111 LEU HG . 30285 1 1320 . 1 1 111 111 LEU HD11 H 1 0.662 0.011 . 1 . . . . . 111 LEU HD11 . 30285 1 1321 . 1 1 111 111 LEU HD12 H 1 0.662 0.011 . 1 . . . . . 111 LEU HD12 . 30285 1 1322 . 1 1 111 111 LEU HD13 H 1 0.662 0.011 . 1 . . . . . 111 LEU HD13 . 30285 1 1323 . 1 1 111 111 LEU HD21 H 1 0.621 0.011 . 1 . . . . . 111 LEU HD21 . 30285 1 1324 . 1 1 111 111 LEU HD22 H 1 0.621 0.011 . 1 . . . . . 111 LEU HD22 . 30285 1 1325 . 1 1 111 111 LEU HD23 H 1 0.621 0.011 . 1 . . . . . 111 LEU HD23 . 30285 1 1326 . 1 1 111 111 LEU CA C 13 51.538 0.051 . 1 . . . . . 111 LEU CA . 30285 1 1327 . 1 1 111 111 LEU CB C 13 47.371 0.051 . 1 . . . . . 111 LEU CB . 30285 1 1328 . 1 1 111 111 LEU CD1 C 13 23.744 0.051 . 1 . . . . . 111 LEU CD1 . 30285 1 1329 . 1 1 111 111 LEU CD2 C 13 26.598 0.051 . 1 . . . . . 111 LEU CD2 . 30285 1 1330 . 1 1 111 111 LEU N N 15 120.480 0.054 . 1 . . . . . 111 LEU N . 30285 1 1331 . 1 1 112 112 PRO HA H 1 4.399 0.011 . 1 . . . . . 112 PRO HA . 30285 1 1332 . 1 1 112 112 PRO HB2 H 1 2.467 0.011 . 1 . . . . . 112 PRO HB2 . 30285 1 1333 . 1 1 112 112 PRO HB3 H 1 2.160 0.011 . 1 . . . . . 112 PRO HB3 . 30285 1 1334 . 1 1 112 112 PRO HG2 H 1 2.149 0.011 . 1 . . . . . 112 PRO HG2 . 30285 1 1335 . 1 1 112 112 PRO HG3 H 1 2.297 0.011 . 1 . . . . . 112 PRO HG3 . 30285 1 1336 . 1 1 112 112 PRO HD2 H 1 3.801 0.011 . 1 . . . . . 112 PRO HD2 . 30285 1 1337 . 1 1 112 112 PRO HD3 H 1 3.996 0.011 . 1 . . . . . 112 PRO HD3 . 30285 1 1338 . 1 1 112 112 PRO CA C 13 65.895 0.051 . 1 . . . . . 112 PRO CA . 30285 1 1339 . 1 1 112 112 PRO CB C 13 31.120 0.051 . 1 . . . . . 112 PRO CB . 30285 1 1340 . 1 1 112 112 PRO CG C 13 27.867 0.051 . 1 . . . . . 112 PRO CG . 30285 1 1341 . 1 1 112 112 PRO CD C 13 50.643 0.051 . 1 . . . . . 112 PRO CD . 30285 1 1342 . 1 1 113 113 TYR H H 1 8.190 0.011 . 1 . . . . . 113 TYR H . 30285 1 1343 . 1 1 113 113 TYR HA H 1 3.871 0.011 . 1 . . . . . 113 TYR HA . 30285 1 1344 . 1 1 113 113 TYR HB2 H 1 3.368 0.011 . 1 . . . . . 113 TYR HB2 . 30285 1 1345 . 1 1 113 113 TYR HB3 H 1 2.475 0.011 . 1 . . . . . 113 TYR HB3 . 30285 1 1346 . 1 1 113 113 TYR HD1 H 1 7.039 0.011 . 1 . . . . . 113 TYR HD1 . 30285 1 1347 . 1 1 113 113 TYR HD2 H 1 7.039 0.011 . 1 . . . . . 113 TYR HD2 . 30285 1 1348 . 1 1 113 113 TYR HE1 H 1 6.903 0.011 . 1 . . . . . 113 TYR HE1 . 30285 1 1349 . 1 1 113 113 TYR HE2 H 1 6.903 0.011 . 1 . . . . . 113 TYR HE2 . 30285 1 1350 . 1 1 113 113 TYR CA C 13 61.227 0.051 . 1 . . . . . 113 TYR CA . 30285 1 1351 . 1 1 113 113 TYR CB C 13 40.423 0.051 . 1 . . . . . 113 TYR CB . 30285 1 1352 . 1 1 113 113 TYR CD1 C 13 133.553 0.051 . 1 . . . . . 113 TYR CD1 . 30285 1 1353 . 1 1 113 113 TYR CD2 C 13 133.553 0.051 . 1 . . . . . 113 TYR CD2 . 30285 1 1354 . 1 1 113 113 TYR CE1 C 13 118.074 0.051 . 1 . . . . . 113 TYR CE1 . 30285 1 1355 . 1 1 113 113 TYR CE2 C 13 118.074 0.051 . 1 . . . . . 113 TYR CE2 . 30285 1 1356 . 1 1 113 113 TYR N N 15 115.006 0.054 . 1 . . . . . 113 TYR N . 30285 1 1357 . 1 1 114 114 LEU H H 1 7.158 0.011 . 1 . . . . . 114 LEU H . 30285 1 1358 . 1 1 114 114 LEU HA H 1 4.552 0.011 . 1 . . . . . 114 LEU HA . 30285 1 1359 . 1 1 114 114 LEU HB2 H 1 2.282 0.011 . 1 . . . . . 114 LEU HB2 . 30285 1 1360 . 1 1 114 114 LEU HB3 H 1 1.725 0.011 . 1 . . . . . 114 LEU HB3 . 30285 1 1361 . 1 1 114 114 LEU HG H 1 0.833 0.011 . 1 . . . . . 114 LEU HG . 30285 1 1362 . 1 1 114 114 LEU HD11 H 1 1.055 0.011 . 1 . . . . . 114 LEU HD11 . 30285 1 1363 . 1 1 114 114 LEU HD12 H 1 1.055 0.011 . 1 . . . . . 114 LEU HD12 . 30285 1 1364 . 1 1 114 114 LEU HD13 H 1 1.055 0.011 . 1 . . . . . 114 LEU HD13 . 30285 1 1365 . 1 1 114 114 LEU HD21 H 1 1.005 0.011 . 1 . . . . . 114 LEU HD21 . 30285 1 1366 . 1 1 114 114 LEU HD22 H 1 1.005 0.011 . 1 . . . . . 114 LEU HD22 . 30285 1 1367 . 1 1 114 114 LEU HD23 H 1 1.005 0.011 . 1 . . . . . 114 LEU HD23 . 30285 1 1368 . 1 1 114 114 LEU CA C 13 56.853 0.051 . 1 . . . . . 114 LEU CA . 30285 1 1369 . 1 1 114 114 LEU CB C 13 42.325 0.051 . 1 . . . . . 114 LEU CB . 30285 1 1370 . 1 1 114 114 LEU CD1 C 13 24.253 0.051 . 1 . . . . . 114 LEU CD1 . 30285 1 1371 . 1 1 114 114 LEU CD2 C 13 25.862 0.051 . 1 . . . . . 114 LEU CD2 . 30285 1 1372 . 1 1 114 114 LEU N N 15 112.254 0.054 . 