data_26709 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26709 _Entry.Title ; Backbone Assignment of Human linear diubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-26 _Entry.Accession_date 2015-11-26 _Entry.Last_release_date 2016-01-14 _Entry.Original_release_date 2016-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _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 Jenny Halander . . . 26709 2 Ana Messias . C. . 26709 3 Arie Geerlof . . . 26709 4 Michael Sattler . . . 26709 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26709 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Sattler Group; HMGU' . 26709 2 . 'Sattler Group; TUM' . 26709 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26709 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 26709 '15N chemical shifts' 132 26709 '1H chemical shifts' 132 26709 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-01-14 . original BMRB . 26709 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26709 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26740240 _Citation.Full_citation . _Citation.Title ; Inhibition of Canonical NF-kB Signaling by a Small Molecule Targeting NEMO-Ubiquitin Interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 18934 _Citation.Page_last 18934 _Citation.Year 2016 _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 Michelle Vincendeau . . . 26709 1 2 Hadian Kamyar . . . 26709 1 3 Ana Messias . C. . 26709 1 4 Jara Brenke . K. . 26709 1 5 Jenny Halander . . . 26709 1 6 Richard Griesbach . . . 26709 1 7 Ute Greczmiel . . . 26709 1 8 Arianna Bertossi . . . 26709 1 9 Ralf Stehle . . . 26709 1 10 Daniel Nagel . . . 26709 1 11 Kathrin Demski . . . 26709 1 12 Hana Velvarska . . . 26709 1 13 Dierk Niessing . . . 26709 1 14 Arie Geerlof . . . 26709 1 15 Michael Sattler . . . 26709 1 16 Daniel Krappmann . . . 26709 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NEMO 26709 1 NMR 26709 1 'linear diubiquitin' 26709 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26709 _Assembly.ID 1 _Assembly.Name 'linear diubiquitin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 18220.8 _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 'linear diubiquitin' 1 $linear_diubiquitin A . yes native no no . . . 26709 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2W9N . . X-ray 2.25 . . 26709 1 yes PDB 3AXC . . X-ray 2.19 . . 26709 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'activation of NF-kappaB-inducing kinase activity' 26709 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_linear_diubiquitin _Entity.Sf_category entity _Entity.Sf_framecode linear_diubiquitin _Entity.Entry_ID 26709 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name linear_diubiquitin _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 ; MASHHHHHHGAQIFVKTLTG KTITLEVEPSDTIENVKAKI QDKEGIPPDQQRLIFAGKQL EDGRTLSDYNIQKESTLHLV LRLRGGMQIFVKTLTGKTIT LEVEPSDTIENVKAKIQDKE GIPPDQQRLIFAGKQLEDGR TLSDYNIQKESTLHLVLRLR GG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-11 are non-native residues part of the N-terminal affinity tag.' _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'tandem linear diubiquitin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18220.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UNIPROT P0CG47 . Polyubiquitin-B . . . . . . . . . . . . . . 26709 1 . yes PDB 2W9N . 'CRYSTAL STRUCTURE OF LINEAR DI-UBIQUITIN' . . . . . . . . . . . . . . 26709 1 . yes PDB 3AXC . 'CRYSTAL STRUCTURE OF LINEAR DI-UBIQUITIN' . . . . . . . . . . . . . . 26709 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'activation of NF-kappaB-inducing kinase activity' 26709 1 'inflammatory response' 26709 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26709 1 2 . ALA . 26709 1 3 . SER . 26709 1 4 . HIS . 26709 1 5 . HIS . 26709 1 6 . HIS . 26709 1 7 . HIS . 26709 1 8 . HIS . 26709 1 9 . HIS . 26709 1 10 . GLY . 26709 1 11 . ALA . 26709 1 12 . GLN . 26709 1 13 . ILE . 26709 1 14 . PHE . 26709 1 15 . VAL . 26709 1 16 . LYS . 26709 1 17 . THR . 26709 1 18 . LEU . 26709 1 19 . THR . 26709 1 20 . GLY . 26709 1 21 . LYS . 26709 1 22 . THR . 26709 1 23 . ILE . 26709 1 24 . THR . 26709 1 25 . LEU . 26709 1 26 . GLU . 26709 1 27 . VAL . 26709 1 28 . GLU . 26709 1 29 . PRO . 26709 1 30 . SER . 26709 1 31 . ASP . 26709 1 32 . THR . 26709 1 33 . ILE . 26709 1 34 . GLU . 26709 1 35 . ASN . 26709 1 36 . VAL . 26709 1 37 . LYS . 26709 1 38 . ALA . 26709 1 39 . LYS . 26709 1 40 . ILE . 26709 1 41 . GLN . 26709 1 42 . ASP . 26709 1 43 . LYS . 26709 1 44 . GLU . 26709 1 45 . GLY . 26709 1 46 . ILE . 26709 1 47 . PRO . 26709 1 48 . PRO . 26709 1 49 . ASP . 26709 1 50 . GLN . 26709 1 51 . GLN . 26709 1 52 . ARG . 26709 1 53 . LEU . 26709 1 54 . ILE . 26709 1 55 . PHE . 26709 1 56 . ALA . 26709 1 57 . GLY . 26709 1 58 . LYS . 26709 1 59 . GLN . 26709 1 60 . LEU . 26709 1 61 . GLU . 26709 1 62 . ASP . 26709 1 63 . GLY . 26709 1 64 . ARG . 26709 1 65 . THR . 26709 1 66 . LEU . 26709 1 67 . SER . 26709 1 68 . ASP . 26709 1 69 . TYR . 26709 1 70 . ASN . 26709 1 71 . ILE . 26709 1 72 . GLN . 26709 1 73 . LYS . 26709 1 74 . GLU . 26709 1 75 . SER . 26709 1 76 . THR . 26709 1 77 . LEU . 26709 1 78 . HIS . 26709 1 79 . LEU . 26709 1 80 . VAL . 26709 1 81 . LEU . 26709 1 82 . ARG . 26709 1 83 . LEU . 26709 1 84 . ARG . 26709 1 85 . GLY . 26709 1 86 . GLY . 26709 1 87 . MET . 26709 1 88 . GLN . 26709 1 89 . ILE . 26709 1 90 . PHE . 26709 1 91 . VAL . 26709 1 92 . LYS . 26709 1 93 . THR . 26709 1 94 . LEU . 26709 1 95 . THR . 26709 1 96 . GLY . 26709 1 97 . LYS . 26709 1 98 . THR . 26709 1 99 . ILE . 26709 1 100 . THR . 26709 1 101 . LEU . 26709 1 102 . GLU . 26709 1 103 . VAL . 26709 1 104 . GLU . 26709 1 105 . PRO . 