data_16341 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16341 _Entry.Title ; The inactive form of the retroviral protease of the murine intracisternal particle, inMIA-14 PR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-09 _Entry.Accession_date 2009-06-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Veronika Motackova . . . 16341 2 Monika Kubickova . . . 16341 3 Milan Kozisek . . . 16341 4 Klara Grantz-Saskova . . . 16341 5 Martin Svec . . . 16341 6 Lukas Zidek . . . 16341 7 Vladimir Sklenar . . . 16341 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16341 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 16341 '15N chemical shifts' 135 16341 '1H chemical shifts' 135 16341 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 . . 2009-11-25 2009-06-09 update BMRB 'complete entry citation' 16341 1 . . 2009-11-16 2009-06-09 original author 'original release' 16341 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16341 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19856131 _Citation.Full_citation . _Citation.Title 'Backbone (1)H, (13)C, and (15)N NMR assignment for the inactive form of the retroviral protease of the murine intracisternal A-type particle, inMIA-14 PR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 261 _Citation.Page_last 264 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Veronika Motakova . . . 16341 1 2 Monika Kubikova . . . 16341 1 3 Milan Kozisek . . . 16341 1 4 Klara Sakova . . . 16341 1 5 Martin Svec . . . 16341 1 6 Luka Zidek . . . 16341 1 7 Vladimir Sklena . . . 16341 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignment 16341 1 'C-terminal domain' 16341 1 Homodimer 16341 1 'inMIA-14 PR' 16341 1 'Murine intracisternal A-type particles' 16341 1 'Retroviral protease' 16341 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16341 _Assembly.ID 1 _Assembly.Name inMIA14-PR _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34 _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 inMIA14-PR 1 $inMIA14-PR A . yes native no no . . . 16341 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_inMIA14-PR _Entity.Sf_category entity _Entity.Sf_framecode inMIA14-PR _Entity.Entry_ID 16341 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name inMIA14-PR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LVVSLNDRPKLRLKINGKEF EGILDTGADKSIISTHWWPK AWPTTESSHSLQGLGYQSCP TISSVALTWESSEGQQGKFI PYVLPLPVNLWGRDIMQHLG LILSNENAPSGGYSTKAKNI MAKMGYKEGKGLGHQEQGRI EPISPNGNQDRQGLGF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAC79171 . "gag [Mus musculus]" . . . . . 100.00 259 99.36 99.36 2.32e-107 . . . . 16341 1 2 no EMBL CRH48730 . "G-patch domain [Chlamydia trachomatis]" . . . . . 57.69 91 98.89 100.00 1.52e-56 . . . . 16341 1 3 no EMBL CRH55731 . "Retroviral aspartyl protease [Chlamydia trachomatis]" . . . . . 100.00 258 99.36 99.36 1.89e-107 . . . . 16341 1 4 no EMBL CRH56783 . "dUTP diphosphatase [Chlamydia trachomatis]" . . . . . 100.00 269 99.36 99.36 1.74e-107 . . . . 16341 1 5 no EMBL CRH57961 . "Retroviral aspartyl protease [Chlamydia trachomatis]" . . . . . 100.00 167 98.72 99.36 5.74e-108 . . . . 16341 1 6 no GB AAC12789 . "gag protein [Mus musculus domesticus]" . . . . . 100.00 827 99.36 99.36 2.15e-102 . . . . 16341 1 7 no GB AAC52922 . "Gag [Mus musculus]" . . . . . 100.00 827 99.36 99.36 1.17e-102 . . . . 16341 1 8 no REF WP_057247684 . "hypothetical protein [Chlamydia trachomatis]" . . . . . 100.00 258 99.36 99.36 1.89e-107 . . . . 16341 1 9 no REF WP_057256782 . "hypothetical protein [Chlamydia trachomatis]" . . . . . 100.00 269 99.36 99.36 1.74e-107 . . . . 16341 1 10 no SP P11365 . "RecName: Full=Retrovirus-related Gag polyprotein; Contains: RecName: Full=Protease; Flags: Precursor [Mouse intracisternal A-pa" . . . . . 100.00 827 99.36 99.36 2.15e-102 . . . . 16341 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 . LEU . 16341 1 2 . VAL . 16341 1 3 . VAL . 16341 1 4 . SER . 16341 1 5 . LEU . 16341 1 6 . ASN . 16341 1 7 . ASP . 16341 1 8 . ARG . 16341 1 9 . PRO . 16341 1 10 . LYS . 16341 1 11 . LEU . 16341 1 12 . ARG . 16341 1 13 . LEU . 16341 1 14 . LYS . 16341 1 15 . ILE . 16341 1 16 . ASN . 16341 1 17 . GLY . 16341 1 18 . LYS . 16341 1 19 . GLU . 16341 1 20 . PHE . 16341 1 21 . GLU . 16341 1 22 . GLY . 16341 1 23 . ILE . 16341 1 24 . LEU . 16341 1 25 . ASP . 16341 1 26 . THR . 16341 1 27 . GLY . 16341 1 28 . ALA . 16341 1 29 . ASP . 16341 1 30 . LYS . 16341 1 31 . SER . 16341 1 32 . ILE . 16341 1 33 . ILE . 16341 1 34 . SER . 16341 1 35 . THR . 16341 1 36 . HIS . 16341 1 37 . TRP . 16341 1 38 . TRP . 16341 1 39 . PRO . 16341 1 40 . LYS . 16341 1 41 . ALA . 16341 1 42 . TRP . 16341 1 43 . PRO . 16341 1 44 . THR . 16341 1 45 . THR . 16341 1 46 . GLU . 16341 1 47 . SER . 16341 1 48 . SER . 16341 1 49 . HIS . 16341 1 50 . SER . 16341 1 51 . LEU . 16341 1 52 . GLN . 16341 1 53 . GLY . 16341 1 54 . LEU . 16341 1 55 . GLY . 16341 1 56 . TYR . 16341 1 57 . GLN . 16341 1 58 . SER . 16341 1 59 . CYS . 16341 1 60 . PRO . 16341 1 61 . THR . 16341 1 62 . ILE . 16341 1 63 . SER . 16341 1 64 . SER . 16341 1 65 . VAL . 16341 1 66 . ALA . 16341 1 67 . LEU . 16341 1 68 . THR . 16341 1 69 . TRP . 16341 1 70 . GLU . 16341 1 71 . SER . 16341 1 72 . SER . 16341 1 73 . GLU . 16341 1 74 . GLY . 16341 1 75 . GLN . 16341 1 76 . GLN . 16341 1 77 . GLY . 16341 1 78 . LYS . 16341 1 79 . PHE . 16341 1 80 . ILE . 16341 1 81 . PRO . 16341 1 82 . TYR . 16341 1 83 . VAL . 16341 1 84 . LEU . 16341 1 85 . PRO . 16341 1 86 . LEU . 16341 1 87 . PRO . 16341 1 88 . VAL . 16341 1 89 . ASN . 16341 1 90 . LEU . 16341 1 91 . TRP . 16341 1 92 . GLY . 16341 1 93 . ARG . 16341 1 94 . ASP . 16341 1 95 . ILE . 16341 1 96 . MET . 16341 1 97 . GLN . 16341 1 98 . HIS . 16341 1 99 . LEU . 16341 1 100 . GLY . 16341 1 101 . LEU . 16341 1 102 . ILE . 16341 1 103 . LEU . 16341 1 104 . SER . 16341 1 105 . ASN . 16341 1 106 . GLU . 16341 1 107 . ASN . 16341 1 108 . ALA . 16341 1 109 . PRO . 16341 1 110 . SER . 16341 1 111 . GLY . 16341 1 112 . GLY . 16341 1 113 . TYR . 16341 1 114 . SER . 16341 1 115 . THR . 16341 1 116 . LYS . 16341 1 117 . ALA . 16341 1 118 . LYS . 16341 1 119 . ASN . 16341 1 120 . ILE . 16341 1 121 . MET . 16341 1 122 . ALA . 16341 1 123 . LYS . 16341 1 124 . MET . 16341 1 125 . GLY . 16341 1 126 . TYR . 16341 1 127 . LYS . 16341 1 128 . GLU . 16341 1 129 . GLY . 16341 1 130 . LYS . 16341 1 131 . GLY . 16341 1 132 . LEU . 16341 1 133 . GLY . 16341 1 134 . HIS . 16341 1 135 . GLN . 16341 1 136 . GLU . 16341 1 137 . GLN . 16341 1 138 . GLY . 16341 1 139 . ARG . 16341 1 140 . ILE . 16341 1 141 . GLU . 16341 1 142 . PRO . 16341 1 143 . ILE . 16341 1 144 . SER . 16341 1 145 . PRO . 16341 1 146 . ASN . 16341 1 147 . GLY . 16341 1 148 . ASN . 16341 1 149 . GLN . 16341 1 150 . ASP . 16341 1 151 . ARG . 16341 1 152 . GLN . 16341 1 153 . GLY . 16341 1 154 . LEU . 16341 1 155 . GLY . 16341 1 156 . PHE . 