1 . . . . . 114 LEU N . 30285 1 1373 . 1 1 115 115 HIS H H 1 7.942 0.011 . 1 . . . . . 115 HIS H . 30285 1 1374 . 1 1 115 115 HIS HA H 1 4.439 0.011 . 1 . . . . . 115 HIS HA . 30285 1 1375 . 1 1 115 115 HIS HB2 H 1 3.375 0.011 . 1 . . . . . 115 HIS HB2 . 30285 1 1376 . 1 1 115 115 HIS HB3 H 1 3.381 0.011 . 1 . . . . . 115 HIS HB3 . 30285 1 1377 . 1 1 115 115 HIS HD2 H 1 7.379 0.011 . 1 . . . . . 115 HIS HD2 . 30285 1 1378 . 1 1 115 115 HIS HE1 H 1 8.468 0.011 . 1 . . . . . 115 HIS HE1 . 30285 1 1379 . 1 1 115 115 HIS CA C 13 59.079 0.051 . 1 . . . . . 115 HIS CA . 30285 1 1380 . 1 1 115 115 HIS CB C 13 29.780 0.051 . 1 . . . . . 115 HIS CB . 30285 1 1381 . 1 1 115 115 HIS CD2 C 13 120.318 0.051 . 1 . . . . . 115 HIS CD2 . 30285 1 1382 . 1 1 115 115 HIS CE1 C 13 137.057 0.051 . 1 . . . . . 115 HIS CE1 . 30285 1 1383 . 1 1 115 115 HIS N N 15 120.253 0.054 . 1 . . . . . 115 HIS N . 30285 1 1384 . 1 1 116 116 GLU H H 1 8.369 0.011 . 1 . . . . . 116 GLU H . 30285 1 1385 . 1 1 116 116 GLU HA H 1 4.272 0.011 . 1 . . . . . 116 GLU HA . 30285 1 1386 . 1 1 116 116 GLU HB2 H 1 2.135 0.011 . 1 . . . . . 116 GLU HB2 . 30285 1 1387 . 1 1 116 116 GLU HB3 H 1 1.640 0.011 . 1 . . . . . 116 GLU HB3 . 30285 1 1388 . 1 1 116 116 GLU HG2 H 1 2.254 0.011 . 1 . . . . . 116 GLU HG2 . 30285 1 1389 . 1 1 116 116 GLU HG3 H 1 2.304 0.011 . 1 . . . . . 116 GLU HG3 . 30285 1 1390 . 1 1 116 116 GLU CA C 13 54.574 0.051 . 1 . . . . . 116 GLU CA . 30285 1 1391 . 1 1 116 116 GLU CB C 13 28.747 0.051 . 1 . . . . . 116 GLU CB . 30285 1 1392 . 1 1 116 116 GLU CG C 13 36.137 0.051 . 1 . . . . . 116 GLU CG . 30285 1 1393 . 1 1 116 116 GLU N N 15 115.782 0.054 . 1 . . . . . 116 GLU N . 30285 1 1394 . 1 1 117 117 TRP H H 1 6.795 0.011 . 1 . . . . . 117 TRP H . 30285 1 1395 . 1 1 117 117 TRP HA H 1 3.733 0.011 . 1 . . . . . 117 TRP HA . 30285 1 1396 . 1 1 117 117 TRP HB2 H 1 3.569 0.011 . 1 . . . . . 117 TRP HB2 . 30285 1 1397 . 1 1 117 117 TRP HB3 H 1 2.992 0.011 . 1 . . . . . 117 TRP HB3 . 30285 1 1398 . 1 1 117 117 TRP HD1 H 1 6.753 0.011 . 1 . . . . . 117 TRP HD1 . 30285 1 1399 . 1 1 117 117 TRP HE1 H 1 10.231 0.011 . 1 . . . . . 117 TRP HE1 . 30285 1 1400 . 1 1 117 117 TRP HE3 H 1 7.684 0.011 . 1 . . . . . 117 TRP HE3 . 30285 1 1401 . 1 1 117 117 TRP HZ2 H 1 7.550 0.011 . 1 . . . . . 117 TRP HZ2 . 30285 1 1402 . 1 1 117 117 TRP HZ3 H 1 6.629 0.011 . 1 . . . . . 117 TRP HZ3 . 30285 1 1403 . 1 1 117 117 TRP HH2 H 1 7.083 0.011 . 1 . . . . . 117 TRP HH2 . 30285 1 1404 . 1 1 117 117 TRP CA C 13 58.675 0.051 . 1 . . . . . 117 TRP CA . 30285 1 1405 . 1 1 117 117 TRP CB C 13 29.918 0.051 . 1 . . . . . 117 TRP CB . 30285 1 1406 . 1 1 117 117 TRP CD1 C 13 126.428 0.051 . 1 . . . . . 117 TRP CD1 . 30285 1 1407 . 1 1 117 117 TRP CE3 C 13 119.049 0.051 . 1 . . . . . 117 TRP CE3 . 30285 1 1408 . 1 1 117 117 TRP CZ2 C 13 116.452 0.051 . 1 . . . . . 117 TRP CZ2 . 30285 1 1409 . 1 1 117 117 TRP CH2 C 13 123.713 0.051 . 1 . . . . . 117 TRP CH2 . 30285 1 1410 . 1 1 117 117 TRP N N 15 121.879 0.054 . 1 . . . . . 117 TRP N . 30285 1 1411 . 1 1 117 117 TRP NE1 N 15 131.151 0.054 . 1 . . . . . 117 TRP NE1 . 30285 1 1412 . 1 1 118 118 LYS H H 1 8.127 0.011 . 1 . . . . . 118 LYS H . 30285 1 1413 . 1 1 118 118 LYS HA H 1 4.444 0.011 . 1 . . . . . 118 LYS HA . 30285 1 1414 . 1 1 118 118 LYS HB2 H 1 1.597 0.011 . 1 . . . . . 118 LYS HB2 . 30285 1 1415 . 1 1 118 118 LYS HB3 H 1 1.614 0.011 . 1 . . . . . 118 LYS HB3 . 30285 1 1416 . 1 1 118 118 LYS HG2 H 1 1.294 0.011 . 1 . . . . . 118 LYS HG2 . 30285 1 1417 . 1 1 118 118 LYS HG3 H 1 1.329 0.011 . 1 . . . . . 118 LYS HG3 . 30285 1 1418 . 1 1 118 118 LYS HD2 H 1 1.601 0.011 . 1 . . . . . 118 LYS HD2 . 30285 1 1419 . 1 1 118 118 LYS HD3 H 1 1.606 0.011 . 1 . . . . . 118 LYS HD3 . 30285 1 1420 . 1 1 118 118 LYS HE2 H 1 2.915 0.011 . 1 . . . . . 118 LYS HE2 . 30285 1 1421 . 1 1 118 118 LYS HE3 H 1 2.915 0.011 . 1 . . . . . 118 LYS HE3 . 30285 1 1422 . 1 1 118 118 LYS CA C 13 55.486 0.051 . 1 . . . . . 118 LYS CA . 30285 1 1423 . 1 1 118 118 LYS CB C 13 34.550 0.051 . 1 . . . . . 118 LYS CB . 30285 1 1424 . 1 1 118 118 LYS CG C 13 23.971 0.051 . 1 . . . . . 118 LYS CG . 30285 1 1425 . 1 1 118 118 LYS CD C 13 29.027 0.051 . 