26709 1 106 . SER . 26709 1 107 . ASP . 26709 1 108 . THR . 26709 1 109 . ILE . 26709 1 110 . GLU . 26709 1 111 . ASN . 26709 1 112 . VAL . 26709 1 113 . LYS . 26709 1 114 . ALA . 26709 1 115 . LYS . 26709 1 116 . ILE . 26709 1 117 . GLN . 26709 1 118 . ASP . 26709 1 119 . LYS . 26709 1 120 . GLU . 26709 1 121 . GLY . 26709 1 122 . ILE . 26709 1 123 . PRO . 26709 1 124 . PRO . 26709 1 125 . ASP . 26709 1 126 . GLN . 26709 1 127 . GLN . 26709 1 128 . ARG . 26709 1 129 . LEU . 26709 1 130 . ILE . 26709 1 131 . PHE . 26709 1 132 . ALA . 26709 1 133 . GLY . 26709 1 134 . LYS . 26709 1 135 . GLN . 26709 1 136 . LEU . 26709 1 137 . GLU . 26709 1 138 . ASP . 26709 1 139 . GLY . 26709 1 140 . ARG . 26709 1 141 . THR . 26709 1 142 . LEU . 26709 1 143 . SER . 26709 1 144 . ASP . 26709 1 145 . TYR . 26709 1 146 . ASN . 26709 1 147 . ILE . 26709 1 148 . GLN . 26709 1 149 . LYS . 26709 1 150 . GLU . 26709 1 151 . SER . 26709 1 152 . THR . 26709 1 153 . LEU . 26709 1 154 . HIS . 26709 1 155 . LEU . 26709 1 156 . VAL . 26709 1 157 . LEU . 26709 1 158 . ARG . 26709 1 159 . LEU . 26709 1 160 . ARG . 26709 1 161 . GLY . 26709 1 162 . GLY . 26709 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26709 1 . ALA 2 2 26709 1 . SER 3 3 26709 1 . HIS 4 4 26709 1 . HIS 5 5 26709 1 . HIS 6 6 26709 1 . HIS 7 7 26709 1 . HIS 8 8 26709 1 . HIS 9 9 26709 1 . GLY 10 10 26709 1 . ALA 11 11 26709 1 . GLN 12 12 26709 1 . ILE 13 13 26709 1 . PHE 14 14 26709 1 . VAL 15 15 26709 1 . LYS 16 16 26709 1 . THR 17 17 26709 1 . LEU 18 18 26709 1 . THR 19 19 26709 1 . GLY 20 20 26709 1 . LYS 21 21 26709 1 . THR 22 22 26709 1 . ILE 23 23 26709 1 . THR 24 24 26709 1 . LEU 25 25 26709 1 . GLU 26 26 26709 1 . VAL 27 27 26709 1 . GLU 28 28 26709 1 . PRO 29 29 26709 1 . SER 30 30 26709 1 . ASP 31 31 26709 1 . THR 32 32 26709 1 . ILE 33 33 26709 1 . GLU 34 34 26709 1 . ASN 35 35 26709 1 . VAL 36 36 26709 1 . LYS 37 37 26709 1 . ALA 38 38 26709 1 . LYS 39 39 26709 1 . ILE 40 40 26709 1 . GLN 41 41 26709 1 . ASP 42 42 26709 1 . LYS 43 43 26709 1 . GLU 44 44 26709 1 . GLY 45 45 26709 1 . ILE 46 46 26709 1 . PRO 47 47 26709 1 . PRO 48 48 26709 1 . ASP 49 49 26709 1 . GLN 50 50 26709 1 . GLN 51 51 26709 1 . ARG 52 52 26709 1 . LEU 53 53 26709 1 . ILE 54 54 26709 1 . PHE 55 55 26709 1 . ALA 56 56 26709 1 . GLY 57 57 26709 1 . LYS 58 58 26709 1 . GLN 59 59 26709 1 . LEU 60 60 26709 1 . GLU 61 61 26709 1 . ASP 62 62 26709 1 . GLY 63 63 26709 1 . ARG 64 64 26709 1 . THR 65 65 26709 1 . LEU 66 66 26709 1 . SER 67 67 26709 1 . ASP 68 68 26709 1 . TYR 69 69 26709 1 . ASN 70 70 26709 1 . ILE 71 71 26709 1 . GLN 72 72 26709 1 . LYS 73 73 26709 1 . GLU 74 74 26709 1 . SER 75 75 26709 1 . THR 76 76 26709 1 . LEU 77 77 26709 1 . HIS 78 78 26709 1 . LEU 79 79 26709 1 . VAL 80 80 26709 1 . LEU 81 81 26709 1 . ARG 82 82 26709 1 . LEU 83 83 26709 1 . ARG 84 84 26709 1 . GLY 85 85 26709 1 . GLY 86 86 26709 1 . MET 87 87 26709 1 . GLN 88 88 26709 1 . ILE 89 89 26709 1 . PHE 90 90 26709 1 . VAL 91 91 26709 1 . LYS 92 92 26709 1 . THR 93 93 26709 1 . LEU 94 94 26709 1 . THR 95 95 26709 1 . GLY 96 96 26709 1 . LYS 97 97 26709 1 . THR 98 98 26709 1 . ILE 99 99 26709 1 . THR 100 100 26709 1 . LEU 101 101 26709 1 . GLU 102 102 26709 1 . VAL 103 103 26709 1 . GLU 104 104 26709 1 . PRO 105 105 26709 1 . SER 106 106 26709 1 . ASP 107 107 26709 1 . THR 108 108 26709 1 . ILE 109 109 26709 1 . GLU 110 110 26709 1 . ASN 111 111 26709 1 . VAL 112 112 26709 1 . LYS 113 113 26709 1 . ALA 114 114 26709 1 . LYS 115 115 26709 1 . ILE 116 116 26709 1 . GLN 117 117 26709 1 . ASP 118 118 26709 1 . LYS 119 119 26709 1 . GLU 120 120 26709 1 . GLY 121 121 26709 1 . ILE 122 122 26709 1 . PRO 123 123 26709 1 . PRO 124 124 26709 1 . ASP 125 125 26709 1 . GLN 126 126 26709 1 . GLN 127 127 26709 1 . ARG 128 128 26709 1 . LEU 129 129 26709 1 . ILE 130 130 26709 1 . PHE 131 131 26709 1 . ALA 132 132 26709 1 . GLY 133 133 26709 1 . LYS 134 134 26709 1 . GLN 135 135 26709 1 . LEU 136 136 26709 1 . GLU 137 137 26709 1 . ASP 138 138 26709 1 . GLY 139 139 26709 1 . ARG 140 140 26709 1 . THR 141 141 26709 1 . LEU 142 142 26709 1 . SER 143 143 26709 1 . ASP 144 144 26709 1 . TYR 145 145 26709 1 . ASN 146 146 26709 1 . ILE 147 147 26709 1 . GLN 148 148 26709 1 . LYS 149 149 26709 1 . GLU 150 150 26709 1 . SER 151 151 26709 1 . THR 152 152 26709 1 . LEU 153 153 26709 1 . HIS 154 154 26709 1 . LEU 155 155 26709 1 . VAL 156 156 26709 1 . LEU 157 157 26709 1 . ARG 158 158 26709 1 . LEU 159 159 26709 1 . ARG 160 160 26709 1 . GLY 161 161 26709 1 . GLY 162 162 26709 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 26709 _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 $linear_diubiquitin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26709 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 26709 _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 $linear_diubiquitin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pASK-IBA-3plus . . . 26709 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26709 _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 'linear diubiquitin' '[U-100% 13C; U-100% 15N]' . . 1 $linear_diubiquitin . . 0.9 . . mM . . . . 26709 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26709 1 3 Tris-HCl [U-2H] . . . . . . 20 . . mM . . . . 