16341 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 . LEU 1 1 16341 1 . VAL 2 2 16341 1 . VAL 3 3 16341 1 . SER 4 4 16341 1 . LEU 5 5 16341 1 . ASN 6 6 16341 1 . ASP 7 7 16341 1 . ARG 8 8 16341 1 . PRO 9 9 16341 1 . LYS 10 10 16341 1 . LEU 11 11 16341 1 . ARG 12 12 16341 1 . LEU 13 13 16341 1 . LYS 14 14 16341 1 . ILE 15 15 16341 1 . ASN 16 16 16341 1 . GLY 17 17 16341 1 . LYS 18 18 16341 1 . GLU 19 19 16341 1 . PHE 20 20 16341 1 . GLU 21 21 16341 1 . GLY 22 22 16341 1 . ILE 23 23 16341 1 . LEU 24 24 16341 1 . ASP 25 25 16341 1 . THR 26 26 16341 1 . GLY 27 27 16341 1 . ALA 28 28 16341 1 . ASP 29 29 16341 1 . LYS 30 30 16341 1 . SER 31 31 16341 1 . ILE 32 32 16341 1 . ILE 33 33 16341 1 . SER 34 34 16341 1 . THR 35 35 16341 1 . HIS 36 36 16341 1 . TRP 37 37 16341 1 . TRP 38 38 16341 1 . PRO 39 39 16341 1 . LYS 40 40 16341 1 . ALA 41 41 16341 1 . TRP 42 42 16341 1 . PRO 43 43 16341 1 . THR 44 44 16341 1 . THR 45 45 16341 1 . GLU 46 46 16341 1 . SER 47 47 16341 1 . SER 48 48 16341 1 . HIS 49 49 16341 1 . SER 50 50 16341 1 . LEU 51 51 16341 1 . GLN 52 52 16341 1 . GLY 53 53 16341 1 . LEU 54 54 16341 1 . GLY 55 55 16341 1 . TYR 56 56 16341 1 . GLN 57 57 16341 1 . SER 58 58 16341 1 . CYS 59 59 16341 1 . PRO 60 60 16341 1 . THR 61 61 16341 1 . ILE 62 62 16341 1 . SER 63 63 16341 1 . SER 64 64 16341 1 . VAL 65 65 16341 1 . ALA 66 66 16341 1 . LEU 67 67 16341 1 . THR 68 68 16341 1 . TRP 69 69 16341 1 . GLU 70 70 16341 1 . SER 71 71 16341 1 . SER 72 72 16341 1 . GLU 73 73 16341 1 . GLY 74 74 16341 1 . GLN 75 75 16341 1 . GLN 76 76 16341 1 . GLY 77 77 16341 1 . LYS 78 78 16341 1 . PHE 79 79 16341 1 . ILE 80 80 16341 1 . PRO 81 81 16341 1 . TYR 82 82 16341 1 . VAL 83 83 16341 1 . LEU 84 84 16341 1 . PRO 85 85 16341 1 . LEU 86 86 16341 1 . PRO 87 87 16341 1 . VAL 88 88 16341 1 . ASN 89 89 16341 1 . LEU 90 90 16341 1 . TRP 91 91 16341 1 . GLY 92 92 16341 1 . ARG 93 93 16341 1 . ASP 94 94 16341 1 . ILE 95 95 16341 1 . MET 96 96 16341 1 . GLN 97 97 16341 1 . HIS 98 98 16341 1 . LEU 99 99 16341 1 . GLY 100 100 16341 1 . LEU 101 101 16341 1 . ILE 102 102 16341 1 . LEU 103 103 16341 1 . SER 104 104 16341 1 . ASN 105 105 16341 1 . GLU 106 106 16341 1 . ASN 107 107 16341 1 . ALA 108 108 16341 1 . PRO 109 109 16341 1 . SER 110 110 16341 1 . GLY 111 111 16341 1 . GLY 112 112 16341 1 . TYR 113 113 16341 1 . SER 114 114 16341 1 . THR 115 115 16341 1 . LYS 116 116 16341 1 . ALA 117 117 16341 1 . LYS 118 118 16341 1 . ASN 119 119 16341 1 . ILE 120 120 16341 1 . MET 121 121 16341 1 . ALA 122 122 16341 1 . LYS 123 123 16341 1 . MET 124 124 16341 1 . GLY 125 125 16341 1 . TYR 126 126 16341 1 . LYS 127 127 16341 1 . GLU 128 128 16341 1 . GLY 129 129 16341 1 . LYS 130 130 16341 1 . GLY 131 131 16341 1 . LEU 132 132 16341 1 . GLY 133 133 16341 1 . HIS 134 134 16341 1 . GLN 135 135 16341 1 . GLU 136 136 16341 1 . GLN 137 137 16341 1 . GLY 138 138 16341 1 . ARG 139 139 16341 1 . ILE 140 140 16341 1 . GLU 141 141 16341 1 . PRO 142 142 16341 1 . ILE 143 143 16341 1 . SER 144 144 16341 1 . PRO 145 145 16341 1 . ASN 146 146 16341 1 . GLY 147 147 16341 1 . ASN 148 148 16341 1 . GLN 149 149 16341 1 . ASP 150 150 16341 1 . ARG 151 151 16341 1 . GLN 152 152 16341 1 . GLY 153 153 16341 1 . LEU 154 154 16341 1 . GLY 155 155 16341 1 . PHE 156 156 16341 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16341 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $inMIA14-PR . 35275 virus . 'Murine intracisternal A-type particles endogenous betaretrovirus' 'Murine endogenous retrovirus' . . Viruses . Betaretrovirus 'Murine endogenous retrovirus' . . . . . . . . . . . . . . . . NcoI . . . . 16341 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 16341 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $inMIA14-PR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22 . . . . . . 16341 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16341 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 inMIA14-PR '[U-100% 13C; U-100% 15N; U-75% 2H]' . . 1 $inMIA14-PR . . 0.3 . . mM . . . . 16341 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16341 1 3 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 16341 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16341 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 16341 _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' 20 . mM 16341 1 pH 7.4 . pH 16341 1 pressure 1 . atm 16341 1 temperature 296 . K 16341 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16341 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16341 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16341 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16341 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16341 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16341 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16341 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16341 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16341 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16341 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16341 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16341 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 16341 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 16341 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16341 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16341 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16341 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16341 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16341 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16341 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 16341 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1.0 . . . . . . . . . 16341 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na direct 1.0 . . . . . . . . . 16341 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16341 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16341 1 2 '3D HNCACB' . . . 16341 1 3 '3D HNCA' . . . 16341 1 4 '3D HN(CO)CA' . . . 16341 1 5 '3D HNCO' . . . 16341 1 6 '3D HN(CO)CACB' . . . 16341 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16341 1 2 $NMRDraw . . 16341 1 3 $SPARKY . . 16341 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL CA C 13 62.212 0.024 . 1 . . . . 3 V CA . 16341 1 2 . 1 1 3 3 VAL CB C 13 32.632 0.024 . 1 . . . . 3 V CB . 16341 1 3 . 1 1 4 4 SER H H 1 8.390 0.004 . 1 . . . . 4 S H . 16341 1 4 . 1 1 4 4 SER C C 13 174.928 0.024 . 1 . . . . 4 S C . 16341 1 5 . 1 1 4 4 SER CA C 13 58.097 0.024 . 1 . . . . 4 S CA . 16341 1 6 . 1 1 4 4 SER CB C 13 63.708 0.024 . 1 . . . . 4 S CB . 16341 1 7 . 1 1 4 4 SER N N 15 119.083 0.038 . 1 . . . . 4 S N . 16341 1 8 . 1 1 5 5 LEU H H 1 8.378 0.004 . 1 . . . . 5 L H . 16341 1 9 . 1 1 5 5 LEU C C 13 177.584 0.024 . 1 . . . . 5 L C . 16341 1 10 . 1 1 5 5 LEU CA C 13 55.773 0.024 . 1 . . . . 5 L CA . 16341 1 11 . 1 1 5 5 LEU CB C 13 41.786 0.024 . 1 . . . . 5 L CB . 16341 1 12 . 1 1 5 5 LEU N N 15 123.746 0.038 . 1 . . . . 5 L N . 16341 1 13 . 1 1 6 6 ASN H H 1 8.197 0.004 . 1 . . . . 6 N H . 16341 1 14 . 1 1 6 6 ASN C C 13 175.003 0.024 . 1 . . . . 6 N C . 16341 1 15 . 1 1 6 6 ASN CA C 13 54.234 0.024 . 1 . . . . 6 N CA . 16341 1 16 . 1 1 6 6 ASN CB C 13 38.685 0.024 . 1 . . . . 6 N CB . 16341 1 17 . 1 1 6 6 ASN N N 15 116.383 0.038 . 1 . . . . 6 N N . 16341 1 18 . 1 1 7 7 ASP H H 1 8.146 0.004 . 1 . . . . 7 D H . 16341 1 19 . 1 1 7 7 ASP C C 13 175.744 0.024 . 1 . . . . 7 D C . 16341 1 20 . 1 1 7 7 ASP CA C 13 54.272 0.024 . 1 . . . . 7 D CA . 16341 1 21 . 1 1 7 7 ASP CB C 13 40.793 0.024 . 1 . . . . 7 D CB . 16341 1 22 . 1 1 7 7 ASP N N 15 118.587 0.038 . 1 . . . . 7 D N . 16341 1 23 . 1 1 8 8 ARG H H 1 7.691 0.004 . 1 . . . . 8 R H . 16341 1 24 . 1 1 8 8 ARG CA C 13 53.811 0.024 . 1 . . . . 8 R CA . 16341 1 25 . 1 1 8 8 ARG CB C 13 29.883 0.024 . 1 . . . . 8 R CB . 16341 1 26 . 1 1 8 8 ARG N N 15 120.195 0.038 . 1 . . . . 8 R N . 16341 1 27 . 1 1 9 9 PRO C C 13 175.728 0.024 . 1 . . . . 9 P C . 16341 1 28 . 1 1 9 9 PRO CA C 13 63.261 0.024 . 1 . . . . 9 P CA . 16341 1 29 . 1 1 9 9 PRO CB C 13 31.969 0.024 . 1 . . . . 9 P CB . 16341 1 30 . 1 1 10 10 LYS H H 1 8.270 0.004 . 1 . . . . 10 K H . 16341 1 31 . 1 1 10 10 LYS C C 13 176.155 0.024 . 1 . . . . 10 K C . 16341 1 32 . 1 1 10 10 LYS CA C 13 55.149 0.024 . 1 . . . . 10 K CA . 16341 1 33 . 1 1 10 10 LYS CB C 13 35.357 0.024 . 1 . . . . 10 K CB . 16341 1 34 . 1 1 10 10 LYS N N 15 119.569 0.038 . 1 . . . . 10 K N . 16341 1 35 . 1 1 11 11 LEU H H 1 9.015 0.004 . 