1 . . . . . 118 LYS CD . 30285 1 1426 . 1 1 118 118 LYS CE C 13 41.697 0.051 . 1 . . . . . 118 LYS CE . 30285 1 1427 . 1 1 118 118 LYS N N 15 129.031 0.054 . 1 . . . . . 118 LYS N . 30285 1 1428 . 1 1 119 119 HIS H H 1 9.199 0.011 . 1 . . . . . 119 HIS H . 30285 1 1429 . 1 1 119 119 HIS HA H 1 4.391 0.011 . 1 . . . . . 119 HIS HA . 30285 1 1430 . 1 1 119 119 HIS HB2 H 1 2.690 0.011 . 1 . . . . . 119 HIS HB2 . 30285 1 1431 . 1 1 119 119 HIS HB3 H 1 2.478 0.011 . 1 . . . . . 119 HIS HB3 . 30285 1 1432 . 1 1 119 119 HIS HD2 H 1 6.725 0.011 . 1 . . . . . 119 HIS HD2 . 30285 1 1433 . 1 1 119 119 HIS HE1 H 1 8.383 0.011 . 1 . . . . . 119 HIS HE1 . 30285 1 1434 . 1 1 119 119 HIS CA C 13 54.298 0.051 . 1 . . . . . 119 HIS CA . 30285 1 1435 . 1 1 119 119 HIS CB C 13 28.856 0.051 . 1 . . . . . 119 HIS CB . 30285 1 1436 . 1 1 119 119 HIS CD2 C 13 122.172 0.051 . 1 . . . . . 119 HIS CD2 . 30285 1 1437 . 1 1 119 119 HIS CE1 C 13 138.098 0.051 . 1 . . . . . 119 HIS CE1 . 30285 1 1438 . 1 1 119 119 HIS N N 15 128.736 0.054 . 1 . . . . . 119 HIS N . 30285 1 1439 . 1 1 120 120 PRO HA H 1 2.523 0.011 . 1 . . . . . 120 PRO HA . 30285 1 1440 . 1 1 120 120 PRO HB2 H 1 1.882 0.011 . 1 . . . . . 120 PRO HB2 . 30285 1 1441 . 1 1 120 120 PRO HB3 H 1 0.765 0.011 . 1 . . . . . 120 PRO HB3 . 30285 1 1442 . 1 1 120 120 PRO HG2 H 1 1.675 0.011 . 1 . . . . . 120 PRO HG2 . 30285 1 1443 . 1 1 120 120 PRO HG3 H 1 1.397 0.011 . 1 . . . . . 120 PRO HG3 . 30285 1 1444 . 1 1 120 120 PRO HD2 H 1 2.355 0.011 . 1 . . . . . 120 PRO HD2 . 30285 1 1445 . 1 1 120 120 PRO HD3 H 1 2.355 0.011 . 1 . . . . . 120 PRO HD3 . 30285 1 1446 . 1 1 120 120 PRO CA C 13 59.938 0.051 . 1 . . . . . 120 PRO CA . 30285 1 1447 . 1 1 120 120 PRO CB C 13 33.614 0.051 . 1 . . . . . 120 PRO CB . 30285 1 1448 . 1 1 120 120 PRO CG C 13 23.647 0.051 . 1 . . . . . 120 PRO CG . 30285 1 1449 . 1 1 120 120 PRO CD C 13 49.285 0.051 . 1 . . . . . 120 PRO CD . 30285 1 1450 . 1 1 121 121 GLN H H 1 7.922 0.011 . 1 . . . . . 121 GLN H . 30285 1 1451 . 1 1 121 121 GLN HA H 1 3.779 0.011 . 1 . . . . . 121 GLN HA . 30285 1 1452 . 1 1 121 121 GLN HB2 H 1 2.011 0.011 . 1 . . . . . 121 GLN HB2 . 30285 1 1453 . 1 1 121 121 GLN HB3 H 1 1.863 0.011 . 1 . . . . . 121 GLN HB3 . 30285 1 1454 . 1 1 121 121 GLN HG2 H 1 2.371 0.011 . 1 . . . . . 121 GLN HG2 . 30285 1 1455 . 1 1 121 121 GLN HG3 H 1 2.164 0.011 . 1 . . . . . 121 GLN HG3 . 30285 1 1456 . 1 1 121 121 GLN HE21 H 1 6.642 0.011 . 1 . . . . . 121 GLN HE21 . 30285 1 1457 . 1 1 121 121 GLN HE22 H 1 7.356 0.011 . 1 . . . . . 121 GLN HE22 . 30285 1 1458 . 1 1 121 121 GLN CA C 13 59.945 0.051 . 1 . . . . . 121 GLN CA . 30285 1 1459 . 1 1 121 121 GLN CB C 13 27.719 0.051 . 1 . . . . . 121 GLN CB . 30285 1 1460 . 1 1 121 121 GLN CG C 13 34.453 0.051 . 1 . . . . . 121 GLN CG . 30285 1 1461 . 1 1 121 121 GLN N N 15 125.922 0.054 . 1 . . . . . 121 GLN N . 30285 1 1462 . 1 1 121 121 GLN NE2 N 15 111.412 0.054 . 1 . . . . . 121 GLN NE2 . 30285 1 1463 . 1 1 122 122 SER H H 1 7.769 0.011 . 1 . . . . . 122 SER H . 30285 1 1464 . 1 1 122 122 SER HA H 1 4.290 0.011 . 1 . . . . . 122 SER HA . 30285 1 1465 . 1 1 122 122 SER HB2 H 1 1.199 0.011 . 1 . . . . . 122 SER HB2 . 30285 1 1466 . 1 1 122 122 SER HB3 H 1 1.908 0.011 . 1 . . . . . 122 SER HB3 . 30285 1 1467 . 1 1 122 122 SER CA C 13 56.612 0.051 . 1 . . . . . 122 SER CA . 30285 1 1468 . 1 1 122 122 SER CB C 13 60.644 0.051 . 1 . . . . . 122 SER CB . 30285 1 1469 . 1 1 122 122 SER N N 15 116.695 0.054 . 1 . . . . . 122 SER N . 30285 1 1470 . 1 1 123 123 ASP H H 1 8.386 0.011 . 1 . . . . . 123 ASP H . 30285 1 1471 . 1 1 123 123 ASP HA H 1 4.560 0.011 . 1 . . . . . 123 ASP HA . 30285 1 1472 . 1 1 123 123 ASP HB2 H 1 3.166 0.011 . 1 . . . . . 123 ASP HB2 . 30285 1 1473 . 1 1 123 123 ASP HB3 H 1 2.750 0.011 . 1 . . . . . 123 ASP HB3 . 30285 1 1474 . 1 1 123 123 ASP CA C 13 53.089 0.051 . 1 . . . . . 123 ASP CA . 30285 1 1475 . 1 1 123 123 ASP CB C 13 41.948 0.051 . 1 . . . . . 123 ASP CB . 30285 1 1476 . 1 1 123 123 ASP N N 15 120.742 0.054 . 1 . . . . . 123 ASP N . 30285 1 1477 . 1 1 124 124 LEU H H 1 8.359 0.011 . 1 . . . . . 124 LEU H . 30285 1 1478 . 1 1 124 124 LEU HA H 1 4.257 0.011 . 1 . . . . . 