26709 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26709 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 26709 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM deuterated Tis-HCl pH 7.5, 50mM NaCl and 10% D2O' 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' 0.07 . M 26709 1 pH 7.5 . pH 26709 1 pressure 1 . atm 26709 1 temperature 298 . K 26709 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26709 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26709 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26709 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26709 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26709 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26709 2 'peak picking' 26709 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26709 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AV III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26709 _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 'AV III' . 800 . . . 26709 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 26709 _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 . . . . . . . . . . . . . . . . 26709 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26709 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26709 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26709 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 26709 _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 protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26709 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26709 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26709 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 26709 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 26709 1 2 '3D HNCACB' . . . 26709 1 3 '3D 1H-15N NOESY' . . . 26709 1 4 '3D 1H-15N TOCSY' . . . 26709 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 2 $CARA . . 26709 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 10 10 GLY H H 1 8.321 0.020 . 1 . . . . 10 GLY H . 26709 1 2 . 1 1 10 10 GLY CA C 13 44.901 0.3 . 1 . . . . 10 GLY CA . 26709 1 3 . 1 1 10 10 GLY N N 15 109.919 0.3 . 1 . . . . 10 GLY N . 26709 1 4 . 1 1 11 11 ALA H H 1 8.537 0.020 . 1 . . . . 11 ALA H . 26709 1 5 . 1 1 11 11 ALA CA C 13 51.295 0.3 . 1 . . . . 11 ALA CA . 26709 1 6 . 1 1 11 11 ALA CB C 13 20.146 0.3 . 1 . . . . 11 ALA CB . 26709 1 7 . 1 1 11 11 ALA N N 15 123.877 0.3 . 1 . . . . 11 ALA N . 26709 1 8 . 1 1 12 12 GLN H H 1 8.012 0.020 . 1 . . . . 12 GLN H . 26709 1 9 . 1 1 12 12 GLN CA C 13 54.082 0.3 . 1 . . . . 12 GLN CA . 26709 1 10 . 1 1 12 12 GLN CB C 13 30.884 0.3 . 1 . . . . 12 GLN CB . 26709 1 11 . 1 1 12 12 GLN N N 15 118.420 0.3 . 1 . . . . 12 GLN N . 26709 1 12 . 1 1 13 13 ILE H H 1 8.312 0.020 . 1 . . . . 13 ILE H . 26709 1 13 . 1 1 13 13 ILE CA C 13 59.246 0.3 . 1 . . . . 13 ILE CA . 26709 1 14 . 1 1 13 13 ILE CB C 13 41.458 0.3 . 1 . . . . 13 ILE CB . 26709 1 15 . 1 1 13 13 ILE N N 15 114.130 0.3 . 1 . . . . 13 ILE N . 26709 1 16 . 1 1 14 14 PHE H H 1 8.469 0.020 . 1 . . . . 14 PHE H . 26709 1 17 . 1 1 14 14 PHE CA C 13 54.902 0.3 . 1 . . . . 14 PHE CA . 26709 1 18 . 1 1 14 14 PHE CB C 13 40.803 0.3 . 1 . . . . 14 PHE CB . 26709 1 19 . 1 1 14 14 PHE N N 15 118.873 0.3 . 1 . . . . 14 PHE N . 26709 1 20 . 1 1 15 15 VAL H H 1 9.301 0.020 . 1 . . . . 15 VAL H . 26709 1 21 . 1 1 15 15 VAL CA C 13 60.312 0.3 . 1 . . . . 15 VAL CA . 26709 1 22 . 1 1 15 15 VAL CB C 13 33.753 0.3 . 1 . . . . 15 VAL CB . 26709 1 23 . 1 1 15 15 VAL N N 15 121.563 0.3 . 1 . . . . 15 VAL N . 26709 1 24 . 1 1 16 16 LYS H H 1 8.970 0.020 . 1 . . . . 16 LYS H . 26709 1 25 . 1 1 16 16 LYS CA C 13 54.328 0.3 . 1 . . . . 16 LYS CA . 26709 1 26 . 1 1 16 16 LYS CB C 13 33.835 0.3 . 1 . . . . 16 LYS CB . 26709 1 27 . 1 1 16 16 LYS N N 15 127.920 0.3 . 1 . . . . 16 LYS N . 26709 1 28 . 1 1 17 17 THR H H 1 8.723 0.020 . 1 . . . . 17 THR H . 26709 1 29 . 1 1 17 17 THR CA C 13 60.312 0.3 . 1 . . . . 17 THR CA . 26709 1 30 . 1 1 17 17 THR CB C 13 70.230 0.3 . 1 . . . . 17 THR CB . 26709 1 31 . 1 1 17 17 THR N N 15 115.402 0.3 . 1 . . . . 17 THR N . 26709 1 32 . 1 1 18 18 LEU H H 1 9.133 0.020 . 1 . . . . 18 LEU H . 26709 1 33 . 1 1 18 18 LEU CA C 13 57.361 0.3 . 1 . . . . 18 LEU CA . 26709 1 34 . 1 1 18 18 LEU CB C 13 41.458 0.3 . 1 . . . . 18 LEU CB . 26709 1 35 . 1 1 18 18 LEU N N 15 121.356 0.3 . 1 . . . . 18 LEU N . 26709 1 36 . 1 1 20 20 GLY H H 1 7.818 0.020 . 1 . . . . 20 GLY H . 26709 1 37 . 1 1 20 20 GLY CA C 13 45.065 0.3 . 1 . . . . 20 GLY CA . 26709 1 38 . 1 1 20 20 GLY N N 15 109.258 0.3 . 1 . . . . 20 GLY N . 26709 1 39 . 1 1 21 21 LYS H H 1 7.260 0.020 . 1 . . . . 21 LYS H . 26709 1 40 . 1 1 21 21 LYS CA C 13 56.131 0.3 . 1 . . . . 21 LYS CA . 26709 1 41 . 1 1 21 21 LYS CB C 13 33.015 0.3 . 1 . . . . 21 LYS CB . 26709 1 42 . 1 1 21 21 LYS N N 15 121.903 0.3 . 1 . . . . 21 LYS N . 26709 1 43 . 1 1 22 22 THR H H 1 8.619 0.020 . 1 . . . . 22 THR H . 26709 1 44 . 1 1 22 22 THR CA C 13 62.115 0.3 . 1 . . . . 22 THR CA . 26709 1 45 . 1 1 22 22 THR CB C 13 69.574 0.3 . 1 . . . . 22 THR CB . 26709 1 46 . 1 1 22 22 THR N N 15 120.564 0.3 . 1 . . . . 22 THR N . 26709 1 47 . 1 1 23 23 ILE H H 1 9.545 0.020 . 1 . . . . 23 ILE H . 26709 1 48 . 1 1 23 23 ILE CA C 13 59.868 0.3 . 1 . . . . 23 ILE CA . 26709 1 49 . 1 1 23 23 ILE CB C 13 40.402 0.3 . 1 . . . . 23 ILE CB . 26709 1 50 . 1 1 23 23 ILE N N 15 127.773 0.3 . 1 . . . . 23 ILE N . 26709 1 51 . 1 1 24 24 THR H H 1 8.746 0.020 . 1 . . . . 24 THR H . 26709 1 52 . 1 1 24 24 THR CA C 13 61.869 0.3 . 1 . . . . 24 THR CA . 26709 1 53 . 1 1 24 24 THR CB C 13 69.328 0.3 . 1 . . . . 24 THR CB . 26709 1 54 . 1 1 24 24 THR N N 15 121.969 0.3 . 1 . . . . 24 THR N . 26709 1 55 . 1 1 25 25 LEU H H 1 8.801 0.020 . 1 . . . . 25 LEU H . 26709 1 56 . 1 1 25 25 LEU CA C 13 52.442 0.3 . 1 . . . . 25 LEU CA . 26709 1 57 . 1 1 25 25 LEU CB C 13 46.213 0.3 . 1 . . . . 25 LEU CB . 26709 1 58 . 1 1 25 25 LEU N N 15 125.354 0.3 . 1 . . . . 25 LEU N . 26709 1 59 . 1 1 26 26 GLU H H 1 8.157 0.020 . 1 . . . . 26 GLU H . 26709 1 60 . 1 1 26 26 GLU CA C 13 55.475 0.3 . 1 . . . . 26 GLU CA . 26709 1 61 . 