1 . . . . 11 L H . 16341 1 36 . 1 1 11 11 LEU C C 13 176.382 0.024 . 1 . . . . 11 L C . 16341 1 37 . 1 1 11 11 LEU CA C 13 54.575 0.024 . 1 . . . . 11 L CA . 16341 1 38 . 1 1 11 11 LEU CB C 13 46.272 0.024 . 1 . . . . 11 L CB . 16341 1 39 . 1 1 11 11 LEU N N 15 121.699 0.038 . 1 . . . . 11 L N . 16341 1 40 . 1 1 12 12 ARG H H 1 9.136 0.004 . 1 . . . . 12 R H . 16341 1 41 . 1 1 12 12 ARG C C 13 174.825 0.024 . 1 . . . . 12 R C . 16341 1 42 . 1 1 12 12 ARG CA C 13 55.511 0.024 . 1 . . . . 12 R CA . 16341 1 43 . 1 1 12 12 ARG CB C 13 30.908 0.024 . 1 . . . . 12 R CB . 16341 1 44 . 1 1 12 12 ARG N N 15 130.459 0.038 . 1 . . . . 12 R N . 16341 1 45 . 1 1 13 13 LEU H H 1 8.945 0.004 . 1 . . . . 13 L H . 16341 1 46 . 1 1 13 13 LEU C C 13 175.538 0.024 . 1 . . . . 13 L C . 16341 1 47 . 1 1 13 13 LEU CA C 13 53.420 0.024 . 1 . . . . 13 L CA . 16341 1 48 . 1 1 13 13 LEU CB C 13 46.941 0.024 . 1 . . . . 13 L CB . 16341 1 49 . 1 1 13 13 LEU N N 15 123.515 0.038 . 1 . . . . 13 L N . 16341 1 50 . 1 1 14 14 LYS H H 1 8.500 0.004 . 1 . . . . 14 K H . 16341 1 51 . 1 1 14 14 LYS C C 13 176.526 0.024 . 1 . . . . 14 K C . 16341 1 52 . 1 1 14 14 LYS CA C 13 55.572 0.024 . 1 . . . . 14 K CA . 16341 1 53 . 1 1 14 14 LYS CB C 13 33.807 0.024 . 1 . . . . 14 K CB . 16341 1 54 . 1 1 14 14 LYS N N 15 120.075 0.038 . 1 . . . . 14 K N . 16341 1 55 . 1 1 15 15 ILE H H 1 9.955 0.004 . 1 . . . . 15 I H . 16341 1 56 . 1 1 15 15 ILE C C 13 175.411 0.024 . 1 . . . . 15 I C . 16341 1 57 . 1 1 15 15 ILE CA C 13 59.376 0.024 . 1 . . . . 15 I CA . 16341 1 58 . 1 1 15 15 ILE CB C 13 38.360 0.024 . 1 . . . . 15 I CB . 16341 1 59 . 1 1 15 15 ILE N N 15 127.403 0.038 . 1 . . . . 15 I N . 16341 1 60 . 1 1 16 16 ASN H H 1 9.371 0.004 . 1 . . . . 16 N H . 16341 1 61 . 1 1 16 16 ASN C C 13 175.675 0.024 . 1 . . . . 16 N C . 16341 1 62 . 1 1 16 16 ASN CA C 13 53.967 0.024 . 1 . . . . 16 N CA . 16341 1 63 . 1 1 16 16 ASN CB C 13 37.450 0.024 . 1 . . . . 16 N CB . 16341 1 64 . 1 1 16 16 ASN N N 15 127.888 0.038 . 1 . . . . 16 N N . 16341 1 65 . 1 1 17 17 GLY H H 1 8.723 0.004 . 1 . . . . 17 G H . 16341 1 66 . 1 1 17 17 GLY C C 13 173.608 0.024 . 1 . . . . 17 G C . 16341 1 67 . 1 1 17 17 GLY CA C 13 45.622 0.024 . 1 . . . . 17 G CA . 16341 1 68 . 1 1 17 17 GLY N N 15 101.228 0.038 . 1 . . . . 17 G N . 16341 1 69 . 1 1 18 18 LYS H H 1 8.401 0.004 . 1 . . . . 18 K H . 16341 1 70 . 1 1 18 18 LYS C C 13 175.340 0.024 . 1 . . . . 18 K C . 16341 1 71 . 1 1 18 18 LYS CA C 13 54.944 0.024 . 1 . . . . 18 K CA . 16341 1 72 . 1 1 18 18 LYS CB C 13 34.743 0.024 . 1 . . . . 18 K CB . 16341 1 73 . 1 1 18 18 LYS N N 15 123.101 0.038 . 1 . . . . 18 K N . 16341 1 74 . 1 1 19 19 GLU H H 1 8.772 0.004 . 1 . . . . 19 E H . 16341 1 75 . 1 1 19 19 GLU C C 13 176.365 0.024 . 1 . . . . 19 E C . 16341 1 76 . 1 1 19 19 GLU CA C 13 57.570 0.024 . 1 . . . . 19 E CA . 16341 1 77 . 1 1 19 19 GLU CB C 13 30.617 0.024 . 1 . . . . 19 E CB . 16341 1 78 . 1 1 19 19 GLU N N 15 124.261 0.038 . 1 . . . . 19 E N . 16341 1 79 . 1 1 20 20 PHE H H 1 9.419 0.004 . 1 . . . . 20 F H . 16341 1 80 . 1 1 20 20 PHE CA C 13 57.111 0.024 . 1 . . . . 20 F CA . 16341 1 81 . 1 1 20 20 PHE CB C 13 44.443 0.024 . 1 . . . . 20 F CB . 16341 1 82 . 1 1 20 20 PHE N N 15 122.719 0.038 . 1 . . . . 20 F N . 16341 1 83 . 1 1 21 21 GLU C C 13 175.772 0.024 . 1 . . . . 21 E C . 16341 1 84 . 1 1 21 21 GLU CA C 13 55.101 0.024 . 1 . . . . 21 E CA . 16341 1 85 . 1 1 21 21 GLU CB C 13 31.995 0.024 . 1 . . . . 21 E CB . 16341 1 86 . 1 1 22 22 GLY H H 1 8.319 0.004 . 1 . . . . 22 G H . 16341 1 87 . 1 1 22 22 GLY C C 13 170.769 0.024 . 1 . . . . 22 G C . 16341 1 88 . 1 1 22 22 GLY CA C 13 44.373 0.024 . 1 . . . . 22 G CA . 16341 1 89 . 1 1 22 22 GLY N N 15 113.554 0.038 . 1 . . . . 22 G N . 16341 1 90 . 1 1 23 23 ILE H H 1 7.987 0.004 . 1 . . . . 23 I H . 16341 1 91 . 1 1 23 23 ILE C C 13 176.031 0.024 . 1 . . . . 23 I C . 16341 1 92 . 1 1 23 23 ILE CA C 13 59.228 0.024 . 1 . . . . 23 I CA . 16341 1 93 . 1 1 23 23 ILE CB C 13 39.699 0.024 . 1 . . . . 23 I CB . 16341 1 94 . 1 1 23 23 ILE N N 15 116.674 0.038 . 1 . . . . 23 I N . 16341 1 95 . 1 1 24 24 LEU H H 1 8.422 0.004 . 1 . . . . 24 L H . 16341 1 96 . 1 1 24 24 LEU CA C 13 55.777 0.024 . 1 . . . . 24 L CA . 16341 1 97 . 1 1 24 24 LEU CB C 13 41.212 0.024 . 1 . . . . 24 L CB . 16341 1 98 . 1 1 24 24 LEU N N 15 125.157 0.038 . 1 . . . . 24 L N . 16341 1 99 . 1 1 25 25 ASP C C 13 174.179 0.024 . 1 . . . . 25 D C . 16341 1 100 . 1 1 26 26 THR H H 1 8.395 0.004 . 1 . . . . 26 T H . 16341 1 101 . 1 1 26 26 THR C C 13 175.417 0.024 . 1 . . . . 26 T C . 16341 1 102 . 1 1 26 26 THR CA C 13 63.932 0.024 . 1 . . . . 26 T CA . 16341 1 103 . 1 1 26 26 THR CB C 13 68.770 0.024 . 1 . . . . 26 T CB . 16341 1 104 . 1 1 26 26 THR N N 15 116.322 0.038 . 1 . . . . 26 T N . 16341 1 105 . 1 1 27 27 GLY H H 1 8.425 0.004 . 1 . . . . 27 G H . 16341 1 106 . 1 1 27 27 GLY C C 13 173.295 0.024 . 1 . . . . 27 G C . 16341 1 107 . 1 1 27 27 GLY CA C 13 45.129 0.024 . 1 . . . . 27 G CA . 16341 1 108 . 1 1 27 27 GLY N N 15 108.152 0.038 . 1 . . . . 27 G N . 16341 1 109 . 1 1 28 28 ALA H H 1 7.372 0.004 . 1 . . . . 28 A H . 16341 1 110 . 1 1 28 28 ALA C C 13 176.336 0.024 . 1 . . . . 28 A C . 16341 1 111 . 1 1 28 28 ALA CA C 13 50.757 0.024 . 1 . . . . 28 A CA . 16341 1 112 . 1 1 28 28 ALA CB C 13 19.280 0.024 . 1 . . . . 28 A CB . 16341 1 113 . 1 1 28 28 ALA N N 15 123.912 0.038 . 1 . . . . 28 A N . 16341 1 114 . 1 1 29 29 ASP H H 1 8.800 0.004 . 1 . . . . 29 D H . 16341 1 115 . 1 1 29 29 ASP C C 13 175.669 0.024 . 1 . . . . 29 D C . 16341 1 116 . 1 1 29 29 ASP CA C 13 57.360 0.024 . 1 . . . . 29 D CA . 16341 1 117 . 1 1 29 29 ASP CB C 13 41.123 0.024 . 1 . . . . 29 D CB . 16341 1 118 . 1 1 29 29 ASP N N 15 123.650 0.038 . 1 . . . . 29 D N . 16341 1 119 . 1 1 30 30 LYS H H 1 7.689 0.004 . 1 . . . . 30 K H . 16341 1 120 . 1 1 30 30 LYS C C 13 175.610 0.024 . 1 . . . . 30 K C . 16341 1 121 . 1 1 30 30 LYS CA C 13 53.897 0.024 . 1 . . . . 30 K CA . 16341 1 122 . 1 1 30 30 LYS CB C 13 34.428 0.024 . 1 . . . . 30 K CB . 16341 1 123 . 1 1 30 30 LYS N N 15 117.180 0.038 . 1 . . . . 30 K N . 16341 1 124 . 1 1 31 31 SER H H 1 9.305 0.004 . 1 . . . . 31 S H . 16341 1 125 . 1 1 31 31 SER C C 13 171.636 0.024 . 1 . . . . 31 S C . 16341 1 126 . 1 1 31 31 SER CA C 13 60.882 0.024 . 1 . . . . 31 S CA . 16341 1 127 . 1 1 31 31 SER CB C 13 65.482 0.024 . 1 . . . . 31 S CB . 16341 1 128 . 1 1 31 31 SER N N 15 120.072 0.038 . 1 . . . . 31 S N . 16341 1 129 . 1 1 32 32 ILE H H 1 9.329 0.004 . 1 . . . . 32 I H . 16341 1 130 . 1 1 32 32 ILE C C 13 175.560 0.024 . 1 . . . . 32 I C . 16341 1 131 . 1 1 32 32 ILE CA C 13 60.254 0.024 . 1 . . . . 32 I CA . 16341 1 132 . 1 1 32 32 ILE CB C 13 42.808 0.024 . 1 . . . . 32 I CB . 16341 1 133 . 1 1 32 32 ILE N N 15 119.370 0.038 . 1 . . . . 32 I N . 16341 1 134 . 1 1 33 33 ILE H H 1 9.092 0.004 . 1 . . . . 33 I H . 16341 1 135 . 1 1 33 33 ILE C C 13 174.822 0.024 . 1 . . . . 33 I C . 16341 1 136 . 1 1 33 33 ILE CA C 13 59.086 0.024 . 1 . . . . 33 I CA . 16341 1 137 . 1 1 33 33 ILE CB C 13 38.283 0.024 . 1 . . . . 33 I CB . 16341 1 138 . 1 1 33 33 ILE N N 15 125.317 0.038 . 1 . . . . 33 I N . 16341 1 139 . 1 1 34 34 SER H H 1 9.299 0.004 . 1 . . . . 34 S H . 16341 1 140 . 1 1 34 34 SER C C 13 178.076 0.024 . 1 . . . . 34 S C . 16341 1 141 . 1 1 34 34 SER CA C 13 56.957 0.024 . 1 . . . . 34 S CA . 16341 1 142 . 1 1 34 34 SER CB C 13 63.381 0.024 . 1 . . . . 34 S CB . 16341 1 143 . 1 1 34 34 SER N N 15 118.923 0.038 . 1 . . . . 34 S N . 16341 1 144 . 1 1 35 35 THR H H 1 8.048 0.004 . 1 . . . . 35 T H . 16341 1 145 . 1 1 35 35 THR C C 13 176.202 0.024 . 1 . . . . 35 T C . 16341 1 146 . 1 1 35 35 THR CA C 13 65.318 0.024 . 1 . . . . 35 T CA . 