124 LEU HA . 30285 1 1479 . 1 1 124 124 LEU HB2 H 1 1.457 0.011 . 1 . . . . . 124 LEU HB2 . 30285 1 1480 . 1 1 124 124 LEU HB3 H 1 2.052 0.011 . 1 . . . . . 124 LEU HB3 . 30285 1 1481 . 1 1 124 124 LEU HG H 1 2.167 0.011 . 1 . . . . . 124 LEU HG . 30285 1 1482 . 1 1 124 124 LEU HD11 H 1 0.753 0.011 . 1 . . . . . 124 LEU HD11 . 30285 1 1483 . 1 1 124 124 LEU HD12 H 1 0.753 0.011 . 1 . . . . . 124 LEU HD12 . 30285 1 1484 . 1 1 124 124 LEU HD13 H 1 0.753 0.011 . 1 . . . . . 124 LEU HD13 . 30285 1 1485 . 1 1 124 124 LEU HD21 H 1 0.761 0.011 . 1 . . . . . 124 LEU HD21 . 30285 1 1486 . 1 1 124 124 LEU HD22 H 1 0.761 0.011 . 1 . . . . . 124 LEU HD22 . 30285 1 1487 . 1 1 124 124 LEU HD23 H 1 0.761 0.011 . 1 . . . . . 124 LEU HD23 . 30285 1 1488 . 1 1 124 124 LEU CA C 13 58.241 0.051 . 1 . . . . . 124 LEU CA . 30285 1 1489 . 1 1 124 124 LEU CB C 13 42.681 0.051 . 1 . . . . . 124 LEU CB . 30285 1 1490 . 1 1 124 124 LEU CG C 13 26.808 0.051 . 1 . . . . . 124 LEU CG . 30285 1 1491 . 1 1 124 124 LEU CD1 C 13 24.346 0.051 . 1 . . . . . 124 LEU CD1 . 30285 1 1492 . 1 1 124 124 LEU CD2 C 13 25.034 0.051 . 1 . . . . . 124 LEU CD2 . 30285 1 1493 . 1 1 124 124 LEU N N 15 119.347 0.054 . 1 . . . . . 124 LEU N . 30285 1 1494 . 1 1 125 125 LEU H H 1 8.126 0.011 . 1 . . . . . 125 LEU H . 30285 1 1495 . 1 1 125 125 LEU HA H 1 3.972 0.011 . 1 . . . . . 125 LEU HA . 30285 1 1496 . 1 1 125 125 LEU HB2 H 1 1.705 0.011 . 1 . . . . . 125 LEU HB2 . 30285 1 1497 . 1 1 125 125 LEU HB3 H 1 1.578 0.011 . 1 . . . . . 125 LEU HB3 . 30285 1 1498 . 1 1 125 125 LEU HG H 1 1.714 0.011 . 1 . . . . . 125 LEU HG . 30285 1 1499 . 1 1 125 125 LEU HD11 H 1 0.979 0.011 . 1 . . . . . 125 LEU HD11 . 30285 1 1500 . 1 1 125 125 LEU HD12 H 1 0.979 0.011 . 1 . . . . . 125 LEU HD12 . 30285 1 1501 . 1 1 125 125 LEU HD13 H 1 0.979 0.011 . 1 . . . . . 125 LEU HD13 . 30285 1 1502 . 1 1 125 125 LEU HD21 H 1 0.998 0.011 . 1 . . . . . 125 LEU HD21 . 30285 1 1503 . 1 1 125 125 LEU HD22 H 1 0.998 0.011 . 1 . . . . . 125 LEU HD22 . 30285 1 1504 . 1 1 125 125 LEU HD23 H 1 0.998 0.011 . 1 . . . . . 125 LEU HD23 . 30285 1 1505 . 1 1 125 125 LEU CA C 13 58.180 0.051 . 1 . . . . . 125 LEU CA . 30285 1 1506 . 1 1 125 125 LEU CB C 13 41.403 0.051 . 1 . . . . . 125 LEU CB . 30285 1 1507 . 1 1 125 125 LEU CG C 13 27.123 0.051 . 1 . . . . . 125 LEU CG . 30285 1 1508 . 1 1 125 125 LEU CD1 C 13 25.030 0.051 . 1 . . . . . 125 LEU CD1 . 30285 1 1509 . 1 1 125 125 LEU CD2 C 13 25.523 0.051 . 1 . . . . . 125 LEU CD2 . 30285 1 1510 . 1 1 125 125 LEU N N 15 118.684 0.054 . 1 . . . . . 125 LEU N . 30285 1 1511 . 1 1 126 126 GLY H H 1 8.861 0.011 . 1 . . . . . 126 GLY H . 30285 1 1512 . 1 1 126 126 GLY HA2 H 1 3.919 0.011 . 1 . . . . . 126 GLY HA2 . 30285 1 1513 . 1 1 126 126 GLY HA3 H 1 3.604 0.011 . 1 . . . . . 126 GLY HA3 . 30285 1 1514 . 1 1 126 126 GLY CA C 13 46.451 0.051 . 1 . . . . . 126 GLY CA . 30285 1 1515 . 1 1 126 126 GLY N N 15 109.849 0.054 . 1 . . . . . 126 GLY N . 30285 1 1516 . 1 1 127 127 LEU H H 1 7.963 0.011 . 1 . . . . . 127 LEU H . 30285 1 1517 . 1 1 127 127 LEU HA H 1 3.155 0.011 . 1 . . . . . 127 LEU HA . 30285 1 1518 . 1 1 127 127 LEU HB2 H 1 2.453 0.011 . 1 . . . . . 127 LEU HB2 . 30285 1 1519 . 1 1 127 127 LEU HB3 H 1 1.834 0.011 . 1 . . . . . 127 LEU HB3 . 30285 1 1520 . 1 1 127 127 LEU HG H 1 1.052 0.011 . 1 . . . . . 127 LEU HG . 30285 1 1521 . 1 1 127 127 LEU HD11 H 1 1.032 0.011 . 1 . . . . . 127 LEU HD11 . 30285 1 1522 . 1 1 127 127 LEU HD12 H 1 1.032 0.011 . 1 . . . . . 127 LEU HD12 . 30285 1 1523 . 1 1 127 127 LEU HD13 H 1 1.032 0.011 . 1 . . . . . 127 LEU HD13 . 30285 1 1524 . 1 1 127 127 LEU HD21 H 1 0.901 0.011 . 1 . . . . . 127 LEU HD21 . 30285 1 1525 . 1 1 127 127 LEU HD22 H 1 0.901 0.011 . 1 . . . . . 127 LEU HD22 . 30285 1 1526 . 1 1 127 127 LEU HD23 H 1 0.901 0.011 . 1 . . . . . 127 LEU HD23 . 30285 1 1527 . 1 1 127 127 LEU CA C 13 57.149 0.051 . 1 . . . . . 127 LEU CA . 30285 1 1528 . 1 1 127 127 LEU CB C 13 41.700 0.051 . 1 . . . . . 127 LEU CB . 30285 1 1529 . 1 1 127 127 LEU CG C 13 27.707 0.051 . 1 . . . . . 127 LEU CG . 30285 1 1530 . 1 1 127 127 LEU CD2 C 13 23.604 0.051 . 1 . . . . . 127 LEU CD2 . 30285 1 1531 . 1 1 127 127 LEU N N 15 123.060 0.054 . 