1 1 26 26 GLU CB C 13 29.573 0.3 . 1 . . . . 26 GLU CB . 26709 1 62 . 1 1 26 26 GLU N N 15 122.065 0.3 . 1 . . . . 26 GLU N . 26709 1 63 . 1 1 27 27 VAL H H 1 8.410 0.020 . 1 . . . . 27 VAL H . 26709 1 64 . 1 1 27 27 VAL CA C 13 58.754 0.3 . 1 . . . . 27 VAL CA . 26709 1 65 . 1 1 27 27 VAL CB C 13 36.048 0.3 . 1 . . . . 27 VAL CB . 26709 1 66 . 1 1 27 27 VAL N N 15 115.901 0.3 . 1 . . . . 27 VAL N . 26709 1 67 . 1 1 28 28 GLU H H 1 8.481 0.020 . 1 . . . . 28 GLU H . 26709 1 68 . 1 1 28 28 GLU CA C 13 53.180 0.3 . 1 . . . . 28 GLU CA . 26709 1 69 . 1 1 28 28 GLU CB C 13 30.884 0.3 . 1 . . . . 28 GLU CB . 26709 1 70 . 1 1 28 28 GLU N N 15 119.805 0.3 . 1 . . . . 28 GLU N . 26709 1 71 . 1 1 30 30 SER H H 1 7.086 0.020 . 1 . . . . 30 SER H . 26709 1 72 . 1 1 30 30 SER CA C 13 57.115 0.3 . 1 . . . . 30 SER CA . 26709 1 73 . 1 1 30 30 SER CB C 13 63.181 0.3 . 1 . . . . 30 SER CB . 26709 1 74 . 1 1 30 30 SER N N 15 103.720 0.3 . 1 . . . . 30 SER N . 26709 1 75 . 1 1 31 31 ASP H H 1 8.020 0.020 . 1 . . . . 31 ASP H . 26709 1 76 . 1 1 31 31 ASP CA C 13 55.721 0.3 . 1 . . . . 31 ASP CA . 26709 1 77 . 1 1 31 31 ASP CB C 13 40.557 0.3 . 1 . . . . 31 ASP CB . 26709 1 78 . 1 1 31 31 ASP N N 15 123.870 0.3 . 1 . . . . 31 ASP N . 26709 1 79 . 1 1 32 32 THR H H 1 7.839 0.020 . 1 . . . . 32 THR H . 26709 1 80 . 1 1 32 32 THR CA C 13 59.328 0.3 . 1 . . . . 32 THR CA . 26709 1 81 . 1 1 32 32 THR CB C 13 70.804 0.3 . 1 . . . . 32 THR CB . 26709 1 82 . 1 1 32 32 THR N N 15 109.168 0.3 . 1 . . . . 32 THR N . 26709 1 83 . 1 1 33 33 ILE H H 1 8.505 0.020 . 1 . . . . 33 ILE H . 26709 1 84 . 1 1 33 33 ILE CA C 13 62.033 0.3 . 1 . . . . 33 ILE CA . 26709 1 85 . 1 1 33 33 ILE CB C 13 34.245 0.3 . 1 . . . . 33 ILE CB . 26709 1 86 . 1 1 33 33 ILE N N 15 121.305 0.3 . 1 . . . . 33 ILE N . 26709 1 87 . 1 1 35 35 ASN H H 1 7.931 0.020 . 1 . . . . 35 ASN H . 26709 1 88 . 1 1 35 35 ASN CA C 13 55.721 0.3 . 1 . . . . 35 ASN CA . 26709 1 89 . 1 1 35 35 ASN CB C 13 38.098 0.3 . 1 . . . . 35 ASN CB . 26709 1 90 . 1 1 35 35 ASN N N 15 121.377 0.3 . 1 . . . . 35 ASN N . 26709 1 91 . 1 1 36 36 VAL H H 1 8.108 0.020 . 1 . . . . 36 VAL H . 26709 1 92 . 1 1 36 36 VAL CA C 13 67.443 0.3 . 1 . . . . 36 VAL CA . 26709 1 93 . 1 1 36 36 VAL CB C 13 30.392 0.3 . 1 . . . . 36 VAL CB . 26709 1 94 . 1 1 36 36 VAL N N 15 122.199 0.3 . 1 . . . . 36 VAL N . 26709 1 95 . 1 1 37 37 LYS H H 1 8.550 0.020 . 1 . . . . 37 LYS H . 26709 1 96 . 1 1 37 37 LYS CA C 13 58.918 0.3 . 1 . . . . 37 LYS CA . 26709 1 97 . 1 1 37 37 LYS CB C 13 33.261 0.3 . 1 . . . . 37 LYS CB . 26709 1 98 . 1 1 37 37 LYS N N 15 119.056 0.3 . 1 . . . . 37 LYS N . 26709 1 99 . 1 1 38 38 ALA H H 1 7.984 0.020 . 1 . . . . 38 ALA H . 26709 1 100 . 1 1 38 38 ALA CA C 13 55.147 0.3 . 1 . . . . 38 ALA CA . 26709 1 101 . 1 1 38 38 ALA CB C 13 17.277 0.3 . 1 . . . . 38 ALA CB . 26709 1 102 . 1 1 38 38 ALA N N 15 123.538 0.3 . 1 . . . . 38 ALA N . 26709 1 103 . 1 1 39 39 LYS H H 1 7.937 0.020 . 1 . . . . 39 LYS H . 26709 1 104 . 1 1 39 39 LYS CA C 13 59.492 0.3 . 1 . . . . 39 LYS CA . 26709 1 105 . 1 1 39 39 LYS CB C 13 33.097 0.3 . 1 . . . . 39 LYS CB . 26709 1 106 . 1 1 39 39 LYS N N 15 120.414 0.3 . 1 . . . . 39 LYS N . 26709 1 107 . 1 1 40 40 ILE H H 1 8.281 0.020 . 1 . . . . 40 ILE H . 26709 1 108 . 1 1 40 40 ILE CA C 13 65.968 0.3 . 1 . . . . 40 ILE CA . 26709 1 109 . 1 1 40 40 ILE CB C 13 36.458 0.3 . 1 . . . . 40 ILE CB . 26709 1 110 . 1 1 40 40 ILE N N 15 121.324 0.3 . 1 . . . . 40 ILE N . 26709 1 111 . 1 1 41 41 GLN H H 1 8.536 0.020 . 1 . . . . 41 GLN H . 26709 1 112 . 1 1 41 41 GLN CA C 13 59.820 0.3 . 1 . . . . 41 GLN CA . 26709 1 113 . 1 1 41 41 GLN CB C 13 27.441 0.3 . 1 . . . . 41 GLN CB . 26709 1 114 . 1 1 41 41 GLN N N 15 123.554 0.3 . 1 . . . . 41 GLN N . 26709 1 115 . 1 1 42 42 ASP H H 1 8.021 0.020 . 1 . . . . 42 ASP H . 26709 1 116 . 1 1 42 42 ASP CA C 13 57.279 0.3 . 1 . . . . 42 ASP CA . 26709 1 117 . 1 1 42 42 ASP CB C 13 40.721 0.3 . 1 . . . . 42 ASP CB . 26709 1 118 . 1 1 42 42 ASP N N 15 119.811 0.3 . 1 . . . . 42 ASP N . 26709 1 119 . 1 1 43 43 LYS H H 1 7.441 0.020 . 1 . . . . 43 LYS H . 26709 1 120 . 1 1 43 43 LYS CA C 13 57.853 0.3 . 1 . . . . 43 LYS CA . 26709 1 121 . 1 1 43 43 LYS CB C 13 33.589 0.3 . 1 . . . . 43 LYS CB . 26709 1 122 . 1 1 43 43 LYS N N 15 115.525 0.3 . 1 . . . . 43 LYS N . 26709 1 123 . 1 1 44 44 GLU H H 1 8.710 0.020 . 1 . . . . 44 GLU H . 26709 1 124 . 1 1 44 44 GLU CA C 13 54.984 0.3 . 1 . . . . 44 GLU CA . 26709 1 125 . 1 1 44 44 GLU CB C 13 33.097 0.3 . 1 . . . . 44 GLU CB . 26709 1 126 . 1 1 44 44 GLU N N 15 114.348 0.3 . 1 . . . . 44 GLU N . 26709 1 127 . 1 1 45 45 GLY H H 1 8.485 0.020 . 1 . . . . 45 GLY H . 26709 1 128 . 1 1 45 45 GLY CA C 13 45.721 0.3 . 1 . . . . 45 GLY CA . 26709 1 129 . 1 1 45 45 GLY N N 15 108.904 0.3 . 1 . . . . 45 GLY N . 26709 1 130 . 1 1 46 46 ILE H H 1 6.141 0.020 . 1 . . . . 46 ILE H . 26709 1 131 . 1 1 46 46 ILE CA C 13 57.689 0.3 . 1 . . . . 46 ILE CA . 26709 1 132 . 1 1 46 46 ILE CB C 13 40.065 0.3 . 1 . . . . 46 ILE CB . 26709 1 133 . 1 1 46 46 ILE N N 15 120.392 0.3 . 1 . . . . 46 ILE N . 26709 1 134 . 1 1 49 49 ASP H H 1 8.518 0.020 . 1 . . . . 49 ASP H . 26709 1 135 . 1 1 49 49 ASP CA C 13 55.557 0.3 . 1 . . . . 49 ASP CA . 26709 1 136 . 1 1 49 49 ASP CB C 13 39.491 0.3 . 1 . . . . 49 ASP CB . 26709 1 137 . 1 1 49 49 ASP N N 15 113.665 0.3 . 1 . . . . 49 ASP N . 26709 1 138 . 1 1 50 50 GLN H H 1 7.802 0.020 . 1 . . . . 50 GLN H . 26709 1 139 . 1 1 50 50 GLN CA C 13 55.311 0.3 . 1 . . . . 50 GLN CA . 26709 1 140 . 1 1 50 50 GLN CB C 13 29.736 0.3 . 1 . . . . 50 GLN CB . 26709 1 141 . 1 1 50 50 GLN N N 15 116.861 0.3 . 1 . . . . 50 GLN N . 26709 1 142 . 1 1 51 51 GLN H H 1 7.471 0.020 . 1 . . . . 51 GLN H . 26709 1 143 . 