16341 1 147 . 1 1 35 35 THR CB C 13 68.052 0.024 . 1 . . . . 35 T CB . 16341 1 148 . 1 1 35 35 THR N N 15 121.362 0.038 . 1 . . . . 35 T N . 16341 1 149 . 1 1 36 36 HIS H H 1 8.358 0.004 . 1 . . . . 36 H H . 16341 1 150 . 1 1 36 36 HIS C C 13 175.861 0.024 . 1 . . . . 36 H C . 16341 1 151 . 1 1 36 36 HIS CA C 13 57.900 0.024 . 1 . . . . 36 H CA . 16341 1 152 . 1 1 36 36 HIS CB C 13 28.442 0.024 . 1 . . . . 36 H CB . 16341 1 153 . 1 1 36 36 HIS N N 15 118.727 0.038 . 1 . . . . 36 H N . 16341 1 154 . 1 1 37 37 TRP H H 1 7.598 0.004 . 1 . . . . 37 W H . 16341 1 155 . 1 1 37 37 TRP C C 13 175.265 0.024 . 1 . . . . 37 W C . 16341 1 156 . 1 1 37 37 TRP CA C 13 57.770 0.024 . 1 . . . . 37 W CA . 16341 1 157 . 1 1 37 37 TRP CB C 13 31.169 0.024 . 1 . . . . 37 W CB . 16341 1 158 . 1 1 37 37 TRP N N 15 115.349 0.038 . 1 . . . . 37 W N . 16341 1 159 . 1 1 38 38 TRP H H 1 7.845 0.004 . 1 . . . . 38 W H . 16341 1 160 . 1 1 38 38 TRP CA C 13 55.258 0.024 . 1 . . . . 38 W CA . 16341 1 161 . 1 1 38 38 TRP CB C 13 30.031 0.024 . 1 . . . . 38 W CB . 16341 1 162 . 1 1 38 38 TRP N N 15 123.276 0.038 . 1 . . . . 38 W N . 16341 1 163 . 1 1 39 39 PRO C C 13 173.784 0.024 . 1 . . . . 39 P C . 16341 1 164 . 1 1 39 39 PRO CA C 13 62.431 0.024 . 1 . . . . 39 P CA . 16341 1 165 . 1 1 39 39 PRO CB C 13 30.338 0.024 . 1 . . . . 39 P CB . 16341 1 166 . 1 1 40 40 LYS H H 1 8.140 0.004 . 1 . . . . 40 K H . 16341 1 167 . 1 1 40 40 LYS C C 13 177.751 0.024 . 1 . . . . 40 K C . 16341 1 168 . 1 1 40 40 LYS CA C 13 58.735 0.024 . 1 . . . . 40 K CA . 16341 1 169 . 1 1 40 40 LYS CB C 13 32.352 0.024 . 1 . . . . 40 K CB . 16341 1 170 . 1 1 40 40 LYS N N 15 123.532 0.038 . 1 . . . . 40 K N . 16341 1 171 . 1 1 41 41 ALA H H 1 8.018 0.004 . 1 . . . . 41 A H . 16341 1 172 . 1 1 41 41 ALA C C 13 178.453 0.024 . 1 . . . . 41 A C . 16341 1 173 . 1 1 41 41 ALA CA C 13 52.786 0.024 . 1 . . . . 41 A CA . 16341 1 174 . 1 1 41 41 ALA CB C 13 18.701 0.024 . 1 . . . . 41 A CB . 16341 1 175 . 1 1 41 41 ALA N N 15 116.912 0.038 . 1 . . . . 41 A N . 16341 1 176 . 1 1 42 42 TRP H H 1 8.053 0.004 . 1 . . . . 42 W H . 16341 1 177 . 1 1 42 42 TRP CA C 13 53.238 0.024 . 1 . . . . 42 W CA . 16341 1 178 . 1 1 42 42 TRP CB C 13 28.252 0.024 . 1 . . . . 42 W CB . 16341 1 179 . 1 1 42 42 TRP N N 15 122.977 0.038 . 1 . . . . 42 W N . 16341 1 180 . 1 1 43 43 PRO C C 13 177.748 0.024 . 1 . . . . 43 P C . 16341 1 181 . 1 1 43 43 PRO CA C 13 63.710 0.024 . 1 . . . . 43 P CA . 16341 1 182 . 1 1 43 43 PRO CB C 13 31.924 0.024 . 1 . . . . 43 P CB . 16341 1 183 . 1 1 44 44 THR H H 1 8.339 0.004 . 1 . . . . 44 T H . 16341 1 184 . 1 1 44 44 THR C C 13 173.857 0.024 . 1 . . . . 44 T C . 16341 1 185 . 1 1 44 44 THR CA C 13 59.893 0.024 . 1 . . . . 44 T CA . 16341 1 186 . 1 1 44 44 THR CB C 13 72.838 0.024 . 1 . . . . 44 T CB . 16341 1 187 . 1 1 44 44 THR N N 15 111.495 0.038 . 1 . . . . 44 T N . 16341 1 188 . 1 1 45 45 THR H H 1 8.966 0.004 . 1 . . . . 45 T H . 16341 1 189 . 1 1 45 45 THR C C 13 172.932 0.024 . 1 . . . . 45 T C . 16341 1 190 . 1 1 45 45 THR CA C 13 60.376 0.024 . 1 . . . . 45 T CA . 16341 1 191 . 1 1 45 45 THR CB C 13 70.716 0.024 . 1 . . . . 45 T CB . 16341 1 192 . 1 1 45 45 THR N N 15 114.022 0.038 . 1 . . . . 45 T N . 16341 1 193 . 1 1 46 46 GLU H H 1 8.287 0.004 . 1 . . . . 46 E H . 16341 1 194 . 1 1 46 46 GLU C C 13 176.565 0.024 . 1 . . . . 46 E C . 16341 1 195 . 1 1 46 46 GLU CA C 13 56.720 0.024 . 1 . . . . 46 E CA . 16341 1 196 . 1 1 46 46 GLU CB C 13 30.231 0.024 . 1 . . . . 46 E CB . 16341 1 197 . 1 1 46 46 GLU N N 15 123.625 0.038 . 1 . . . . 46 E N . 16341 1 198 . 1 1 47 47 SER H H 1 8.288 0.004 . 1 . . . . 47 S H . 16341 1 199 . 1 1 47 47 SER CA C 13 58.125 0.024 . 1 . . . . 47 S CA . 16341 1 200 . 1 1 47 47 SER CB C 13 64.260 0.024 . 1 . . . . 47 S CB . 16341 1 201 . 1 1 47 47 SER N N 15 117.676 0.038 . 1 . . . . 47 S N . 16341 1 202 . 1 1 49 49 HIS C C 13 175.518 0.024 . 1 . . . . 49 H C . 16341 1 203 . 1 1 49 49 HIS CA C 13 55.927 0.024 . 1 . . . . 49 H CA . 16341 1 204 . 1 1 49 49 HIS CB C 13 29.212 0.024 . 1 . . . . 49 H CB . 16341 1 205 . 1 1 50 50 SER H H 1 7.843 0.004 . 1 . . . . 50 S H . 16341 1 206 . 1 1 50 50 SER C C 13 174.360 0.024 . 1 . . . . 50 S C . 16341 1 207 . 1 1 50 50 SER CA C 13 58.242 0.024 . 1 . . . . 50 S CA . 16341 1 208 . 1 1 50 50 SER CB C 13 64.068 0.024 . 1 . . . . 50 S CB . 16341 1 209 . 1 1 50 50 SER N N 15 115.624 0.038 . 1 . . . . 50 S N . 16341 1 210 . 1 1 51 51 LEU H H 1 8.460 0.004 . 1 . . . . 51 L H . 16341 1 211 . 1 1 51 51 LEU C C 13 175.603 0.024 . 1 . . . . 51 L C . 16341 1 212 . 1 1 51 51 LEU CA C 13 53.552 0.024 . 1 . . . . 51 L CA . 16341 1 213 . 1 1 51 51 LEU CB C 13 38.760 0.024 . 1 . . . . 51 L CB . 16341 1 214 . 1 1 51 51 LEU N N 15 120.604 0.038 . 1 . . . . 51 L N . 16341 1 215 . 1 1 52 52 GLN H H 1 8.408 0.004 . 1 . . . . 52 Q H . 16341 1 216 . 1 1 52 52 GLN C C 13 176.501 0.024 . 1 . . . . 52 Q C . 16341 1 217 . 1 1 52 52 GLN CA C 13 56.282 0.024 . 1 . . . . 52 Q CA . 16341 1 218 . 1 1 52 52 GLN CB C 13 29.094 0.024 . 1 . . . . 52 Q CB . 16341 1 219 . 1 1 52 52 GLN N N 15 120.484 0.038 . 1 . . . . 52 Q N . 16341 1 220 . 1 1 53 53 GLY H H 1 8.453 0.004 . 1 . . . . 53 G H . 16341 1 221 . 1 1 53 53 GLY C C 13 174.128 0.024 . 1 . . . . 53 G C . 16341 1 222 . 1 1 53 53 GLY CA C 13 45.265 0.024 . 1 . . . . 53 G CA . 16341 1 223 . 1 1 53 53 GLY N N 15 109.991 0.038 . 1 . . . . 53 G N . 16341 1 224 . 1 1 54 54 LEU H H 1 8.109 0.004 . 1 . . . . 54 L H . 16341 1 225 . 1 1 54 54 LEU C C 13 177.117 0.024 . 1 . . . . 54 L C . 16341 1 226 . 1 1 54 54 LEU CA C 13 55.354 0.024 . 1 . . . . 54 L CA . 16341 1 227 . 1 1 54 54 LEU CB C 13 41.962 0.024 . 1 . . . . 54 L CB . 16341 1 228 . 1 1 54 54 LEU N N 15 121.164 0.038 . 1 . . . . 54 L N . 16341 1 229 . 1 1 55 55 GLY H H 1 8.381 0.004 . 1 . . . . 55 G H . 16341 1 230 . 1 1 55 55 GLY C C 13 173.916 0.024 . 1 . . . . 55 G C . 16341 1 231 . 1 1 55 55 GLY CA C 13 45.314 0.024 . 1 . . . . 55 G CA . 16341 1 232 . 1 1 55 55 GLY N N 15 109.468 0.038 . 1 . . . . 55 G N . 16341 1 233 . 1 1 56 56 TYR H H 1 7.702 0.004 . 1 . . . . 56 Y H . 16341 1 234 . 1 1 56 56 TYR CA C 13 57.843 0.024 . 1 . . . . 56 Y CA . 16341 1 235 . 1 1 56 56 TYR CB C 13 38.838 0.024 . 1 . . . . 56 Y CB . 16341 1 236 . 1 1 56 56 TYR N N 15 119.441 0.038 . 1 . . . . 56 Y N . 16341 1 237 . 1 1 57 57 GLN C C 13 174.399 0.024 . 1 . . . . 57 Q C . 16341 1 238 . 1 1 57 57 GLN CA C 13 55.545 0.024 . 1 . . . . 57 Q CA . 16341 1 239 . 1 1 57 57 GLN CB C 13 30.247 0.024 . 1 . . . . 57 Q CB . 16341 1 240 . 1 1 58 58 SER H H 1 8.322 0.004 . 1 . . . . 58 S H . 16341 1 241 . 1 1 58 58 SER C C 13 173.711 0.024 . 1 . . . . 58 S C . 16341 1 242 . 1 1 58 58 SER CA C 13 58.388 0.024 . 1 . . . . 58 S CA . 16341 1 243 . 1 1 58 58 SER CB C 13 63.698 0.024 . 1 . . . . 58 S CB . 16341 1 244 . 1 1 58 58 SER N N 15 116.393 0.038 . 1 . . . . 58 S N . 16341 1 245 . 1 1 59 59 CYS H H 1 8.542 0.004 . 1 . . . . 59 C H . 16341 1 246 . 1 1 59 59 CYS CA C 13 53.787 0.024 . 1 . . . . 59 C CA . 16341 1 247 . 1 1 59 59 CYS CB C 13 40.864 0.024 . 1 . . . . 59 C CB . 16341 1 248 . 1 1 59 59 CYS N N 15 121.379 0.038 . 1 . . . . 59 C N . 16341 1 249 . 1 1 60 60 PRO C C 13 176.021 0.024 . 1 . . . . 60 P C . 16341 1 250 . 1 1 60 60 PRO CA C 13 63.168 0.024 . 1 . . . . 60 P CA . 16341 1 251 . 1 1 60 60 PRO CB C 13 32.007 0.024 . 1 . . . . 60 P CB . 16341 1 252 . 1 1 61 61 THR H H 1 7.507 0.004 . 1 . . . . 61 T H . 16341 1 253 . 1 1 61 61 THR C C 13 172.923 0.024 . 1 . . . . 61 T C . 16341 1 254 . 1 1 61 61 THR CA C 13 62.766 0.024 . 1 . . . . 61 T CA . 16341 1 255 . 1 1 61 61 THR CB C 13 70.002 0.024 . 1 . . . . 61 T CB . 16341 1 256 . 1 1 61 61 THR N N 15 116.116 0.038 . 1 . . . . 61 T N . 