1 . . . . . 127 LEU N . 30285 1 1532 . 1 1 128 128 ILE H H 1 8.162 0.011 . 1 . . . . . 128 ILE H . 30285 1 1533 . 1 1 128 128 ILE HA H 1 3.364 0.011 . 1 . . . . . 128 ILE HA . 30285 1 1534 . 1 1 128 128 ILE HB H 1 1.660 0.011 . 1 . . . . . 128 ILE HB . 30285 1 1535 . 1 1 128 128 ILE HG12 H 1 1.385 0.011 . 1 . . . . . 128 ILE HG12 . 30285 1 1536 . 1 1 128 128 ILE HG13 H 1 0.983 0.011 . 1 . . . . . 128 ILE HG13 . 30285 1 1537 . 1 1 128 128 ILE HG21 H 1 0.153 0.011 . 1 . . . . . 128 ILE HG21 . 30285 1 1538 . 1 1 128 128 ILE HG22 H 1 0.153 0.011 . 1 . . . . . 128 ILE HG22 . 30285 1 1539 . 1 1 128 128 ILE HG23 H 1 0.153 0.011 . 1 . . . . . 128 ILE HG23 . 30285 1 1540 . 1 1 128 128 ILE HD11 H 1 0.430 0.011 . 1 . . . . . 128 ILE HD11 . 30285 1 1541 . 1 1 128 128 ILE HD12 H 1 0.430 0.011 . 1 . . . . . 128 ILE HD12 . 30285 1 1542 . 1 1 128 128 ILE HD13 H 1 0.430 0.011 . 1 . . . . . 128 ILE HD13 . 30285 1 1543 . 1 1 128 128 ILE CA C 13 64.524 0.051 . 1 . . . . . 128 ILE CA . 30285 1 1544 . 1 1 128 128 ILE CB C 13 36.773 0.051 . 1 . . . . . 128 ILE CB . 30285 1 1545 . 1 1 128 128 ILE CG1 C 13 29.153 0.051 . 1 . . . . . 128 ILE CG1 . 30285 1 1546 . 1 1 128 128 ILE CG2 C 13 17.165 0.051 . 1 . . . . . 128 ILE CG2 . 30285 1 1547 . 1 1 128 128 ILE CD1 C 13 12.393 0.051 . 1 . . . . . 128 ILE CD1 . 30285 1 1548 . 1 1 128 128 ILE N N 15 119.617 0.054 . 1 . . . . . 128 ILE N . 30285 1 1549 . 1 1 129 129 GLN H H 1 7.871 0.011 . 1 . . . . . 129 GLN H . 30285 1 1550 . 1 1 129 129 GLN HA H 1 3.849 0.011 . 1 . . . . . 129 GLN HA . 30285 1 1551 . 1 1 129 129 GLN HB2 H 1 2.028 0.011 . 1 . . . . . 129 GLN HB2 . 30285 1 1552 . 1 1 129 129 GLN HB3 H 1 2.182 0.011 . 1 . . . . . 129 GLN HB3 . 30285 1 1553 . 1 1 129 129 GLN HG2 H 1 2.549 0.011 . 1 . . . . . 129 GLN HG2 . 30285 1 1554 . 1 1 129 129 GLN HG3 H 1 2.354 0.011 . 1 . . . . . 129 GLN HG3 . 30285 1 1555 . 1 1 129 129 GLN HE21 H 1 7.351 0.011 . 1 . . . . . 129 GLN HE21 . 30285 1 1556 . 1 1 129 129 GLN HE22 H 1 6.894 0.011 . 1 . . . . . 129 GLN HE22 . 30285 1 1557 . 1 1 129 129 GLN CA C 13 59.770 0.051 . 1 . . . . . 129 GLN CA . 30285 1 1558 . 1 1 129 129 GLN CB C 13 27.911 0.051 . 1 . . . . . 129 GLN CB . 30285 1 1559 . 1 1 129 129 GLN CG C 13 34.353 0.051 . 1 . . . . . 129 GLN CG . 30285 1 1560 . 1 1 129 129 GLN N N 15 117.153 0.054 . 1 . . . . . 129 GLN N . 30285 1 1561 . 1 1 129 129 GLN NE2 N 15 111.705 0.054 . 1 . . . . . 129 GLN NE2 . 30285 1 1562 . 1 1 130 130 VAL H H 1 7.482 0.011 . 1 . . . . . 130 VAL H . 30285 1 1563 . 1 1 130 130 VAL HA H 1 3.635 0.011 . 1 . . . . . 130 VAL HA . 30285 1 1564 . 1 1 130 130 VAL HB H 1 1.880 0.011 . 1 . . . . . 130 VAL HB . 30285 1 1565 . 1 1 130 130 VAL HG11 H 1 0.829 0.011 . 1 . . . . . 130 VAL HG11 . 30285 1 1566 . 1 1 130 130 VAL HG12 H 1 0.829 0.011 . 1 . . . . . 130 VAL HG12 . 30285 1 1567 . 1 1 130 130 VAL HG13 H 1 0.829 0.011 . 1 . . . . . 130 VAL HG13 . 30285 1 1568 . 1 1 130 130 VAL HG21 H 1 0.832 0.011 . 1 . . . . . 130 VAL HG21 . 30285 1 1569 . 1 1 130 130 VAL HG22 H 1 0.832 0.011 . 1 . . . . . 130 VAL HG22 . 30285 1 1570 . 1 1 130 130 VAL HG23 H 1 0.832 0.011 . 1 . . . . . 130 VAL HG23 . 30285 1 1571 . 1 1 130 130 VAL CA C 13 66.096 0.051 . 1 . . . . . 130 VAL CA . 30285 1 1572 . 1 1 130 130 VAL CB C 13 30.978 0.051 . 1 . . . . . 130 VAL CB . 30285 1 1573 . 1 1 130 130 VAL CG1 C 13 23.127 0.051 . 1 . . . . . 130 VAL CG1 . 30285 1 1574 . 1 1 130 130 VAL CG2 C 13 22.118 0.051 . 1 . . . . . 130 VAL CG2 . 30285 1 1575 . 1 1 130 130 VAL N N 15 119.150 0.054 . 1 . . . . . 130 VAL N . 30285 1 1576 . 1 1 131 131 MET H H 1 8.110 0.011 . 1 . . . . . 131 MET H . 30285 1 1577 . 1 1 131 131 MET HA H 1 2.985 0.011 . 1 . . . . . 131 MET HA . 30285 1 1578 . 1 1 131 131 MET HB2 H 1 2.011 0.011 . 1 . . . . . 131 MET HB2 . 30285 1 1579 . 1 1 131 131 MET HB3 H 1 1.397 0.011 . 1 . . . . . 131 MET HB3 . 30285 1 1580 . 1 1 131 131 MET HG2 H 1 2.311 0.011 . 1 . . . . . 131 MET HG2 . 30285 1 1581 . 1 1 131 131 MET HG3 H 1 1.652 0.011 . 1 . . . . . 131 MET HG3 . 30285 1 1582 . 1 1 131 131 MET HE1 H 1 1.811 0.011 . 1 . . . . . 131 MET HE1 . 30285 1 1583 . 1 1 131 131 MET HE2 H 1 1.811 0.011 . 1 . . . . . 131 MET HE2 . 30285 1 1584 . 