1 1 51 51 GLN CA C 13 56.377 0.3 . 1 . . . . 51 GLN CA . 26709 1 144 . 1 1 51 51 GLN CB C 13 31.048 0.3 . 1 . . . . 51 GLN CB . 26709 1 145 . 1 1 51 51 GLN N N 15 118.052 0.3 . 1 . . . . 51 GLN N . 26709 1 146 . 1 1 52 52 ARG H H 1 8.477 0.020 . 1 . . . . 52 ARG H . 26709 1 147 . 1 1 52 52 ARG CA C 13 54.902 0.3 . 1 . . . . 52 ARG CA . 26709 1 148 . 1 1 52 52 ARG CB C 13 31.294 0.3 . 1 . . . . 52 ARG CB . 26709 1 149 . 1 1 52 52 ARG N N 15 123.091 0.3 . 1 . . . . 52 ARG N . 26709 1 150 . 1 1 53 53 LEU H H 1 8.789 0.020 . 1 . . . . 53 LEU H . 26709 1 151 . 1 1 53 53 LEU CA C 13 52.770 0.3 . 1 . . . . 53 LEU CA . 26709 1 152 . 1 1 53 53 LEU CB C 13 45.311 0.3 . 1 . . . . 53 LEU CB . 26709 1 153 . 1 1 53 53 LEU N N 15 124.451 0.3 . 1 . . . . 53 LEU N . 26709 1 154 . 1 1 54 54 ILE H H 1 9.125 0.020 . 1 . . . . 54 ILE H . 26709 1 155 . 1 1 54 54 ILE CA C 13 58.754 0.3 . 1 . . . . 54 ILE CA . 26709 1 156 . 1 1 54 54 ILE CB C 13 40.721 0.3 . 1 . . . . 54 ILE CB . 26709 1 157 . 1 1 54 54 ILE N N 15 122.418 0.3 . 1 . . . . 54 ILE N . 26709 1 158 . 1 1 55 55 PHE H H 1 8.829 0.020 . 1 . . . . 55 PHE H . 26709 1 159 . 1 1 55 55 PHE CA C 13 56.213 0.3 . 1 . . . . 55 PHE CA . 26709 1 160 . 1 1 55 55 PHE CB C 13 43.344 0.3 . 1 . . . . 55 PHE CB . 26709 1 161 . 1 1 55 55 PHE N N 15 124.873 0.3 . 1 . . . . 55 PHE N . 26709 1 162 . 1 1 56 56 ALA H H 1 9.010 0.020 . 1 . . . . 56 ALA H . 26709 1 163 . 1 1 56 56 ALA CA C 13 52.278 0.3 . 1 . . . . 56 ALA CA . 26709 1 164 . 1 1 56 56 ALA CB C 13 16.129 0.3 . 1 . . . . 56 ALA CB . 26709 1 165 . 1 1 56 56 ALA N N 15 133.028 0.3 . 1 . . . . 56 ALA N . 26709 1 166 . 1 1 57 57 GLY H H 1 8.083 0.020 . 1 . . . . 57 GLY H . 26709 1 167 . 1 1 57 57 GLY CA C 13 45.065 0.3 . 1 . . . . 57 GLY CA . 26709 1 168 . 1 1 57 57 GLY N N 15 102.487 0.3 . 1 . . . . 57 GLY N . 26709 1 169 . 1 1 58 58 LYS H H 1 7.952 0.020 . 1 . . . . 58 LYS H . 26709 1 170 . 1 1 58 58 LYS CA C 13 54.410 0.3 . 1 . . . . 58 LYS CA . 26709 1 171 . 1 1 58 58 LYS CB C 13 33.999 0.3 . 1 . . . . 58 LYS CB . 26709 1 172 . 1 1 58 58 LYS N N 15 122.006 0.3 . 1 . . . . 58 LYS N . 26709 1 173 . 1 1 59 59 GLN H H 1 8.641 0.020 . 1 . . . . 59 GLN H . 26709 1 174 . 1 1 59 59 GLN CA C 13 55.885 0.3 . 1 . . . . 59 GLN CA . 26709 1 175 . 1 1 59 59 GLN CB C 13 28.835 0.3 . 1 . . . . 59 GLN CB . 26709 1 176 . 1 1 59 59 GLN N N 15 123.188 0.3 . 1 . . . . 59 GLN N . 26709 1 177 . 1 1 60 60 LEU H H 1 8.544 0.020 . 1 . . . . 60 LEU H . 26709 1 178 . 1 1 60 60 LEU CA C 13 53.918 0.3 . 1 . . . . 60 LEU CA . 26709 1 179 . 1 1 60 60 LEU CB C 13 41.130 0.3 . 1 . . . . 60 LEU CB . 26709 1 180 . 1 1 60 60 LEU N N 15 125.731 0.3 . 1 . . . . 60 LEU N . 26709 1 181 . 1 1 61 61 GLU H H 1 8.403 0.020 . 1 . . . . 61 GLU H . 26709 1 182 . 1 1 61 61 GLU CA C 13 55.721 0.3 . 1 . . . . 61 GLU CA . 26709 1 183 . 1 1 61 61 GLU CB C 13 31.540 0.3 . 1 . . . . 61 GLU CB . 26709 1 184 . 1 1 61 61 GLU N N 15 123.070 0.3 . 1 . . . . 61 GLU N . 26709 1 185 . 1 1 62 62 ASP H H 1 8.159 0.020 . 1 . . . . 62 ASP H . 26709 1 186 . 1 1 62 62 ASP CA C 13 56.148 0.3 . 1 . . . . 62 ASP CA . 26709 1 187 . 1 1 62 62 ASP CB C 13 40.311 0.3 . 1 . . . . 62 ASP CB . 26709 1 188 . 1 1 62 62 ASP N N 15 120.350 0.3 . 1 . . . . 62 ASP N . 26709 1 189 . 1 1 63 63 GLY H H 1 7.825 0.020 . 1 . . . . 63 GLY H . 26709 1 190 . 1 1 63 63 GLY CA C 13 45.094 0.3 . 1 . . . . 63 GLY CA . 26709 1 191 . 1 1 63 63 GLY N N 15 109.220 0.3 . 1 . . . . 63 GLY N . 26709 1 192 . 1 1 64 64 ARG H H 1 7.409 0.020 . 1 . . . . 64 ARG H . 26709 1 193 . 1 1 64 64 ARG CA C 13 54.000 0.3 . 1 . . . . 64 ARG CA . 26709 1 194 . 1 1 64 64 ARG CB C 13 32.442 0.3 . 1 . . . . 64 ARG CB . 26709 1 195 . 1 1 64 64 ARG N N 15 119.214 0.3 . 1 . . . . 64 ARG N . 26709 1 196 . 1 1 65 65 THR H H 1 8.827 0.020 . 1 . . . . 65 THR H . 26709 1 197 . 1 1 65 65 THR CA C 13 59.328 0.3 . 1 . . . . 65 THR CA . 26709 1 198 . 1 1 65 65 THR CB C 13 72.034 0.3 . 1 . . . . 65 THR CB . 26709 1 199 . 1 1 65 65 THR N N 15 108.897 0.3 . 1 . . . . 65 THR N . 26709 1 200 . 1 1 66 66 LEU H H 1 8.194 0.020 . 1 . . . . 66 LEU H . 26709 1 201 . 1 1 66 66 LEU CA C 13 58.590 0.3 . 1 . . . . 66 LEU CA . 26709 1 202 . 1 1 66 66 LEU CB C 13 40.065 0.3 . 1 . . . . 66 LEU CB . 26709 1 203 . 1 1 66 66 LEU N N 15 118.130 0.3 . 1 . . . . 66 LEU N . 26709 1 204 . 1 1 67 67 SER H H 1 8.372 0.020 . 1 . . . . 67 SER H . 26709 1 205 . 1 1 67 67 SER CA C 13 60.803 0.3 . 1 . . . . 67 SER CA . 26709 1 206 . 1 1 67 67 SER CB C 13 62.279 0.3 . 1 . . . . 67 SER CB . 26709 1 207 . 1 1 67 67 SER N N 15 113.159 0.3 . 1 . . . . 67 SER N . 26709 1 208 . 1 1 68 68 ASP H H 1 7.941 0.020 . 1 . . . . 68 ASP H . 26709 1 209 . 1 1 68 68 ASP CA C 13 57.197 0.3 . 1 . . . . 68 ASP CA . 26709 1 210 . 1 1 68 68 ASP CB C 13 39.901 0.3 . 1 . . . . 68 ASP CB . 26709 1 211 . 1 1 68 68 ASP N N 15 124.539 0.3 . 1 . . . . 68 ASP N . 26709 1 212 . 1 1 69 69 TYR H H 1 7.246 0.020 . 1 . . . . 69 TYR H . 26709 1 213 . 1 1 69 69 TYR CA C 13 58.016 0.3 . 1 . . . . 69 TYR CA . 26709 1 214 . 1 1 69 69 TYR CB C 13 39.901 0.3 . 1 . . . . 69 TYR CB . 26709 1 215 . 1 1 69 69 TYR N N 15 115.661 0.3 . 1 . . . . 69 TYR N . 26709 1 216 . 1 1 70 70 ASN H H 1 8.132 0.020 . 1 . . . . 70 ASN H . 26709 1 217 . 1 1 70 70 ASN CA C 13 53.918 0.3 . 1 . . . . 70 ASN CA . 26709 1 218 . 1 1 70 70 ASN CB C 13 37.032 0.3 . 1 . . . . 70 ASN CB . 26709 1 219 . 1 1 70 70 ASN N N 15 116.066 0.3 . 1 . . . . 70 ASN N . 26709 1 220 . 1 1 71 71 ILE H H 1 7.273 0.020 . 1 . . . . 71 ILE H . 26709 1 221 . 1 1 71 71 ILE CA C 13 62.115 0.3 . 1 . . . . 71 ILE CA . 26709 1 222 . 1 1 71 71 ILE CB C 13 36.458 0.3 . 1 . . . . 71 ILE CB . 26709 1 223 . 1 1 71 71 ILE N N 15 118.996 0.3 . 1 . . . . 71 ILE N . 26709 1 224 . 