16341 1 257 . 1 1 62 62 ILE H H 1 8.842 0.004 . 1 . . . . 62 I H . 16341 1 258 . 1 1 62 62 ILE C C 13 174.092 0.024 . 1 . . . . 62 I C . 16341 1 259 . 1 1 62 62 ILE CA C 13 59.165 0.024 . 1 . . . . 62 I CA . 16341 1 260 . 1 1 62 62 ILE CB C 13 43.417 0.024 . 1 . . . . 62 I CB . 16341 1 261 . 1 1 62 62 ILE N N 15 121.890 0.038 . 1 . . . . 62 I N . 16341 1 262 . 1 1 63 63 SER H H 1 7.659 0.004 . 1 . . . . 63 S H . 16341 1 263 . 1 1 63 63 SER C C 13 175.703 0.024 . 1 . . . . 63 S C . 16341 1 264 . 1 1 63 63 SER CA C 13 59.326 0.024 . 1 . . . . 63 S CA . 16341 1 265 . 1 1 63 63 SER CB C 13 63.856 0.024 . 1 . . . . 63 S CB . 16341 1 266 . 1 1 63 63 SER N N 15 115.380 0.038 . 1 . . . . 63 S N . 16341 1 267 . 1 1 64 64 SER H H 1 8.378 0.004 . 1 . . . . 64 S H . 16341 1 268 . 1 1 64 64 SER C C 13 173.408 0.024 . 1 . . . . 64 S C . 16341 1 269 . 1 1 64 64 SER CA C 13 61.469 0.024 . 1 . . . . 64 S CA . 16341 1 270 . 1 1 64 64 SER CB C 13 63.326 0.024 . 1 . . . . 64 S CB . 16341 1 271 . 1 1 64 64 SER N N 15 122.318 0.038 . 1 . . . . 64 S N . 16341 1 272 . 1 1 65 65 VAL H H 1 7.182 0.004 . 1 . . . . 65 V H . 16341 1 273 . 1 1 65 65 VAL C C 13 174.990 0.024 . 1 . . . . 65 V C . 16341 1 274 . 1 1 65 65 VAL CA C 13 58.548 0.024 . 1 . . . . 65 V CA . 16341 1 275 . 1 1 65 65 VAL CB C 13 35.613 0.024 . 1 . . . . 65 V CB . 16341 1 276 . 1 1 65 65 VAL N N 15 110.329 0.038 . 1 . . . . 65 V N . 16341 1 277 . 1 1 66 66 ALA H H 1 8.521 0.004 . 1 . . . . 66 A H . 16341 1 278 . 1 1 66 66 ALA C C 13 176.798 0.024 . 1 . . . . 66 A C . 16341 1 279 . 1 1 66 66 ALA CA C 13 52.454 0.024 . 1 . . . . 66 A CA . 16341 1 280 . 1 1 66 66 ALA CB C 13 18.032 0.024 . 1 . . . . 66 A CB . 16341 1 281 . 1 1 66 66 ALA N N 15 124.330 0.038 . 1 . . . . 66 A N . 16341 1 282 . 1 1 67 67 LEU H H 1 9.067 0.004 . 1 . . . . 67 L H . 16341 1 283 . 1 1 67 67 LEU C C 13 176.542 0.024 . 1 . . . . 67 L C . 16341 1 284 . 1 1 67 67 LEU CA C 13 52.742 0.024 . 1 . . . . 67 L CA . 16341 1 285 . 1 1 67 67 LEU CB C 13 43.659 0.024 . 1 . . . . 67 L CB . 16341 1 286 . 1 1 67 67 LEU N N 15 124.095 0.038 . 1 . . . . 67 L N . 16341 1 287 . 1 1 68 68 THR H H 1 8.569 0.004 . 1 . . . . 68 T H . 16341 1 288 . 1 1 68 68 THR C C 13 174.003 0.024 . 1 . . . . 68 T C . 16341 1 289 . 1 1 68 68 THR CA C 13 61.941 0.024 . 1 . . . . 68 T CA . 16341 1 290 . 1 1 68 68 THR CB C 13 70.089 0.024 . 1 . . . . 68 T CB . 16341 1 291 . 1 1 68 68 THR N N 15 117.247 0.038 . 1 . . . . 68 T N . 16341 1 292 . 1 1 69 69 TRP H H 1 8.497 0.004 . 1 . . . . 69 W H . 16341 1 293 . 1 1 69 69 TRP C C 13 174.472 0.024 . 1 . . . . 69 W C . 16341 1 294 . 1 1 69 69 TRP CA C 13 53.728 0.024 . 1 . . . . 69 W CA . 16341 1 295 . 1 1 69 69 TRP CB C 13 32.964 0.024 . 1 . . . . 69 W CB . 16341 1 296 . 1 1 69 69 TRP N N 15 124.307 0.038 . 1 . . . . 69 W N . 16341 1 297 . 1 1 70 70 GLU H H 1 8.758 0.004 . 1 . . . . 70 E H . 16341 1 298 . 1 1 70 70 GLU C C 13 176.509 0.024 . 1 . . . . 70 E C . 16341 1 299 . 1 1 70 70 GLU CA C 13 55.019 0.024 . 1 . . . . 70 E CA . 16341 1 300 . 1 1 70 70 GLU CB C 13 33.851 0.024 . 1 . . . . 70 E CB . 16341 1 301 . 1 1 70 70 GLU N N 15 117.732 0.038 . 1 . . . . 70 E N . 16341 1 302 . 1 1 71 71 SER H H 1 9.356 0.004 . 1 . . . . 71 S H . 16341 1 303 . 1 1 71 71 SER C C 13 176.678 0.024 . 1 . . . . 71 S C . 16341 1 304 . 1 1 71 71 SER CA C 13 56.316 0.024 . 1 . . . . 71 S CA . 16341 1 305 . 1 1 71 71 SER CB C 13 66.332 0.024 . 1 . . . . 71 S CB . 16341 1 306 . 1 1 71 71 SER N N 15 121.571 0.038 . 1 . . . . 71 S N . 16341 1 307 . 1 1 72 72 SER H H 1 9.626 0.004 . 1 . . . . 72 S H . 16341 1 308 . 1 1 72 72 SER C C 13 175.384 0.024 . 1 . . . . 72 S C . 16341 1 309 . 1 1 72 72 SER CA C 13 61.325 0.024 . 1 . . . . 72 S CA . 16341 1 310 . 1 1 72 72 SER CB C 13 62.856 0.024 . 1 . . . . 72 S CB . 16341 1 311 . 1 1 72 72 SER N N 15 119.121 0.038 . 1 . . . . 72 S N . 16341 1 312 . 1 1 73 73 GLU H H 1 8.042 0.004 . 1 . . . . 73 E H . 16341 1 313 . 1 1 73 73 GLU C C 13 176.830 0.024 . 1 . . . . 73 E C . 16341 1 314 . 1 1 73 73 GLU CA C 13 56.665 0.024 . 1 . . . . 73 E CA . 16341 1 315 . 1 1 73 73 GLU CB C 13 28.818 0.024 . 1 . . . . 73 E CB . 16341 1 316 . 1 1 73 73 GLU N N 15 118.106 0.038 . 1 . . . . 73 E N . 16341 1 317 . 1 1 74 74 GLY H H 1 7.907 0.004 . 1 . . . . 74 G H . 16341 1 318 . 1 1 74 74 GLY C C 13 175.167 0.024 . 1 . . . . 74 G C . 16341 1 319 . 1 1 74 74 GLY CA C 13 45.449 0.024 . 1 . . . . 74 G CA . 16341 1 320 . 1 1 74 74 GLY N N 15 106.908 0.038 . 1 . . . . 74 G N . 16341 1 321 . 1 1 75 75 GLN H H 1 7.390 0.004 . 1 . . . . 75 Q H . 16341 1 322 . 1 1 75 75 GLN C C 13 174.003 0.024 . 1 . . . . 75 Q C . 16341 1 323 . 1 1 75 75 GLN CA C 13 56.144 0.024 . 1 . . . . 75 Q CA . 16341 1 324 . 1 1 75 75 GLN CB C 13 28.333 0.024 . 1 . . . . 75 Q CB . 16341 1 325 . 1 1 75 75 GLN N N 15 119.645 0.038 . 1 . . . . 75 Q N . 16341 1 326 . 1 1 76 76 GLN H H 1 7.955 0.004 . 1 . . . . 76 Q H . 16341 1 327 . 1 1 76 76 GLN C C 13 174.149 0.024 . 1 . . . . 76 Q C . 16341 1 328 . 1 1 76 76 GLN CA C 13 53.504 0.024 . 1 . . . . 76 Q CA . 16341 1 329 . 1 1 76 76 GLN CB C 13 32.749 0.024 . 1 . . . . 76 Q CB . 16341 1 330 . 1 1 76 76 GLN N N 15 118.833 0.038 . 1 . . . . 76 Q N . 16341 1 331 . 1 1 77 77 GLY H H 1 6.504 0.004 . 1 . . . . 77 G H . 16341 1 332 . 1 1 77 77 GLY C C 13 170.773 0.024 . 1 . . . . 77 G C . 16341 1 333 . 1 1 77 77 GLY CA C 13 44.712 0.024 . 1 . . . . 77 G CA . 16341 1 334 . 1 1 77 77 GLY N N 15 106.764 0.038 . 1 . . . . 77 G N . 16341 1 335 . 1 1 78 78 LYS H H 1 8.138 0.004 . 1 . . . . 78 K H . 16341 1 336 . 1 1 78 78 LYS C C 13 176.895 0.024 . 1 . . . . 78 K C . 16341 1 337 . 1 1 78 78 LYS CA C 13 54.043 0.024 . 1 . . . . 78 K CA . 16341 1 338 . 1 1 78 78 LYS CB C 13 35.897 0.024 . 1 . . . . 78 K CB . 16341 1 339 . 1 1 78 78 LYS N N 15 116.736 0.038 . 1 . . . . 78 K N . 16341 1 340 . 1 1 79 79 PHE H H 1 9.609 0.004 . 1 . . . . 79 F H . 16341 1 341 . 1 1 79 79 PHE C C 13 172.151 0.024 . 1 . . . . 79 F C . 16341 1 342 . 1 1 79 79 PHE CA C 13 55.745 0.024 . 1 . . . . 79 F CA . 16341 1 343 . 1 1 79 79 PHE CB C 13 39.473 0.024 . 1 . . . . 79 F CB . 16341 1 344 . 1 1 79 79 PHE N N 15 121.877 0.038 . 1 . . . . 79 F N . 16341 1 345 . 1 1 80 80 ILE H H 1 9.063 0.004 . 1 . . . . 80 I H . 16341 1 346 . 1 1 80 80 ILE CA C 13 58.942 0.024 . 1 . . . . 80 I CA . 16341 1 347 . 1 1 80 80 ILE CB C 13 39.525 0.024 . 1 . . . . 80 I CB . 16341 1 348 . 1 1 80 80 ILE N N 15 120.194 0.038 . 1 . . . . 80 I N . 16341 1 349 . 1 1 81 81 PRO C C 13 176.947 0.024 . 1 . . . . 81 P C . 16341 1 350 . 1 1 81 81 PRO CA C 13 62.562 0.024 . 1 . . . . 81 P CA . 16341 1 351 . 1 1 81 81 PRO CB C 13 31.766 0.024 . 1 . . . . 81 P CB . 16341 1 352 . 1 1 82 82 TYR H H 1 8.183 0.004 . 1 . . . . 82 Y H . 16341 1 353 . 1 1 82 82 TYR C C 13 174.955 0.024 . 1 . . . . 82 Y C . 16341 1 354 . 1 1 82 82 TYR CA C 13 58.015 0.024 . 1 . . . . 82 Y CA . 16341 1 355 . 1 1 82 82 TYR CB C 13 40.192 0.024 . 1 . . . . 82 Y CB . 16341 1 356 . 1 1 82 82 TYR N N 15 115.480 0.038 . 1 . . . . 82 Y N . 16341 1 357 . 1 1 83 83 VAL H H 1 7.873 0.004 . 1 . . . . 83 V H . 16341 1 358 . 1 1 83 83 VAL C C 13 176.291 0.024 . 1 . . . . 83 V C . 16341 1 359 . 1 1 83 83 VAL CA C 13 61.362 0.024 . 1 . . . . 83 V CA . 16341 1 360 . 1 1 83 83 VAL CB C 13 32.222 0.024 . 1 . . . . 83 V CB . 16341 1 361 . 1 1 83 83 VAL N N 15 121.450 0.038 . 1 . . . . 83 V N . 16341 1 362 . 1 1 84 84 LEU H H 1 7.650 0.004 . 1 . . . . 84 L H . 16341 1 363 . 1 1 84 84 LEU CA C 13 51.933 0.024 . 1 . . . . 84 L CA . 16341 1 364 . 1 1 84 84 LEU CB C 13 46.061 0.024 . 1 . . . . 84 L CB . 16341 1 365 . 1 1 84 84 LEU N N 15 123.215 0.038 . 1 . . . . 84 L N . 16341 1 366 . 1 1 85 85 PRO C C 13 175.856 0.024 . 1 . . . . 85 P C . 16341 1 367 . 