1 1 131 131 MET HE3 H 1 1.811 0.011 . 1 . . . . . 131 MET HE3 . 30285 1 1585 . 1 1 131 131 MET CA C 13 60.317 0.051 . 1 . . . . . 131 MET CA . 30285 1 1586 . 1 1 131 131 MET CB C 13 32.635 0.051 . 1 . . . . . 131 MET CB . 30285 1 1587 . 1 1 131 131 MET CG C 13 33.676 0.051 . 1 . . . . . 131 MET CG . 30285 1 1588 . 1 1 131 131 MET CE C 13 17.395 0.051 . 1 . . . . . 131 MET CE . 30285 1 1589 . 1 1 131 131 MET N N 15 120.415 0.054 . 1 . . . . . 131 MET N . 30285 1 1590 . 1 1 132 132 ILE H H 1 8.029 0.011 . 1 . . . . . 132 ILE H . 30285 1 1591 . 1 1 132 132 ILE HA H 1 3.508 0.011 . 1 . . . . . 132 ILE HA . 30285 1 1592 . 1 1 132 132 ILE HB H 1 1.874 0.011 . 1 . . . . . 132 ILE HB . 30285 1 1593 . 1 1 132 132 ILE HG12 H 1 1.015 0.011 . 1 . . . . . 132 ILE HG12 . 30285 1 1594 . 1 1 132 132 ILE HG13 H 1 1.744 0.011 . 1 . . . . . 132 ILE HG13 . 30285 1 1595 . 1 1 132 132 ILE HG21 H 1 1.072 0.011 . 1 . . . . . 132 ILE HG21 . 30285 1 1596 . 1 1 132 132 ILE HG22 H 1 1.072 0.011 . 1 . . . . . 132 ILE HG22 . 30285 1 1597 . 1 1 132 132 ILE HG23 H 1 1.072 0.011 . 1 . . . . . 132 ILE HG23 . 30285 1 1598 . 1 1 132 132 ILE HD11 H 1 0.886 0.011 . 1 . . . . . 132 ILE HD11 . 30285 1 1599 . 1 1 132 132 ILE HD12 H 1 0.886 0.011 . 1 . . . . . 132 ILE HD12 . 30285 1 1600 . 1 1 132 132 ILE HD13 H 1 0.886 0.011 . 1 . . . . . 132 ILE HD13 . 30285 1 1601 . 1 1 132 132 ILE CA C 13 66.271 0.051 . 1 . . . . . 132 ILE CA . 30285 1 1602 . 1 1 132 132 ILE CB C 13 38.434 0.051 . 1 . . . . . 132 ILE CB . 30285 1 1603 . 1 1 132 132 ILE CG1 C 13 30.525 0.051 . 1 . . . . . 132 ILE CG1 . 30285 1 1604 . 1 1 132 132 ILE CG2 C 13 17.588 0.051 . 1 . . . . . 132 ILE CG2 . 30285 1 1605 . 1 1 132 132 ILE CD1 C 13 14.532 0.051 . 1 . . . . . 132 ILE CD1 . 30285 1 1606 . 1 1 132 132 ILE N N 15 118.082 0.054 . 1 . . . . . 132 ILE N . 30285 1 1607 . 1 1 133 133 VAL H H 1 7.334 0.011 . 1 . . . . . 133 VAL H . 30285 1 1608 . 1 1 133 133 VAL HA H 1 3.669 0.011 . 1 . . . . . 133 VAL HA . 30285 1 1609 . 1 1 133 133 VAL HB H 1 2.177 0.011 . 1 . . . . . 133 VAL HB . 30285 1 1610 . 1 1 133 133 VAL HG11 H 1 0.912 0.011 . 1 . . . . . 133 VAL HG11 . 30285 1 1611 . 1 1 133 133 VAL HG12 H 1 0.912 0.011 . 1 . . . . . 133 VAL HG12 . 30285 1 1612 . 1 1 133 133 VAL HG13 H 1 0.912 0.011 . 1 . . . . . 133 VAL HG13 . 30285 1 1613 . 1 1 133 133 VAL HG21 H 1 1.057 0.011 . 1 . . . . . 133 VAL HG21 . 30285 1 1614 . 1 1 133 133 VAL HG22 H 1 1.057 0.011 . 1 . . . . . 133 VAL HG22 . 30285 1 1615 . 1 1 133 133 VAL HG23 H 1 1.057 0.011 . 1 . . . . . 133 VAL HG23 . 30285 1 1616 . 1 1 133 133 VAL CA C 13 66.537 0.051 . 1 . . . . . 133 VAL CA . 30285 1 1617 . 1 1 133 133 VAL CB C 13 31.909 0.051 . 1 . . . . . 133 VAL CB . 30285 1 1618 . 1 1 133 133 VAL CG1 C 13 21.062 0.051 . 1 . . . . . 133 VAL CG1 . 30285 1 1619 . 1 1 133 133 VAL CG2 C 13 22.579 0.051 . 1 . . . . . 133 VAL CG2 . 30285 1 1620 . 1 1 133 133 VAL N N 15 120.302 0.054 . 1 . . . . . 133 VAL N . 30285 1 1621 . 1 1 134 134 VAL H H 1 8.535 0.011 . 1 . . . . . 134 VAL H . 30285 1 1622 . 1 1 134 134 VAL HA H 1 3.760 0.011 . 1 . . . . . 134 VAL HA . 30285 1 1623 . 1 1 134 134 VAL HB H 1 1.614 0.011 . 1 . . . . . 134 VAL HB . 30285 1 1624 . 1 1 134 134 VAL HG11 H 1 0.549 0.011 . 1 . . . . . 134 VAL HG11 . 30285 1 1625 . 1 1 134 134 VAL HG12 H 1 0.549 0.011 . 1 . . . . . 134 VAL HG12 . 30285 1 1626 . 1 1 134 134 VAL HG13 H 1 0.549 0.011 . 1 . . . . . 134 VAL HG13 . 30285 1 1627 . 1 1 134 134 VAL HG21 H 1 0.711 0.011 . 1 . . . . . 134 VAL HG21 . 30285 1 1628 . 1 1 134 134 VAL HG22 H 1 0.711 0.011 . 1 . . . . . 134 VAL HG22 . 30285 1 1629 . 1 1 134 134 VAL HG23 H 1 0.711 0.011 . 1 . . . . . 134 VAL HG23 . 30285 1 1630 . 1 1 134 134 VAL CA C 13 66.174 0.051 . 1 . . . . . 134 VAL CA . 30285 1 1631 . 1 1 134 134 VAL CB C 13 31.408 0.051 . 1 . . . . . 134 VAL CB . 30285 1 1632 . 1 1 134 134 VAL CG1 C 13 20.603 0.051 . 1 . . . . . 134 VAL CG1 . 30285 1 1633 . 1 1 134 134 VAL CG2 C 13 22.304 0.051 . 1 . . . . . 134 VAL CG2 . 30285 1 1634 . 1 1 134 134 VAL N N 15 120.210 0.054 . 1 . . . . . 134 VAL N . 30285 1 1635 . 1 1 135 135 PHE H H 1 8.884 0.011 . 1 . . . . . 135 PHE H . 30285 1 1636 . 1 1 135 135 PHE HA H 1 4.903 0.011 . 1 . . . . . 135 PHE HA . 