1 1 72 72 GLN H H 1 7.633 0.020 . 1 . . . . 72 GLN H . 26709 1 225 . 1 1 72 72 GLN CA C 13 53.344 0.3 . 1 . . . . 72 GLN CA . 26709 1 226 . 1 1 72 72 GLN CB C 13 31.212 0.3 . 1 . . . . 72 GLN CB . 26709 1 227 . 1 1 72 72 GLN N N 15 124.777 0.3 . 1 . . . . 72 GLN N . 26709 1 228 . 1 1 73 73 LYS H H 1 8.471 0.020 . 1 . . . . 73 LYS H . 26709 1 229 . 1 1 73 73 LYS CA C 13 57.771 0.3 . 1 . . . . 73 LYS CA . 26709 1 230 . 1 1 73 73 LYS CB C 13 32.032 0.3 . 1 . . . . 73 LYS CB . 26709 1 231 . 1 1 73 73 LYS N N 15 120.167 0.3 . 1 . . . . 73 LYS N . 26709 1 232 . 1 1 74 74 GLU H H 1 9.266 0.020 . 1 . . . . 74 GLU H . 26709 1 233 . 1 1 74 74 GLU CA C 13 57.935 0.3 . 1 . . . . 74 GLU CA . 26709 1 234 . 1 1 74 74 GLU CB C 13 25.720 0.3 . 1 . . . . 74 GLU CB . 26709 1 235 . 1 1 74 74 GLU N N 15 114.833 0.3 . 1 . . . . 74 GLU N . 26709 1 236 . 1 1 75 75 SER H H 1 7.679 0.020 . 1 . . . . 75 SER H . 26709 1 237 . 1 1 75 75 SER CA C 13 60.640 0.3 . 1 . . . . 75 SER CA . 26709 1 238 . 1 1 75 75 SER CB C 13 64.656 0.3 . 1 . . . . 75 SER CB . 26709 1 239 . 1 1 75 75 SER N N 15 115.035 0.3 . 1 . . . . 75 SER N . 26709 1 240 . 1 1 76 76 THR H H 1 8.689 0.020 . 1 . . . . 76 THR H . 26709 1 241 . 1 1 76 76 THR CA C 13 62.279 0.3 . 1 . . . . 76 THR CA . 26709 1 242 . 1 1 76 76 THR CB C 13 69.984 0.3 . 1 . . . . 76 THR CB . 26709 1 243 . 1 1 76 76 THR N N 15 117.462 0.3 . 1 . . . . 76 THR N . 26709 1 244 . 1 1 77 77 LEU H H 1 9.389 0.020 . 1 . . . . 77 LEU H . 26709 1 245 . 1 1 77 77 LEU CA C 13 53.590 0.3 . 1 . . . . 77 LEU CA . 26709 1 246 . 1 1 77 77 LEU CB C 13 44.163 0.3 . 1 . . . . 77 LEU CB . 26709 1 247 . 1 1 77 77 LEU N N 15 127.672 0.3 . 1 . . . . 77 LEU N . 26709 1 248 . 1 1 78 78 HIS H H 1 9.200 0.020 . 1 . . . . 78 HIS H . 26709 1 249 . 1 1 78 78 HIS CA C 13 56.213 0.3 . 1 . . . . 78 HIS CA . 26709 1 250 . 1 1 78 78 HIS CB C 13 32.278 0.3 . 1 . . . . 78 HIS CB . 26709 1 251 . 1 1 78 78 HIS N N 15 119.674 0.3 . 1 . . . . 78 HIS N . 26709 1 252 . 1 1 79 79 LEU H H 1 8.260 0.020 . 1 . . . . 79 LEU H . 26709 1 253 . 1 1 79 79 LEU CA C 13 53.508 0.3 . 1 . . . . 79 LEU CA . 26709 1 254 . 1 1 79 79 LEU CB C 13 43.835 0.3 . 1 . . . . 79 LEU CB . 26709 1 255 . 1 1 79 79 LEU N N 15 123.688 0.3 . 1 . . . . 79 LEU N . 26709 1 256 . 1 1 80 80 VAL H H 1 9.158 0.020 . 1 . . . . 80 VAL H . 26709 1 257 . 1 1 80 80 VAL CA C 13 60.476 0.3 . 1 . . . . 80 VAL CA . 26709 1 258 . 1 1 80 80 VAL CB C 13 34.409 0.3 . 1 . . . . 80 VAL CB . 26709 1 259 . 1 1 80 80 VAL N N 15 126.562 0.3 . 1 . . . . 80 VAL N . 26709 1 260 . 1 1 81 81 LEU H H 1 8.102 0.020 . 1 . . . . 81 LEU H . 26709 1 261 . 1 1 81 81 LEU CA C 13 53.754 0.3 . 1 . . . . 81 LEU CA . 26709 1 262 . 1 1 81 81 LEU CB C 13 42.524 0.3 . 1 . . . . 81 LEU CB . 26709 1 263 . 1 1 81 81 LEU N N 15 123.122 0.3 . 1 . . . . 81 LEU N . 26709 1 264 . 1 1 82 82 ARG H H 1 8.581 0.020 . 1 . . . . 82 ARG H . 26709 1 265 . 1 1 82 82 ARG CA C 13 55.475 0.3 . 1 . . . . 82 ARG CA . 26709 1 266 . 1 1 82 82 ARG CB C 13 30.884 0.3 . 1 . . . . 82 ARG CB . 26709 1 267 . 1 1 82 82 ARG N N 15 123.630 0.3 . 1 . . . . 82 ARG N . 26709 1 268 . 1 1 83 83 LEU H H 1 8.346 0.020 . 1 . . . . 83 LEU H . 26709 1 269 . 1 1 83 83 LEU CA C 13 54.738 0.3 . 1 . . . . 83 LEU CA . 26709 1 270 . 1 1 83 83 LEU CB C 13 42.196 0.3 . 1 . . . . 83 LEU CB . 26709 1 271 . 1 1 83 83 LEU N N 15 124.542 0.3 . 1 . . . . 83 LEU N . 26709 1 272 . 1 1 84 84 ARG H H 1 8.474 0.020 . 1 . . . . 84 ARG H . 26709 1 273 . 1 1 84 84 ARG CA C 13 55.967 0.3 . 1 . . . . 84 ARG CA . 26709 1 274 . 1 1 84 84 ARG CB C 13 30.310 0.3 . 1 . . . . 84 ARG CB . 26709 1 275 . 1 1 84 84 ARG N N 15 122.334 0.3 . 1 . . . . 84 ARG N . 26709 1 276 . 1 1 86 86 GLY H H 1 8.208 0.020 . 1 . . . . 86 GLY H . 26709 1 277 . 1 1 86 86 GLY CA C 13 45.065 0.3 . 1 . . . . 86 GLY CA . 26709 1 278 . 1 1 86 86 GLY N N 15 108.326 0.3 . 1 . . . . 86 GLY N . 26709 1 279 . 1 1 87 87 MET H H 1 8.906 0.020 . 1 . . . . 87 MET H . 26709 1 280 . 1 1 87 87 MET CA C 13 54.574 0.3 . 1 . . . . 87 MET CA . 26709 1 281 . 1 1 87 87 MET CB C 13 34.409 0.3 . 1 . . . . 87 MET CB . 26709 1 282 . 1 1 87 87 MET N N 15 119.714 0.3 . 1 . . . . 87 MET N . 26709 1 283 . 1 1 88 88 GLN H H 1 8.288 0.020 . 1 . . . . 88 GLN H . 26709 1 284 . 1 1 88 88 GLN CA C 13 54.164 0.3 . 1 . . . . 88 GLN CA . 26709 1 285 . 1 1 88 88 GLN CB C 13 30.474 0.3 . 1 . . . . 88 GLN CB . 26709 1 286 . 1 1 88 88 GLN N N 15 121.468 0.3 . 1 . . . . 88 GLN N . 26709 1 287 . 1 1 89 89 ILE H H 1 8.286 0.020 . 1 . . . . 89 ILE H . 26709 1 288 . 1 1 89 89 ILE CA C 13 59.246 0.3 . 1 . . . . 89 ILE CA . 26709 1 289 . 1 1 89 89 ILE CB C 13 41.622 0.3 . 1 . . . . 89 ILE CB . 26709 1 290 . 1 1 89 89 ILE N N 15 114.217 0.3 . 1 . . . . 89 ILE N . 26709 1 291 . 1 1 90 90 PHE H H 1 8.598 0.020 . 1 . . . . 90 PHE H . 26709 1 292 . 1 1 90 90 PHE CA C 13 54.820 0.3 . 1 . . . . 90 PHE CA . 26709 1 293 . 1 1 90 90 PHE CB C 13 40.966 0.3 . 1 . . . . 90 PHE CB . 26709 1 294 . 1 1 90 90 PHE N N 15 118.685 0.3 . 1 . . . . 90 PHE N . 26709 1 295 . 1 1 91 91 VAL H H 1 9.285 0.020 . 1 . . . . 91 VAL H . 26709 1 296 . 1 1 91 91 VAL CA C 13 60.230 0.3 . 1 . . . . 91 VAL CA . 26709 1 297 . 1 1 91 91 VAL CB C 13 33.835 0.3 . 1 . . . . 91 VAL CB . 26709 1 298 . 1 1 91 91 VAL N N 15 121.324 0.3 . 1 . . . . 91 VAL N . 26709 1 299 . 1 1 92 92 LYS H H 1 8.968 0.020 . 1 . . . . 92 LYS H . 26709 1 300 . 1 1 92 92 LYS CA C 13 54.492 0.3 . 1 . . . . 92 LYS CA . 26709 1 301 . 1 1 92 92 LYS CB C 13 33.835 0.3 . 1 . . . . 92 LYS CB . 26709 1 302 . 1 1 92 92 LYS N N 15 127.982 0.3 . 1 . . . . 92 LYS N . 26709 1 303 . 1 1 93 93 THR H H 1 8.696 0.020 . 1 . . . . 93 THR H . 26709 1 304 . 1 1 93 93 THR CA C 13 60.312 0.3 . 1 . . . . 93 THR CA . 26709 1 305 . 1 1 93 93 THR CB C 13 70.230 0.3 . 