1 1 85 85 PRO CA C 13 63.473 0.024 . 1 . . . . 85 P CA . 16341 1 368 . 1 1 85 85 PRO CB C 13 31.697 0.024 . 1 . . . . 85 P CB . 16341 1 369 . 1 1 86 86 LEU H H 1 7.944 0.004 . 1 . . . . 86 L H . 16341 1 370 . 1 1 86 86 LEU CA C 13 54.977 0.024 . 1 . . . . 86 L CA . 16341 1 371 . 1 1 86 86 LEU CB C 13 40.795 0.024 . 1 . . . . 86 L CB . 16341 1 372 . 1 1 86 86 LEU N N 15 123.733 0.038 . 1 . . . . 86 L N . 16341 1 373 . 1 1 87 87 PRO C C 13 175.571 0.024 . 1 . . . . 87 P C . 16341 1 374 . 1 1 87 87 PRO CA C 13 64.533 0.024 . 1 . . . . 87 P CA . 16341 1 375 . 1 1 87 87 PRO CB C 13 32.094 0.024 . 1 . . . . 87 P CB . 16341 1 376 . 1 1 88 88 VAL H H 1 6.852 0.004 . 1 . . . . 88 V H . 16341 1 377 . 1 1 88 88 VAL C C 13 172.995 0.024 . 1 . . . . 88 V C . 16341 1 378 . 1 1 88 88 VAL CA C 13 58.483 0.024 . 1 . . . . 88 V CA . 16341 1 379 . 1 1 88 88 VAL CB C 13 35.384 0.024 . 1 . . . . 88 V CB . 16341 1 380 . 1 1 88 88 VAL N N 15 108.601 0.038 . 1 . . . . 88 V N . 16341 1 381 . 1 1 89 89 ASN H H 1 7.780 0.004 . 1 . . . . 89 N H . 16341 1 382 . 1 1 89 89 ASN C C 13 173.705 0.024 . 1 . . . . 89 N C . 16341 1 383 . 1 1 89 89 ASN CA C 13 52.189 0.024 . 1 . . . . 89 N CA . 16341 1 384 . 1 1 89 89 ASN CB C 13 38.211 0.024 . 1 . . . . 89 N CB . 16341 1 385 . 1 1 89 89 ASN N N 15 114.666 0.038 . 1 . . . . 89 N N . 16341 1 386 . 1 1 90 90 LEU H H 1 9.150 0.004 . 1 . . . . 90 L H . 16341 1 387 . 1 1 90 90 LEU C C 13 174.637 0.024 . 1 . . . . 90 L C . 16341 1 388 . 1 1 90 90 LEU CA C 13 53.605 0.024 . 1 . . . . 90 L CA . 16341 1 389 . 1 1 90 90 LEU CB C 13 45.125 0.024 . 1 . . . . 90 L CB . 16341 1 390 . 1 1 90 90 LEU N N 15 122.726 0.038 . 1 . . . . 90 L N . 16341 1 391 . 1 1 91 91 TRP H H 1 8.702 0.004 . 1 . . . . 91 W H . 16341 1 392 . 1 1 91 91 TRP C C 13 175.588 0.024 . 1 . . . . 91 W C . 16341 1 393 . 1 1 91 91 TRP CA C 13 52.885 0.024 . 1 . . . . 91 W CA . 16341 1 394 . 1 1 91 91 TRP CB C 13 30.444 0.024 . 1 . . . . 91 W CB . 16341 1 395 . 1 1 91 91 TRP N N 15 123.939 0.038 . 1 . . . . 91 W N . 16341 1 396 . 1 1 92 92 GLY H H 1 9.281 0.004 . 1 . . . . 92 G H . 16341 1 397 . 1 1 92 92 GLY C C 13 175.267 0.024 . 1 . . . . 92 G C . 16341 1 398 . 1 1 92 92 GLY CA C 13 43.032 0.024 . 1 . . . . 92 G CA . 16341 1 399 . 1 1 92 92 GLY N N 15 112.000 0.038 . 1 . . . . 92 G N . 16341 1 400 . 1 1 93 93 ARG H H 1 8.990 0.004 . 1 . . . . 93 R H . 16341 1 401 . 1 1 93 93 ARG C C 13 176.729 0.024 . 1 . . . . 93 R C . 16341 1 402 . 1 1 93 93 ARG CA C 13 60.133 0.024 . 1 . . . . 93 R CA . 16341 1 403 . 1 1 93 93 ARG CB C 13 30.600 0.024 . 1 . . . . 93 R CB . 16341 1 404 . 1 1 93 93 ARG N N 15 118.785 0.038 . 1 . . . . 93 R N . 16341 1 405 . 1 1 94 94 ASP H H 1 7.994 0.004 . 1 . . . . 94 D H . 16341 1 406 . 1 1 94 94 ASP C C 13 177.855 0.024 . 1 . . . . 94 D C . 16341 1 407 . 1 1 94 94 ASP CA C 13 56.464 0.024 . 1 . . . . 94 D CA . 16341 1 408 . 1 1 94 94 ASP CB C 13 37.787 0.024 . 1 . . . . 94 D CB . 16341 1 409 . 1 1 94 94 ASP N N 15 118.628 0.038 . 1 . . . . 94 D N . 16341 1 410 . 1 1 95 95 ILE H H 1 7.881 0.004 . 1 . . . . 95 I H . 16341 1 411 . 1 1 95 95 ILE C C 13 177.957 0.024 . 1 . . . . 95 I C . 16341 1 412 . 1 1 95 95 ILE CA C 13 63.219 0.024 . 1 . . . . 95 I CA . 16341 1 413 . 1 1 95 95 ILE CB C 13 39.251 0.024 . 1 . . . . 95 I CB . 16341 1 414 . 1 1 95 95 ILE N N 15 122.590 0.038 . 1 . . . . 95 I N . 16341 1 415 . 1 1 96 96 MET H H 1 8.563 0.004 . 1 . . . . 96 M H . 16341 1 416 . 1 1 96 96 MET C C 13 178.509 0.024 . 1 . . . . 96 M C . 16341 1 417 . 1 1 96 96 MET CA C 13 59.718 0.024 . 1 . . . . 96 M CA . 16341 1 418 . 1 1 96 96 MET CB C 13 33.025 0.024 . 1 . . . . 96 M CB . 16341 1 419 . 1 1 96 96 MET N N 15 115.073 0.038 . 1 . . . . 96 M N . 16341 1 420 . 1 1 97 97 GLN H H 1 8.483 0.004 . 1 . . . . 97 Q H . 16341 1 421 . 1 1 97 97 GLN C C 13 176.563 0.024 . 1 . . . . 97 Q C . 16341 1 422 . 1 1 97 97 GLN CA C 13 58.097 0.024 . 1 . . . . 97 Q CA . 16341 1 423 . 1 1 97 97 GLN CB C 13 27.794 0.024 . 1 . . . . 97 Q CB . 16341 1 424 . 1 1 97 97 GLN N N 15 115.893 0.038 . 1 . . . . 97 Q N . 16341 1 425 . 1 1 98 98 HIS H H 1 7.631 0.004 . 1 . . . . 98 H H . 16341 1 426 . 1 1 98 98 HIS C C 13 175.519 0.024 . 1 . . . . 98 H C . 16341 1 427 . 1 1 98 98 HIS CA C 13 56.468 0.024 . 1 . . . . 98 H CA . 16341 1 428 . 1 1 98 98 HIS CB C 13 30.932 0.024 . 1 . . . . 98 H CB . 16341 1 429 . 1 1 98 98 HIS N N 15 117.085 0.038 . 1 . . . . 98 H N . 16341 1 430 . 1 1 99 99 LEU H H 1 7.325 0.004 . 1 . . . . 99 L H . 16341 1 431 . 1 1 99 99 LEU C C 13 177.072 0.024 . 1 . . . . 99 L C . 16341 1 432 . 1 1 99 99 LEU CA C 13 54.627 0.024 . 1 . . . . 99 L CA . 16341 1 433 . 1 1 99 99 LEU CB C 13 42.455 0.024 . 1 . . . . 99 L CB . 16341 1 434 . 1 1 99 99 LEU N N 15 118.220 0.038 . 1 . . . . 99 L N . 16341 1 435 . 1 1 100 100 GLY H H 1 8.046 0.004 . 1 . . . . 100 G H . 16341 1 436 . 1 1 100 100 GLY C C 13 174.558 0.024 . 1 . . . . 100 G C . 16341 1 437 . 1 1 100 100 GLY CA C 13 46.003 0.024 . 1 . . . . 100 G CA . 16341 1 438 . 1 1 100 100 GLY N N 15 107.739 0.038 . 1 . . . . 100 G N . 16341 1 439 . 1 1 101 101 LEU H H 1 7.619 0.004 . 1 . . . . 101 L H . 16341 1 440 . 1 1 101 101 LEU C C 13 174.743 0.024 . 1 . . . . 101 L C . 16341 1 441 . 1 1 101 101 LEU CA C 13 55.039 0.024 . 1 . . . . 101 L CA . 16341 1 442 . 1 1 101 101 LEU CB C 13 42.481 0.024 . 1 . . . . 101 L CB . 16341 1 443 . 1 1 101 101 LEU N N 15 119.145 0.038 . 1 . . . . 101 L N . 16341 1 444 . 1 1 102 102 ILE H H 1 8.011 0.004 . 1 . . . . 102 I H . 16341 1 445 . 1 1 102 102 ILE C C 13 176.116 0.024 . 1 . . . . 102 I C . 16341 1 446 . 1 1 102 102 ILE CA C 13 60.732 0.024 . 1 . . . . 102 I CA . 16341 1 447 . 1 1 102 102 ILE CB C 13 37.956 0.024 . 1 . . . . 102 I CB . 16341 1 448 . 1 1 102 102 ILE N N 15 120.554 0.038 . 1 . . . . 102 I N . 16341 1 449 . 1 1 103 103 LEU H H 1 8.354 0.004 . 1 . . . . 103 L H . 16341 1 450 . 1 1 103 103 LEU C C 13 177.151 0.024 . 1 . . . . 103 L C . 16341 1 451 . 1 1 103 103 LEU CA C 13 54.889 0.024 . 1 . . . . 103 L CA . 16341 1 452 . 1 1 103 103 LEU CB C 13 41.858 0.024 . 1 . . . . 103 L CB . 16341 1 453 . 1 1 103 103 LEU N N 15 126.280 0.038 . 1 . . . . 103 L N . 16341 1 454 . 1 1 104 104 SER H H 1 8.257 0.004 . 1 . . . . 104 S H . 16341 1 455 . 1 1 104 104 SER C C 13 174.738 0.024 . 1 . . . . 104 S C . 16341 1 456 . 1 1 104 104 SER CA C 13 58.234 0.024 . 1 . . . . 104 S CA . 16341 1 457 . 1 1 104 104 SER CB C 13 64.022 0.024 . 1 . . . . 104 S CB . 16341 1 458 . 1 1 104 104 SER N N 15 116.114 0.038 . 1 . . . . 104 S N . 16341 1 459 . 1 1 105 105 ASN H H 1 8.441 0.004 . 1 . . . . 105 N H . 16341 1 460 . 1 1 105 105 ASN C C 13 175.606 0.024 . 1 . . . . 105 N C . 16341 1 461 . 1 1 105 105 ASN CA C 13 54.848 0.024 . 1 . . . . 105 N CA . 16341 1 462 . 1 1 105 105 ASN CB C 13 42.030 0.024 . 1 . . . . 105 N CB . 16341 1 463 . 1 1 105 105 ASN N N 15 124.356 0.038 . 1 . . . . 105 N N . 16341 1 464 . 1 1 106 106 GLU H H 1 8.362 0.004 . 1 . . . . 106 E H . 16341 1 465 . 1 1 106 106 GLU C C 13 174.052 0.024 . 1 . . . . 106 E C . 16341 1 466 . 1 1 106 106 GLU CA C 13 57.114 0.024 . 1 . . . . 106 E CA . 16341 1 467 . 1 1 106 106 GLU CB C 13 29.744 0.024 . 1 . . . . 106 E CB . 16341 1 468 . 1 1 106 106 GLU N N 15 121.504 0.038 . 1 . . . . 106 E N . 16341 1 469 . 1 1 107 107 ASN H H 1 8.345 0.004 . 1 . . . . 107 N H . 16341 1 470 . 1 1 107 107 ASN C C 13 175.078 0.024 . 1 . . . . 107 N C . 16341 1 471 . 1 1 107 107 ASN CA C 13 53.488 0.024 . 1 . . . . 107 N CA . 16341 1 472 . 1 1 107 107 ASN CB C 13 38.811 0.024 . 1 . . . . 107 N CB . 16341 1 473 . 1 1 107 107 ASN N N 15 118.548 0.038 . 1 . . . . 107 N N . 16341 1 474 . 1 1 108 108 ALA H H 1 8.043 0.004 . 1 . . . . 108 A H . 16341 1 475 . 1 1 108 108 ALA CA C 13 50.723 0.024 . 1 . . . . 