30285 1 1637 . 1 1 135 135 PHE HB2 H 1 2.995 0.011 . 1 . . . . . 135 PHE HB2 . 30285 1 1638 . 1 1 135 135 PHE HB3 H 1 3.297 0.011 . 1 . . . . . 135 PHE HB3 . 30285 1 1639 . 1 1 135 135 PHE HD1 H 1 7.030 0.011 . 1 . . . . . 135 PHE HD1 . 30285 1 1640 . 1 1 135 135 PHE HD2 H 1 7.030 0.011 . 1 . . . . . 135 PHE HD2 . 30285 1 1641 . 1 1 135 135 PHE CA C 13 55.273 0.051 . 1 . . . . . 135 PHE CA . 30285 1 1642 . 1 1 135 135 PHE CB C 13 37.072 0.051 . 1 . . . . . 135 PHE CB . 30285 1 1643 . 1 1 135 135 PHE N N 15 119.360 0.054 . 1 . . . . . 135 PHE N . 30285 1 1644 . 1 1 136 136 GLY H H 1 7.740 0.011 . 1 . . . . . 136 GLY H . 30285 1 1645 . 1 1 136 136 GLY HA2 H 1 4.118 0.011 . 1 . . . . . 136 GLY HA2 . 30285 1 1646 . 1 1 136 136 GLY HA3 H 1 3.930 0.011 . 1 . . . . . 136 GLY HA3 . 30285 1 1647 . 1 1 136 136 GLY CA C 13 46.227 0.051 . 1 . . . . . 136 GLY CA . 30285 1 1648 . 1 1 136 136 GLY N N 15 106.522 0.054 . 1 . . . . . 136 GLY N . 30285 1 1649 . 1 1 137 137 ASP H H 1 7.346 0.011 . 1 . . . . . 137 ASP H . 30285 1 1650 . 1 1 137 137 ASP HA H 1 4.874 0.011 . 1 . . . . . 137 ASP HA . 30285 1 1651 . 1 1 137 137 ASP HB2 H 1 2.833 0.011 . 1 . . . . . 137 ASP HB2 . 30285 1 1652 . 1 1 137 137 ASP HB3 H 1 2.833 0.011 . 1 . . . . . 137 ASP HB3 . 30285 1 1653 . 1 1 137 137 ASP CA C 13 55.619 0.051 . 1 . . . . . 137 ASP CA . 30285 1 1654 . 1 1 137 137 ASP CB C 13 42.140 0.051 . 1 . . . . . 137 ASP CB . 30285 1 1655 . 1 1 137 137 ASP N N 15 119.068 0.054 . 1 . . . . . 137 ASP N . 30285 1 1656 . 1 1 138 138 GLU H H 1 7.780 0.011 . 1 . . . . . 138 GLU H . 30285 1 1657 . 1 1 138 138 GLU HA H 1 4.549 0.011 . 1 . . . . . 138 GLU HA . 30285 1 1658 . 1 1 138 138 GLU HB2 H 1 2.010 0.011 . 1 . . . . . 138 GLU HB2 . 30285 1 1659 . 1 1 138 138 GLU HG2 H 1 2.116 0.011 . 1 . . . . . 138 GLU HG2 . 30285 1 1660 . 1 1 138 138 GLU HG3 H 1 2.136 0.011 . 1 . . . . . 138 GLU HG3 . 30285 1 1661 . 1 1 138 138 GLU CA C 13 53.475 0.051 . 1 . . . . . 138 GLU CA . 30285 1 1662 . 1 1 138 138 GLU CB C 13 31.143 0.051 . 1 . . . . . 138 GLU CB . 30285 1 1663 . 1 1 138 138 GLU CG C 13 36.494 0.051 . 1 . . . . . 138 GLU CG . 30285 1 1664 . 1 1 138 138 GLU N N 15 118.450 0.054 . 1 . . . . . 138 GLU N . 30285 1 1665 . 1 1 139 139 PRO HA H 1 4.667 0.011 . 1 . . . . . 139 PRO HA . 30285 1 1666 . 1 1 139 139 PRO HB2 H 1 1.577 0.011 . 1 . . . . . 139 PRO HB2 . 30285 1 1667 . 1 1 139 139 PRO HB3 H 1 1.799 0.011 . 1 . . . . . 139 PRO HB3 . 30285 1 1668 . 1 1 139 139 PRO HG2 H 1 1.211 0.011 . 1 . . . . . 139 PRO HG2 . 30285 1 1669 . 1 1 139 139 PRO HG3 H 1 1.357 0.011 . 1 . . . . . 139 PRO HG3 . 30285 1 1670 . 1 1 139 139 PRO HD2 H 1 3.140 0.011 . 1 . . . . . 139 PRO HD2 . 30285 1 1671 . 1 1 139 139 PRO HD3 H 1 3.297 0.011 . 1 . . . . . 139 PRO HD3 . 30285 1 1672 . 1 1 139 139 PRO CA C 13 61.275 0.051 . 1 . . . . . 139 PRO CA . 30285 1 1673 . 1 1 139 139 PRO CB C 13 31.052 0.051 . 1 . . . . . 139 PRO CB . 30285 1 1674 . 1 1 139 139 PRO CD C 13 49.980 0.051 . 1 . . . . . 139 PRO CD . 30285 1 1675 . 1 1 140 140 PRO HA H 1 4.359 0.011 . 1 . . . . . 140 PRO HA . 30285 1 1676 . 1 1 140 140 PRO HB2 H 1 2.095 0.011 . 1 . . . . . 140 PRO HB2 . 30285 1 1677 . 1 1 140 140 PRO HB3 H 1 2.279 0.011 . 1 . . . . . 140 PRO HB3 . 30285 1 1678 . 1 1 140 140 PRO HG2 H 1 1.890 0.011 . 1 . . . . . 140 PRO HG2 . 30285 1 1679 . 1 1 140 140 PRO HG3 H 1 1.852 0.011 . 1 . . . . . 140 PRO HG3 . 30285 1 1680 . 1 1 140 140 PRO HD2 H 1 3.585 0.011 . 1 . . . . . 140 PRO HD2 . 30285 1 1681 . 1 1 140 140 PRO HD3 H 1 3.434 0.011 . 1 . . . . . 140 PRO HD3 . 30285 1 1682 . 1 1 140 140 PRO CA C 13 64.893 0.051 . 1 . . . . . 140 PRO CA . 30285 1 1683 . 1 1 140 140 PRO CB C 13 34.191 0.051 . 1 . . . . . 140 PRO CB . 30285 1 1684 . 1 1 140 140 PRO CG C 13 24.921 0.051 . 1 . . . . . 140 PRO CG . 30285 1 1685 . 1 1 140 140 PRO CD C 13 49.905 0.051 . 1 . . . . . 140 PRO CD . 30285 1 1686 . 1 1 141 141 VAL H H 1 6.674 0.011 . 1 . . . . . 141 VAL H . 30285 1 1687 . 1 1 141 141 VAL HA H 1 5.142 0.011 . 1 . . . . . 141 VAL HA . 30285 1 1688 . 1 1 141 141 VAL HB H 1 1.884 0.011 . 1 . . . . . 141 VAL HB . 30285 1 1689 . 1 1 141 141 VAL HG11 H 1 0.644 0.011 . 1 . . . . . 141 VAL HG11 . 30285 1 1690 . 