1 . . . . 93 THR CB . 26709 1 306 . 1 1 93 93 THR N N 15 115.121 0.3 . 1 . . . . 93 THR N . 26709 1 307 . 1 1 94 94 LEU H H 1 9.130 0.020 . 1 . . . . 94 LEU H . 26709 1 308 . 1 1 94 94 LEU CA C 13 57.279 0.3 . 1 . . . . 94 LEU CA . 26709 1 309 . 1 1 94 94 LEU CB C 13 41.458 0.3 . 1 . . . . 94 LEU CB . 26709 1 310 . 1 1 94 94 LEU N N 15 121.311 0.3 . 1 . . . . 94 LEU N . 26709 1 311 . 1 1 97 97 LYS H H 1 7.261 0.020 . 1 . . . . 97 LYS H . 26709 1 312 . 1 1 97 97 LYS CA C 13 56.049 0.3 . 1 . . . . 97 LYS CA . 26709 1 313 . 1 1 97 97 LYS CB C 13 33.015 0.3 . 1 . . . . 97 LYS CB . 26709 1 314 . 1 1 97 97 LYS N N 15 121.864 0.3 . 1 . . . . 97 LYS N . 26709 1 315 . 1 1 99 99 ILE H H 1 9.597 0.020 . 1 . . . . 99 ILE H . 26709 1 316 . 1 1 99 99 ILE CA C 13 59.954 0.3 . 1 . . . . 99 ILE CA . 26709 1 317 . 1 1 99 99 ILE CB C 13 40.402 0.3 . 1 . . . . 99 ILE CB . 26709 1 318 . 1 1 99 99 ILE N N 15 128.299 0.3 . 1 . . . . 99 ILE N . 26709 1 319 . 1 1 100 100 THR H H 1 8.741 0.020 . 1 . . . . 100 THR H . 26709 1 320 . 1 1 100 100 THR CA C 13 61.951 0.3 . 1 . . . . 100 THR CA . 26709 1 321 . 1 1 100 100 THR CB C 13 69.165 0.3 . 1 . . . . 100 THR CB . 26709 1 322 . 1 1 100 100 THR N N 15 122.005 0.3 . 1 . . . . 100 THR N . 26709 1 323 . 1 1 101 101 LEU H H 1 8.707 0.020 . 1 . . . . 101 LEU H . 26709 1 324 . 1 1 101 101 LEU CA C 13 52.360 0.3 . 1 . . . . 101 LEU CA . 26709 1 325 . 1 1 101 101 LEU CB C 13 45.967 0.3 . 1 . . . . 101 LEU CB . 26709 1 326 . 1 1 101 101 LEU N N 15 125.041 0.3 . 1 . . . . 101 LEU N . 26709 1 327 . 1 1 102 102 GLU H H 1 8.158 0.020 . 1 . . . . 102 GLU H . 26709 1 328 . 1 1 102 102 GLU CA C 13 55.475 0.3 . 1 . . . . 102 GLU CA . 26709 1 329 . 1 1 102 102 GLU CB C 13 29.573 0.3 . 1 . . . . 102 GLU CB . 26709 1 330 . 1 1 102 102 GLU N N 15 122.020 0.3 . 1 . . . . 102 GLU N . 26709 1 331 . 1 1 103 103 VAL H H 1 8.668 0.020 . 1 . . . . 103 VAL H . 26709 1 332 . 1 1 103 103 VAL CA C 13 58.426 0.3 . 1 . . . . 103 VAL CA . 26709 1 333 . 1 1 103 103 VAL CB C 13 35.966 0.3 . 1 . . . . 103 VAL CB . 26709 1 334 . 1 1 103 103 VAL N N 15 116.682 0.3 . 1 . . . . 103 VAL N . 26709 1 335 . 1 1 104 104 GLU H H 1 8.500 0.020 . 1 . . . . 104 GLU H . 26709 1 336 . 1 1 104 104 GLU CA C 13 53.262 0.3 . 1 . . . . 104 GLU CA . 26709 1 337 . 1 1 104 104 GLU CB C 13 31.048 0.3 . 1 . . . . 104 GLU CB . 26709 1 338 . 1 1 104 104 GLU N N 15 118.054 0.3 . 1 . . . . 104 GLU N . 26709 1 339 . 1 1 106 106 SER H H 1 7.088 0.020 . 1 . . . . 106 SER H . 26709 1 340 . 1 1 106 106 SER CA C 13 57.197 0.3 . 1 . . . . 106 SER CA . 26709 1 341 . 1 1 106 106 SER CB C 13 63.181 0.3 . 1 . . . . 106 SER CB . 26709 1 342 . 1 1 106 106 SER N N 15 103.864 0.3 . 1 . . . . 106 SER N . 26709 1 343 . 1 1 107 107 ASP H H 1 8.021 0.020 . 1 . . . . 107 ASP H . 26709 1 344 . 1 1 107 107 ASP CA C 13 55.721 0.3 . 1 . . . . 107 ASP CA . 26709 1 345 . 1 1 107 107 ASP CB C 13 40.557 0.3 . 1 . . . . 107 ASP CB . 26709 1 346 . 1 1 107 107 ASP N N 15 123.830 0.3 . 1 . . . . 107 ASP N . 26709 1 347 . 1 1 108 108 THR H H 1 7.931 0.020 . 1 . . . . 108 THR H . 26709 1 348 . 1 1 108 108 THR CA C 13 59.328 0.3 . 1 . . . . 108 THR CA . 26709 1 349 . 1 1 108 108 THR CB C 13 70.968 0.3 . 1 . . . . 108 THR CB . 26709 1 350 . 1 1 108 108 THR N N 15 109.618 0.3 . 1 . . . . 108 THR N . 26709 1 351 . 1 1 109 109 ILE H H 1 8.505 0.020 . 1 . . . . 109 ILE H . 26709 1 352 . 1 1 109 109 ILE CA C 13 62.033 0.3 . 1 . . . . 109 ILE CA . 26709 1 353 . 1 1 109 109 ILE CB C 13 34.081 0.3 . 1 . . . . 109 ILE CB . 26709 1 354 . 1 1 109 109 ILE N N 15 121.278 0.3 . 1 . . . . 109 ILE N . 26709 1 355 . 1 1 111 111 ASN H H 1 7.950 0.020 . 1 . . . . 111 ASN H . 26709 1 356 . 1 1 111 111 ASN CA C 13 55.803 0.3 . 1 . . . . 111 ASN CA . 26709 1 357 . 1 1 111 111 ASN CB C 13 38.016 0.3 . 1 . . . . 111 ASN CB . 26709 1 358 . 1 1 111 111 ASN N N 15 121.250 0.3 . 1 . . . . 111 ASN N . 26709 1 359 . 1 1 112 112 VAL H H 1 8.134 0.020 . 1 . . . . 112 VAL H . 26709 1 360 . 1 1 112 112 VAL CA C 13 67.525 0.3 . 1 . . . . 112 VAL CA . 26709 1 361 . 1 1 112 112 VAL CB C 13 30.064 0.3 . 1 . . . . 112 VAL CB . 26709 1 362 . 1 1 112 112 VAL N N 15 122.132 0.3 . 1 . . . . 112 VAL N . 26709 1 363 . 1 1 113 113 LYS H H 1 8.516 0.020 . 1 . . . . 113 LYS H . 26709 1 364 . 1 1 113 113 LYS CA C 13 59.082 0.3 . 1 . . . . 113 LYS CA . 26709 1 365 . 1 1 113 113 LYS CB C 13 33.261 0.3 . 1 . . . . 113 LYS CB . 26709 1 366 . 1 1 113 113 LYS N N 15 118.978 0.3 . 1 . . . . 113 LYS N . 26709 1 367 . 1 1 114 114 ALA H H 1 7.962 0.020 . 1 . . . . 114 ALA H . 26709 1 368 . 1 1 114 114 ALA CA C 13 55.066 0.3 . 1 . . . . 114 ALA CA . 26709 1 369 . 1 1 114 114 ALA CB C 13 17.359 0.3 . 1 . . . . 114 ALA CB . 26709 1 370 . 1 1 114 114 ALA N N 15 123.448 0.3 . 1 . . . . 114 ALA N . 26709 1 371 . 1 1 115 115 LYS H H 1 7.867 0.020 . 1 . . . . 115 LYS H . 26709 1 372 . 1 1 115 115 LYS CA C 13 59.574 0.3 . 1 . . . . 115 LYS CA . 26709 1 373 . 1 1 115 115 LYS CB C 13 33.097 0.3 . 1 . . . . 115 LYS CB . 26709 1 374 . 1 1 115 115 LYS N N 15 120.278 0.3 . 1 . . . . 115 LYS N . 26709 1 375 . 1 1 116 116 ILE H H 1 8.277 0.020 . 1 . . . . 116 ILE H . 26709 1 376 . 1 1 116 116 ILE CA C 13 65.968 0.3 . 1 . . . . 116 ILE CA . 26709 1 377 . 1 1 116 116 ILE CB C 13 36.376 0.3 . 1 . . . . 116 ILE CB . 26709 1 378 . 1 1 116 116 ILE N N 15 121.372 0.3 . 1 . . . . 116 ILE N . 26709 1 379 . 1 1 117 117 GLN H H 1 8.536 0.020 . 1 . . . . 117 GLN H . 26709 1 380 . 1 1 117 117 GLN CA C 13 59.738 0.3 . 1 . . . . 117 GLN CA . 26709 1 381 . 1 1 117 117 GLN CB C 13 27.441 0.3 . 1 . . . . 117 GLN CB . 26709 1 382 . 1 1 117 117 GLN N N 15 123.941 0.3 . 1 . . . . 117 GLN N . 26709 1 383 . 1 1 118 118 ASP H H 1 8.051 0.020 . 1 . . . . 118 ASP H . 