108 A CA . 16341 1 476 . 1 1 108 108 ALA CB C 13 17.987 0.024 . 1 . . . . 108 A CB . 16341 1 477 . 1 1 108 108 ALA N N 15 124.773 0.038 . 1 . . . . 108 A N . 16341 1 478 . 1 1 109 109 PRO C C 13 177.338 0.024 . 1 . . . . 109 P C . 16341 1 479 . 1 1 109 109 PRO CA C 13 63.306 0.024 . 1 . . . . 109 P CA . 16341 1 480 . 1 1 109 109 PRO CB C 13 31.599 0.024 . 1 . . . . 109 P CB . 16341 1 481 . 1 1 110 110 SER H H 1 8.415 0.004 . 1 . . . . 110 S H . 16341 1 482 . 1 1 110 110 SER C C 13 175.346 0.024 . 1 . . . . 110 S C . 16341 1 483 . 1 1 110 110 SER CA C 13 58.775 0.024 . 1 . . . . 110 S CA . 16341 1 484 . 1 1 110 110 SER CB C 13 63.994 0.024 . 1 . . . . 110 S CB . 16341 1 485 . 1 1 110 110 SER N N 15 115.816 0.038 . 1 . . . . 110 S N . 16341 1 486 . 1 1 111 111 GLY H H 1 8.405 0.004 . 1 . . . . 111 G H . 16341 1 487 . 1 1 111 111 GLY C C 13 174.640 0.024 . 1 . . . . 111 G C . 16341 1 488 . 1 1 111 111 GLY CA C 13 45.347 0.024 . 1 . . . . 111 G CA . 16341 1 489 . 1 1 111 111 GLY N N 15 110.690 0.038 . 1 . . . . 111 G N . 16341 1 490 . 1 1 112 112 GLY H H 1 8.150 0.004 . 1 . . . . 112 G H . 16341 1 491 . 1 1 112 112 GLY CA C 13 44.997 0.024 . 1 . . . . 112 G CA . 16341 1 492 . 1 1 112 112 GLY N N 15 108.257 0.038 . 1 . . . . 112 G N . 16341 1 493 . 1 1 113 113 TYR H H 1 8.097 0.004 . 1 . . . . 113 Y H . 16341 1 494 . 1 1 113 113 TYR CA C 13 58.235 0.024 . 1 . . . . 113 Y CA . 16341 1 495 . 1 1 113 113 TYR CB C 13 38.877 0.024 . 1 . . . . 113 Y CB . 16341 1 496 . 1 1 113 113 TYR N N 15 119.701 0.038 . 1 . . . . 113 Y N . 16341 1 497 . 1 1 114 114 SER H H 1 8.297 0.004 . 1 . . . . 114 S H . 16341 1 498 . 1 1 114 114 SER C C 13 176.189 0.024 . 1 . . . . 114 S C . 16341 1 499 . 1 1 114 114 SER CA C 13 58.241 0.024 . 1 . . . . 114 S CA . 16341 1 500 . 1 1 114 114 SER CB C 13 64.092 0.024 . 1 . . . . 114 S CB . 16341 1 501 . 1 1 114 114 SER N N 15 117.088 0.038 . 1 . . . . 114 S N . 16341 1 502 . 1 1 115 115 THR H H 1 8.205 0.004 . 1 . . . . 115 T H . 16341 1 503 . 1 1 115 115 THR C C 13 176.952 0.024 . 1 . . . . 115 T C . 16341 1 504 . 1 1 115 115 THR CA C 13 62.784 0.024 . 1 . . . . 115 T CA . 16341 1 505 . 1 1 115 115 THR CB C 13 69.443 0.024 . 1 . . . . 115 T CB . 16341 1 506 . 1 1 115 115 THR N N 15 116.114 0.038 . 1 . . . . 115 T N . 16341 1 507 . 1 1 116 116 LYS H H 1 8.154 0.004 . 1 . . . . 116 K H . 16341 1 508 . 1 1 116 116 LYS C C 13 176.724 0.024 . 1 . . . . 116 K C . 16341 1 509 . 1 1 116 116 LYS CA C 13 56.857 0.024 . 1 . . . . 116 K CA . 16341 1 510 . 1 1 116 116 LYS CB C 13 32.461 0.024 . 1 . . . . 116 K CB . 16341 1 511 . 1 1 116 116 LYS N N 15 122.761 0.038 . 1 . . . . 116 K N . 16341 1 512 . 1 1 117 117 ALA H H 1 8.142 0.004 . 1 . . . . 117 A H . 16341 1 513 . 1 1 117 117 ALA C C 13 177.601 0.024 . 1 . . . . 117 A C . 16341 1 514 . 1 1 117 117 ALA CA C 13 52.964 0.024 . 1 . . . . 117 A CA . 16341 1 515 . 1 1 117 117 ALA CB C 13 18.907 0.024 . 1 . . . . 117 A CB . 16341 1 516 . 1 1 117 117 ALA N N 15 124.243 0.038 . 1 . . . . 117 A N . 16341 1 517 . 1 1 118 118 LYS H H 1 8.235 0.004 . 1 . . . . 118 K H . 16341 1 518 . 1 1 118 118 LYS C C 13 176.793 0.024 . 1 . . . . 118 K C . 16341 1 519 . 1 1 118 118 LYS CA C 13 56.923 0.024 . 1 . . . . 118 K CA . 16341 1 520 . 1 1 118 118 LYS CB C 13 32.592 0.024 . 1 . . . . 118 K CB . 16341 1 521 . 1 1 118 118 LYS N N 15 119.809 0.038 . 1 . . . . 118 K N . 16341 1 522 . 1 1 119 119 ASN H H 1 8.309 0.004 . 1 . . . . 119 N H . 16341 1 523 . 1 1 119 119 ASN C C 13 174.229 0.024 . 1 . . . . 119 N C . 16341 1 524 . 1 1 119 119 ASN CA C 13 53.702 0.024 . 1 . . . . 119 N CA . 16341 1 525 . 1 1 119 119 ASN CB C 13 38.467 0.024 . 1 . . . . 119 N CB . 16341 1 526 . 1 1 119 119 ASN N N 15 119.056 0.038 . 1 . . . . 119 N N . 16341 1 527 . 1 1 120 120 ILE H H 1 8.040 0.004 . 1 . . . . 120 I H . 16341 1 528 . 1 1 120 120 ILE C C 13 176.644 0.024 . 1 . . . . 120 I C . 16341 1 529 . 1 1 120 120 ILE CA C 13 61.972 0.024 . 1 . . . . 120 I CA . 16341 1 530 . 1 1 120 120 ILE CB C 13 38.134 0.024 . 1 . . . . 120 I CB . 16341 1 531 . 1 1 120 120 ILE N N 15 121.029 0.038 . 1 . . . . 120 I N . 16341 1 532 . 1 1 121 121 MET H H 1 8.261 0.004 . 1 . . . . 121 M H . 16341 1 533 . 1 1 121 121 MET C C 13 176.483 0.024 . 1 . . . . 121 M C . 16341 1 534 . 1 1 121 121 MET CA C 13 55.995 0.024 . 1 . . . . 121 M CA . 16341 1 535 . 1 1 121 121 MET CB C 13 32.400 0.024 . 1 . . . . 121 M CB . 16341 1 536 . 1 1 121 121 MET N N 15 122.608 0.038 . 1 . . . . 121 M N . 16341 1 537 . 1 1 122 122 ALA H H 1 8.102 0.004 . 1 . . . . 122 A H . 16341 1 538 . 1 1 122 122 ALA CA C 13 53.019 0.024 . 1 . . . . 122 A CA . 16341 1 539 . 1 1 122 122 ALA CB C 13 18.873 0.024 . 1 . . . . 122 A CB . 16341 1 540 . 1 1 122 122 ALA N N 15 124.254 0.038 . 1 . . . . 122 A N . 16341 1 541 . 1 1 123 123 LYS H H 1 8.108 0.004 . 1 . . . . 123 K H . 16341 1 542 . 1 1 123 123 LYS C C 13 174.128 0.024 . 1 . . . . 123 K C . 16341 1 543 . 1 1 123 123 LYS CA C 13 56.589 0.024 . 1 . . . . 123 K CA . 16341 1 544 . 1 1 123 123 LYS CB C 13 32.403 0.024 . 1 . . . . 123 K CB . 16341 1 545 . 1 1 123 123 LYS N N 15 119.739 0.038 . 1 . . . . 123 K N . 16341 1 546 . 1 1 124 124 MET H H 1 8.214 0.004 . 1 . . . . 124 M H . 16341 1 547 . 1 1 124 124 MET C C 13 176.665 0.024 . 1 . . . . 124 M C . 16341 1 548 . 1 1 124 124 MET CA C 13 55.812 0.024 . 1 . . . . 124 M CA . 16341 1 549 . 1 1 124 124 MET CB C 13 32.542 0.024 . 1 . . . . 124 M CB . 16341 1 550 . 1 1 124 124 MET N N 15 120.630 0.038 . 1 . . . . 124 M N . 16341 1 551 . 1 1 125 125 GLY H H 1 8.307 0.004 . 1 . . . . 125 G H . 16341 1 552 . 1 1 125 125 GLY C C 13 173.797 0.024 . 1 . . . . 125 G C . 16341 1 553 . 1 1 125 125 GLY CA C 13 45.293 0.024 . 1 . . . . 125 G CA . 16341 1 554 . 1 1 125 125 GLY N N 15 109.480 0.038 . 1 . . . . 125 G N . 16341 1 555 . 1 1 126 126 TYR H H 1 7.993 0.004 . 1 . . . . 126 Y H . 16341 1 556 . 1 1 126 126 TYR C C 13 175.050 0.024 . 1 . . . . 126 Y C . 16341 1 557 . 1 1 126 126 TYR CA C 13 58.190 0.024 . 1 . . . . 126 Y CA . 16341 1 558 . 1 1 126 126 TYR CB C 13 38.781 0.024 . 1 . . . . 126 Y CB . 16341 1 559 . 1 1 126 126 TYR N N 15 120.318 0.038 . 1 . . . . 126 Y N . 16341 1 560 . 1 1 127 127 LYS H H 1 8.191 0.004 . 1 . . . . 127 K H . 16341 1 561 . 1 1 127 127 LYS C C 13 175.946 0.024 . 1 . . . . 127 K C . 16341 1 562 . 1 1 127 127 LYS CA C 13 56.091 0.024 . 1 . . . . 127 K CA . 16341 1 563 . 1 1 127 127 LYS CB C 13 32.862 0.024 . 1 . . . . 127 K CB . 16341 1 564 . 1 1 127 127 LYS N N 15 123.683 0.038 . 1 . . . . 127 K N . 16341 1 565 . 1 1 128 128 GLU H H 1 8.303 0.004 . 1 . . . . 128 E H . 16341 1 566 . 1 1 128 128 GLU C C 13 176.992 0.024 . 1 . . . . 128 E C . 16341 1 567 . 1 1 128 128 GLU CA C 13 56.724 0.024 . 1 . . . . 128 E CA . 16341 1 568 . 1 1 128 128 GLU CB C 13 29.857 0.024 . 1 . . . . 128 E CB . 16341 1 569 . 1 1 128 128 GLU N N 15 121.826 0.038 . 1 . . . . 128 E N . 16341 1 570 . 1 1 129 129 GLY H H 1 8.487 0.004 . 1 . . . . 129 G H . 16341 1 571 . 1 1 129 129 GLY C C 13 174.411 0.024 . 1 . . . . 129 G C . 16341 1 572 . 1 1 129 129 GLY CA C 13 45.347 0.024 . 1 . . . . 129 G CA . 16341 1 573 . 1 1 129 129 GLY N N 15 109.522 0.038 . 1 . . . . 129 G N . 16341 1 574 . 1 1 130 130 LYS H H 1 8.228 0.004 . 1 . . . . 130 K H . 16341 1 575 . 1 1 130 130 LYS CA C 13 56.134 0.024 . 1 . . . . 130 K CA . 16341 1 576 . 1 1 130 130 LYS CB C 13 32.736 0.024 . 1 . . . . 130 K CB . 16341 1 577 . 1 1 130 130 LYS N N 15 125.507 0.038 . 1 . . . . 130 K N . 16341 1 578 . 1 1 131 131 GLY C C 13 174.223 0.024 . 1 . . . . 131 G C . 16341 1 579 . 1 1 131 131 GLY CA C 13 45.362 0.024 . 1 . . . . 131 G CA . 16341 1 580 . 1 1 132 132 LEU H H 1 8.030 0.004 . 1 . . . . 132 L H . 16341 1 581 . 1 1 132 132 LEU C C 13 178.103 0.024 . 