1 1 141 141 VAL HG12 H 1 0.644 0.011 . 1 . . . . . 141 VAL HG12 . 30285 1 1691 . 1 1 141 141 VAL HG13 H 1 0.644 0.011 . 1 . . . . . 141 VAL HG13 . 30285 1 1692 . 1 1 141 141 VAL HG21 H 1 0.572 0.011 . 1 . . . . . 141 VAL HG21 . 30285 1 1693 . 1 1 141 141 VAL HG22 H 1 0.572 0.011 . 1 . . . . . 141 VAL HG22 . 30285 1 1694 . 1 1 141 141 VAL HG23 H 1 0.572 0.011 . 1 . . . . . 141 VAL HG23 . 30285 1 1695 . 1 1 141 141 VAL CA C 13 57.736 0.051 . 1 . . . . . 141 VAL CA . 30285 1 1696 . 1 1 141 141 VAL CB C 13 36.349 0.051 . 1 . . . . . 141 VAL CB . 30285 1 1697 . 1 1 141 141 VAL CG1 C 13 22.682 0.051 . 1 . . . . . 141 VAL CG1 . 30285 1 1698 . 1 1 141 141 VAL CG2 C 13 18.106 0.051 . 1 . . . . . 141 VAL CG2 . 30285 1 1699 . 1 1 141 141 VAL N N 15 109.486 0.054 . 1 . . . . . 141 VAL N . 30285 1 1700 . 1 1 142 142 PHE H H 1 8.537 0.011 . 1 . . . . . 142 PHE H . 30285 1 1701 . 1 1 142 142 PHE HA H 1 4.697 0.011 . 1 . . . . . 142 PHE HA . 30285 1 1702 . 1 1 142 142 PHE HB2 H 1 2.925 0.011 . 1 . . . . . 142 PHE HB2 . 30285 1 1703 . 1 1 142 142 PHE HB3 H 1 2.992 0.011 . 1 . . . . . 142 PHE HB3 . 30285 1 1704 . 1 1 142 142 PHE HD1 H 1 7.100 0.011 . 1 . . . . . 142 PHE HD1 . 30285 1 1705 . 1 1 142 142 PHE HD2 H 1 7.100 0.011 . 1 . . . . . 142 PHE HD2 . 30285 1 1706 . 1 1 142 142 PHE HE1 H 1 7.243 0.011 . 1 . . . . . 142 PHE HE1 . 30285 1 1707 . 1 1 142 142 PHE HE2 H 1 7.243 0.011 . 1 . . . . . 142 PHE HE2 . 30285 1 1708 . 1 1 142 142 PHE HZ H 1 7.260 0.011 . 1 . . . . . 142 PHE HZ . 30285 1 1709 . 1 1 142 142 PHE CA C 13 56.574 0.051 . 1 . . . . . 142 PHE CA . 30285 1 1710 . 1 1 142 142 PHE CB C 13 41.037 0.051 . 1 . . . . . 142 PHE CB . 30285 1 1711 . 1 1 142 142 PHE CD1 C 13 132.232 0.051 . 1 . . . . . 142 PHE CD1 . 30285 1 1712 . 1 1 142 142 PHE CD2 C 13 132.232 0.051 . 1 . . . . . 142 PHE CD2 . 30285 1 1713 . 1 1 142 142 PHE CE1 C 13 131.202 0.051 . 1 . . . . . 142 PHE CE1 . 30285 1 1714 . 1 1 142 142 PHE CE2 C 13 131.202 0.051 . 1 . . . . . 142 PHE CE2 . 30285 1 1715 . 1 1 142 142 PHE CZ C 13 129.802 0.051 . 1 . . . . . 142 PHE CZ . 30285 1 1716 . 1 1 142 142 PHE N N 15 119.008 0.054 . 1 . . . . . 142 PHE N . 30285 1 1717 . 1 1 143 143 SER H H 1 8.387 0.011 . 1 . . . . . 143 SER H . 30285 1 1718 . 1 1 143 143 SER HA H 1 4.653 0.011 . 1 . . . . . 143 SER HA . 30285 1 1719 . 1 1 143 143 SER HB2 H 1 3.684 0.011 . 1 . . . . . 143 SER HB2 . 30285 1 1720 . 1 1 143 143 SER HB3 H 1 3.755 0.011 . 1 . . . . . 143 SER HB3 . 30285 1 1721 . 1 1 143 143 SER CA C 13 57.921 0.051 . 1 . . . . . 143 SER CA . 30285 1 1722 . 1 1 143 143 SER CB C 13 64.011 0.051 . 1 . . . . . 143 SER CB . 30285 1 1723 . 1 1 143 143 SER N N 15 117.841 0.054 . 1 . . . . . 143 SER N . 30285 1 1724 . 1 1 144 144 ARG H H 1 8.306 0.011 . 1 . . . . . 144 ARG H . 30285 1 1725 . 1 1 144 144 ARG HA H 1 4.495 0.011 . 1 . . . . . 144 ARG HA . 30285 1 1726 . 1 1 144 144 ARG HB2 H 1 1.833 0.011 . 1 . . . . . 144 ARG HB2 . 30285 1 1727 . 1 1 144 144 ARG HB3 H 1 1.653 0.011 . 1 . . . . . 144 ARG HB3 . 30285 1 1728 . 1 1 144 144 ARG HG2 H 1 1.623 0.011 . 1 . . . . . 144 ARG HG2 . 30285 1 1729 . 1 1 144 144 ARG HG3 H 1 1.643 0.011 . 1 . . . . . 144 ARG HG3 . 30285 1 1730 . 1 1 144 144 ARG HD2 H 1 3.162 0.011 . 1 . . . . . 144 ARG HD2 . 30285 1 1731 . 1 1 144 144 ARG HD3 H 1 3.162 0.011 . 1 . . . . . 144 ARG HD3 . 30285 1 1732 . 1 1 144 144 ARG CA C 13 54.131 0.051 . 1 . . . . . 144 ARG CA . 30285 1 1733 . 1 1 144 144 ARG CB C 13 30.150 0.051 . 1 . . . . . 144 ARG CB . 30285 1 1734 . 1 1 144 144 ARG CG C 13 26.927 0.051 . 1 . . . . . 144 ARG CG . 30285 1 1735 . 1 1 144 144 ARG CD C 13 43.408 0.051 . 1 . . . . . 144 ARG CD . 30285 1 1736 . 1 1 144 144 ARG N N 15 125.657 0.054 . 1 . . . . . 144 ARG N . 30285 1 1737 . 1 1 145 145 PRO HG2 H 1 1.983 0.011 . 1 . . . . . 145 PRO HG2 . 30285 1 1738 . 1 1 145 145 PRO HG3 H 1 1.969 0.011 . 1 . . . . . 145 PRO HG3 . 30285 1 1739 . 1 1 145 145 PRO HD2 H 1 3.631 0.011 . 1 . . . . . 145 PRO HD2 . 30285 1 1740 . 1 1 145 145 PRO HD3 H 1 3.798 0.011 . 1 . . . . . 145 PRO HD3 . 30285 1 1741 . 1 1 145 145 PRO CG C 13 27.281 0.051 . 1 . . . . . 145 PRO CG . 30285 1 1742 . 1 1 145 145 PRO CD C 13 50.398 0.051 . 1 . . . . . 145 PRO CD . 30285 1 stop_ save_