1 . . . . 132 L C . 16341 1 582 . 1 1 132 132 LEU CA C 13 55.369 0.024 . 1 . . . . 132 L CA . 16341 1 583 . 1 1 132 132 LEU CB C 13 41.978 0.024 . 1 . . . . 132 L CB . 16341 1 584 . 1 1 132 132 LEU N N 15 120.956 0.038 . 1 . . . . 132 L N . 16341 1 585 . 1 1 133 133 GLY H H 1 8.454 0.004 . 1 . . . . 133 G H . 16341 1 586 . 1 1 133 133 GLY C C 13 174.050 0.024 . 1 . . . . 133 G C . 16341 1 587 . 1 1 133 133 GLY CA C 13 45.265 0.024 . 1 . . . . 133 G CA . 16341 1 588 . 1 1 133 133 GLY N N 15 109.135 0.038 . 1 . . . . 133 G N . 16341 1 589 . 1 1 134 134 HIS H H 1 8.267 0.004 . 1 . . . . 134 H H . 16341 1 590 . 1 1 134 134 HIS C C 13 174.896 0.024 . 1 . . . . 134 H C . 16341 1 591 . 1 1 134 134 HIS CA C 13 56.002 0.024 . 1 . . . . 134 H CA . 16341 1 592 . 1 1 134 134 HIS CB C 13 29.611 0.024 . 1 . . . . 134 H CB . 16341 1 593 . 1 1 134 134 HIS N N 15 118.644 0.038 . 1 . . . . 134 H N . 16341 1 594 . 1 1 135 135 GLN H H 1 8.431 0.004 . 1 . . . . 135 Q H . 16341 1 595 . 1 1 135 135 GLN C C 13 176.542 0.024 . 1 . . . . 135 Q C . 16341 1 596 . 1 1 135 135 GLN CA C 13 56.643 0.024 . 1 . . . . 135 Q CA . 16341 1 597 . 1 1 135 135 GLN CB C 13 29.833 0.024 . 1 . . . . 135 Q CB . 16341 1 598 . 1 1 135 135 GLN N N 15 121.761 0.038 . 1 . . . . 135 Q N . 16341 1 599 . 1 1 136 136 GLU H H 1 8.468 0.004 . 1 . . . . 136 E H . 16341 1 600 . 1 1 136 136 GLU C C 13 175.854 0.024 . 1 . . . . 136 E C . 16341 1 601 . 1 1 136 136 GLU CA C 13 56.012 0.024 . 1 . . . . 136 E CA . 16341 1 602 . 1 1 136 136 GLU CB C 13 29.140 0.024 . 1 . . . . 136 E CB . 16341 1 603 . 1 1 136 136 GLU N N 15 121.484 0.038 . 1 . . . . 136 E N . 16341 1 604 . 1 1 137 137 GLN H H 1 8.563 0.004 . 1 . . . . 137 Q H . 16341 1 605 . 1 1 137 137 GLN C C 13 176.898 0.024 . 1 . . . . 137 Q C . 16341 1 606 . 1 1 137 137 GLN CA C 13 56.556 0.024 . 1 . . . . 137 Q CA . 16341 1 607 . 1 1 137 137 GLN CB C 13 29.696 0.024 . 1 . . . . 137 Q CB . 16341 1 608 . 1 1 137 137 GLN N N 15 122.422 0.038 . 1 . . . . 137 Q N . 16341 1 609 . 1 1 138 138 GLY H H 1 8.372 0.004 . 1 . . . . 138 G H . 16341 1 610 . 1 1 138 138 GLY C C 13 173.709 0.024 . 1 . . . . 138 G C . 16341 1 611 . 1 1 138 138 GLY CA C 13 45.375 0.024 . 1 . . . . 138 G CA . 16341 1 612 . 1 1 138 138 GLY N N 15 109.949 0.038 . 1 . . . . 138 G N . 16341 1 613 . 1 1 139 139 ARG H H 1 8.071 0.004 . 1 . . . . 139 R H . 16341 1 614 . 1 1 139 139 ARG C C 13 176.026 0.024 . 1 . . . . 139 R C . 16341 1 615 . 1 1 139 139 ARG CA C 13 55.937 0.024 . 1 . . . . 139 R CA . 16341 1 616 . 1 1 139 139 ARG CB C 13 30.588 0.024 . 1 . . . . 139 R CB . 16341 1 617 . 1 1 139 139 ARG N N 15 120.683 0.038 . 1 . . . . 139 R N . 16341 1 618 . 1 1 140 140 ILE H H 1 8.279 0.004 . 1 . . . . 140 I H . 16341 1 619 . 1 1 140 140 ILE C C 13 176.047 0.024 . 1 . . . . 140 I C . 16341 1 620 . 1 1 140 140 ILE CA C 13 60.897 0.024 . 1 . . . . 140 I CA . 16341 1 621 . 1 1 140 140 ILE CB C 13 38.373 0.024 . 1 . . . . 140 I CB . 16341 1 622 . 1 1 140 140 ILE N N 15 123.323 0.038 . 1 . . . . 140 I N . 16341 1 623 . 1 1 141 141 GLU H H 1 8.449 0.004 . 1 . . . . 141 E H . 16341 1 624 . 1 1 141 141 GLU CA C 13 54.144 0.024 . 1 . . . . 141 E CA . 16341 1 625 . 1 1 141 141 GLU CB C 13 29.480 0.024 . 1 . . . . 141 E CB . 16341 1 626 . 1 1 141 141 GLU N N 15 126.940 0.038 . 1 . . . . 141 E N . 16341 1 627 . 1 1 142 142 PRO C C 13 176.734 0.024 . 1 . . . . 142 P C . 16341 1 628 . 1 1 142 142 PRO CA C 13 62.952 0.024 . 1 . . . . 142 P CA . 16341 1 629 . 1 1 142 142 PRO CB C 13 31.791 0.024 . 1 . . . . 142 P CB . 16341 1 630 . 1 1 143 143 ILE H H 1 8.200 0.004 . 1 . . . . 143 I H . 16341 1 631 . 1 1 143 143 ILE C C 13 176.277 0.024 . 1 . . . . 143 I C . 16341 1 632 . 1 1 143 143 ILE CA C 13 61.122 0.024 . 1 . . . . 143 I CA . 16341 1 633 . 1 1 143 143 ILE CB C 13 38.600 0.024 . 1 . . . . 143 I CB . 16341 1 634 . 1 1 143 143 ILE N N 15 121.011 0.038 . 1 . . . . 143 I N . 16341 1 635 . 1 1 144 144 SER H H 1 8.418 0.004 . 1 . . . . 144 S H . 16341 1 636 . 1 1 144 144 SER CA C 13 56.276 0.024 . 1 . . . . 144 S CA . 16341 1 637 . 1 1 144 144 SER CB C 13 63.616 0.024 . 1 . . . . 144 S CB . 16341 1 638 . 1 1 144 144 SER N N 15 121.029 0.038 . 1 . . . . 144 S N . 16341 1 639 . 1 1 145 145 PRO C C 13 176.879 0.024 . 1 . . . . 145 P C . 16341 1 640 . 1 1 145 145 PRO CA C 13 63.630 0.024 . 1 . . . . 145 P CA . 16341 1 641 . 1 1 145 145 PRO CB C 13 31.670 0.024 . 1 . . . . 145 P CB . 16341 1 642 . 1 1 146 146 ASN H H 1 8.360 0.004 . 1 . . . . 146 N H . 16341 1 643 . 1 1 146 146 ASN C C 13 175.762 0.024 . 1 . . . . 146 N C . 16341 1 644 . 1 1 146 146 ASN CA C 13 53.347 0.024 . 1 . . . . 146 N CA . 16341 1 645 . 1 1 146 146 ASN CB C 13 38.877 0.024 . 1 . . . . 146 N CB . 16341 1 646 . 1 1 146 146 ASN N N 15 117.630 0.038 . 1 . . . . 146 N N . 16341 1 647 . 1 1 147 147 GLY H H 1 8.232 0.004 . 1 . . . . 147 G H . 16341 1 648 . 1 1 147 147 GLY C C 13 174.486 0.024 . 1 . . . . 147 G C . 16341 1 649 . 1 1 147 147 GLY CA C 13 45.511 0.024 . 1 . . . . 147 G CA . 16341 1 650 . 1 1 147 147 GLY N N 15 109.002 0.038 . 1 . . . . 147 G N . 16341 1 651 . 1 1 148 148 ASN H H 1 8.463 0.004 . 1 . . . . 148 N H . 16341 1 652 . 1 1 148 148 ASN CA C 13 53.683 0.024 . 1 . . . . 148 N CA . 16341 1 653 . 1 1 148 148 ASN CB C 13 38.800 0.024 . 1 . . . . 148 N CB . 16341 1 654 . 1 1 148 148 ASN N N 15 118.406 0.038 . 1 . . . . 148 N N . 16341 1 655 . 1 1 149 149 GLN C C 13 175.857 0.024 . 1 . . . . 149 Q C . 16341 1 656 . 1 1 149 149 GLN CA C 13 56.206 0.024 . 1 . . . . 149 Q CA . 16341 1 657 . 1 1 149 149 GLN CB C 13 28.923 0.024 . 1 . . . . 149 Q CB . 16341 1 658 . 1 1 150 150 ASP H H 1 8.339 0.004 . 1 . . . . 150 D H . 16341 1 659 . 1 1 150 150 ASP C C 13 176.415 0.024 . 1 . . . . 150 D C . 16341 1 660 . 1 1 150 150 ASP CA C 13 54.553 0.024 . 1 . . . . 150 D CA . 16341 1 661 . 1 1 150 150 ASP CB C 13 40.831 0.024 . 1 . . . . 150 D CB . 16341 1 662 . 1 1 150 150 ASP N N 15 120.875 0.038 . 1 . . . . 150 D N . 16341 1 663 . 1 1 151 151 ARG H H 1 8.202 0.004 . 1 . . . . 151 R H . 16341 1 664 . 1 1 151 151 ARG CA C 13 56.140 0.024 . 1 . . . . 151 R CA . 16341 1 665 . 1 1 151 151 ARG CB C 13 30.022 0.024 . 1 . . . . 151 R CB . 16341 1 666 . 1 1 151 151 ARG N N 15 120.890 0.038 . 1 . . . . 151 R N . 16341 1 667 . 1 1 152 152 GLN C C 13 177.151 0.024 . 1 . . . . 152 Q C . 16341 1 668 . 1 1 152 152 GLN CA C 13 56.241 0.024 . 1 . . . . 152 Q CA . 16341 1 669 . 1 1 152 152 GLN CB C 13 32.632 0.024 . 1 . . . . 152 Q CB . 16341 1 670 . 1 1 153 153 GLY H H 1 8.436 0.004 . 1 . . . . 153 G H . 16341 1 671 . 1 1 153 153 GLY C C 13 174.143 0.024 . 1 . . . . 153 G C . 16341 1 672 . 1 1 153 153 GLY CA C 13 45.265 0.024 . 1 . . . . 153 G CA . 16341 1 673 . 1 1 153 153 GLY N N 15 109.700 0.038 . 1 . . . . 153 G N . 16341 1 674 . 1 1 154 154 LEU H H 1 8.144 0.004 . 1 . . . . 154 L H . 16341 1 675 . 1 1 154 154 LEU C C 13 177.789 0.024 . 1 . . . . 154 L C . 16341 1 676 . 1 1 154 154 LEU CA C 13 55.381 0.024 . 1 . . . . 154 L CA . 16341 1 677 . 1 1 154 154 LEU CB C 13 41.976 0.024 . 1 . . . . 154 L CB . 16341 1 678 . 1 1 154 154 LEU N N 15 121.358 0.038 . 1 . . . . 154 L N . 16341 1 679 . 1 1 155 155 GLY H H 1 8.280 0.004 . 1 . . . . 155 G H . 16341 1 680 . 1 1 155 155 GLY C C 13 173.361 0.024 . 1 . . . . 155 G C . 16341 1 681 . 1 1 155 155 GLY CA C 13 45.074 0.024 . 1 . . . . 155 G CA . 16341 1 682 . 1 1 155 155 GLY N N 15 108.534 0.038 . 1 . . . . 155 G N . 16341 1 683 . 1 1 156 156 PHE H H 1 7.927 0.004 . 1 . . . . 156 F H . 16341 1 684 . 1 1 156 156 PHE CA C 13 55.650 0.024 . 1 . . . . 156 F CA . 16341 1 685 . 1 1 156 156 PHE CB C 13 38.736 0.024 . 1 . . . . 156 F CB . 16341 1 686 . 1 1 156 156 PHE N N 15 120.658 0.038 . 1 . . . . 156 F N . 16341 1 stop_ save_