26709 1 384 . 1 1 118 118 ASP CA C 13 57.279 0.3 . 1 . . . . 118 ASP CA . 26709 1 385 . 1 1 118 118 ASP CB C 13 40.721 0.3 . 1 . . . . 118 ASP CB . 26709 1 386 . 1 1 118 118 ASP N N 15 119.875 0.3 . 1 . . . . 118 ASP N . 26709 1 387 . 1 1 119 119 LYS H H 1 7.437 0.020 . 1 . . . . 119 LYS H . 26709 1 388 . 1 1 119 119 LYS CA C 13 57.965 0.3 . 1 . . . . 119 LYS CA . 26709 1 389 . 1 1 119 119 LYS CB C 13 33.518 0.3 . 1 . . . . 119 LYS CB . 26709 1 390 . 1 1 119 119 LYS N N 15 115.524 0.3 . 1 . . . . 119 LYS N . 26709 1 391 . 1 1 120 120 GLU H H 1 8.706 0.020 . 1 . . . . 120 GLU H . 26709 1 392 . 1 1 120 120 GLU CA C 13 55.024 0.3 . 1 . . . . 120 GLU CA . 26709 1 393 . 1 1 120 120 GLU CB C 13 32.941 0.3 . 1 . . . . 120 GLU CB . 26709 1 394 . 1 1 120 120 GLU N N 15 114.352 0.3 . 1 . . . . 120 GLU N . 26709 1 395 . 1 1 121 121 GLY H H 1 8.488 0.020 . 1 . . . . 121 GLY H . 26709 1 396 . 1 1 121 121 GLY CA C 13 45.684 0.3 . 1 . . . . 121 GLY CA . 26709 1 397 . 1 1 121 121 GLY N N 15 108.908 0.3 . 1 . . . . 121 GLY N . 26709 1 398 . 1 1 122 122 ILE H H 1 6.135 0.020 . 1 . . . . 122 ILE H . 26709 1 399 . 1 1 122 122 ILE CA C 13 57.734 0.3 . 1 . . . . 122 ILE CA . 26709 1 400 . 1 1 122 122 ILE CB C 13 40.091 0.3 . 1 . . . . 122 ILE CB . 26709 1 401 . 1 1 122 122 ILE N N 15 120.396 0.3 . 1 . . . . 122 ILE N . 26709 1 402 . 1 1 125 125 ASP H H 1 8.519 0.020 . 1 . . . . 125 ASP H . 26709 1 403 . 1 1 125 125 ASP CA C 13 55.543 0.3 . 1 . . . . 125 ASP CA . 26709 1 404 . 1 1 125 125 ASP CB C 13 39.457 0.3 . 1 . . . . 125 ASP CB . 26709 1 405 . 1 1 125 125 ASP N N 15 113.607 0.3 . 1 . . . . 125 ASP N . 26709 1 406 . 1 1 126 126 GLN H H 1 7.795 0.020 . 1 . . . . 126 GLN H . 26709 1 407 . 1 1 126 126 GLN CA C 13 55.255 0.3 . 1 . . . . 126 GLN CA . 26709 1 408 . 1 1 126 126 GLN CB C 13 29.770 0.3 . 1 . . . . 126 GLN CB . 26709 1 409 . 1 1 126 126 GLN N N 15 116.865 0.3 . 1 . . . . 126 GLN N . 26709 1 410 . 1 1 127 127 GLN H H 1 7.465 0.020 . 1 . . . . 127 GLN H . 26709 1 411 . 1 1 127 127 GLN CA C 13 56.350 0.3 . 1 . . . . 127 GLN CA . 26709 1 412 . 1 1 127 127 GLN CB C 13 31.154 0.3 . 1 . . . . 127 GLN CB . 26709 1 413 . 1 1 127 127 GLN N N 15 118.060 0.3 . 1 . . . . 127 GLN N . 26709 1 414 . 1 1 129 129 LEU H H 1 8.793 0.020 . 1 . . . . 129 LEU H . 26709 1 415 . 1 1 129 129 LEU CA C 13 52.718 0.3 . 1 . . . . 129 LEU CA . 26709 1 416 . 1 1 129 129 LEU CB C 13 45.395 0.3 . 1 . . . . 129 LEU CB . 26709 1 417 . 1 1 129 129 LEU N N 15 124.441 0.3 . 1 . . . . 129 LEU N . 26709 1 418 . 1 1 130 130 ILE H H 1 9.125 0.020 . 1 . . . . 130 ILE H . 26709 1 419 . 1 1 130 130 ILE CA C 13 58.772 0.3 . 1 . . . . 130 ILE CA . 26709 1 420 . 1 1 130 130 ILE CB C 13 40.783 0.3 . 1 . . . . 130 ILE CB . 26709 1 421 . 1 1 130 130 ILE N N 15 122.373 0.3 . 1 . . . . 130 ILE N . 26709 1 422 . 1 1 133 133 GLY H H 1 8.083 0.020 . 1 . . . . 133 GLY H . 26709 1 423 . 1 1 133 133 GLY CA C 13 45.049 0.3 . 1 . . . . 133 GLY CA . 26709 1 424 . 1 1 133 133 GLY N N 15 102.419 0.3 . 1 . . . . 133 GLY N . 26709 1 425 . 1 1 134 134 LYS H H 1 7.952 0.020 . 1 . . . . 134 LYS H . 26709 1 426 . 1 1 134 134 LYS CA C 13 54.328 0.3 . 1 . . . . 134 LYS CA . 26709 1 427 . 1 1 134 134 LYS CB C 13 33.999 0.3 . 1 . . . . 134 LYS CB . 26709 1 428 . 1 1 134 134 LYS N N 15 122.039 0.3 . 1 . . . . 134 LYS N . 26709 1 429 . 1 1 135 135 GLN H H 1 8.644 0.020 . 1 . . . . 135 GLN H . 26709 1 430 . 1 1 135 135 GLN CA C 13 55.967 0.3 . 1 . . . . 135 GLN CA . 26709 1 431 . 1 1 135 135 GLN CB C 13 28.917 0.3 . 1 . . . . 135 GLN CB . 26709 1 432 . 1 1 135 135 GLN N N 15 123.241 0.3 . 1 . . . . 135 GLN N . 26709 1 433 . 1 1 136 136 LEU H H 1 8.548 0.020 . 1 . . . . 136 LEU H . 26709 1 434 . 1 1 136 136 LEU CA C 13 53.918 0.3 . 1 . . . . 136 LEU CA . 26709 1 435 . 1 1 136 136 LEU CB C 13 41.212 0.3 . 1 . . . . 136 LEU CB . 26709 1 436 . 1 1 136 136 LEU N N 15 125.730 0.3 . 1 . . . . 136 LEU N . 26709 1 437 . 1 1 140 140 ARG H H 1 7.441 0.020 . 1 . . . . 140 ARG H . 26709 1 438 . 1 1 140 140 ARG CA C 13 54.000 0.3 . 1 . . . . 140 ARG CA . 26709 1 439 . 1 1 140 140 ARG CB C 13 32.360 0.3 . 1 . . . . 140 ARG CB . 26709 1 440 . 1 1 140 140 ARG N N 15 119.329 0.3 . 1 . . . . 140 ARG N . 26709 1 441 . 1 1 141 141 THR H H 1 8.832 0.020 . 1 . . . . 141 THR H . 26709 1 442 . 1 1 141 141 THR CA C 13 59.328 0.3 . 1 . . . . 141 THR CA . 26709 1 443 . 1 1 141 141 THR CB C 13 72.034 0.3 . 1 . . . . 141 THR CB . 26709 1 444 . 1 1 141 141 THR N N 15 108.810 0.3 . 1 . . . . 141 THR N . 26709 1 445 . 1 1 142 142 LEU H H 1 8.176 0.020 . 1 . . . . 142 LEU H . 26709 1 446 . 1 1 142 142 LEU CA C 13 58.508 0.3 . 1 . . . . 142 LEU CA . 26709 1 447 . 1 1 142 142 LEU CB C 13 39.983 0.3 . 1 . . . . 142 LEU CB . 26709 1 448 . 1 1 142 142 LEU N N 15 117.750 0.3 . 1 . . . . 142 LEU N . 26709 1 449 . 1 1 143 143 SER H H 1 8.366 0.020 . 1 . . . . 143 SER H . 26709 1 450 . 1 1 143 143 SER CA C 13 60.803 0.3 . 1 . . . . 143 SER CA . 26709 1 451 . 1 1 143 143 SER CB C 13 62.197 0.3 . 1 . . . . 143 SER CB . 26709 1 452 . 1 1 143 143 SER N N 15 113.273 0.3 . 1 . . . . 143 SER N . 26709 1 453 . 1 1 144 144 ASP H H 1 7.940 0.020 . 1 . . . . 144 ASP H . 26709 1 454 . 1 1 144 144 ASP CA C 13 57.279 0.3 . 1 . . . . 144 ASP CA . 26709 1 455 . 1 1 144 144 ASP CB C 13 39.901 0.3 . 1 . . . . 144 ASP CB . 26709 1 456 . 1 1 144 144 ASP N N 15 124.587 0.3 . 1 . . . . 144 ASP N . 26709 1 457 . 1 1 145 145 TYR H H 1 7.224 0.020 . 1 . . . . 145 TYR H . 26709 1 458 . 1 1 145 145 TYR CA C 13 58.016 0.3 . 1 . . . . 145 TYR CA . 26709 1 459 . 1 1 145 145 TYR CB C 13 39.737 0.3 . 1 . . . . 145 TYR CB . 26709 1 460 . 1 1 145 145 TYR N N 15 115.709 0.3 . 1 . . . . 145 TYR N . 26709 1 461 . 1 1 146 146 ASN H H 1 8.142 0.020 . 1 . . . . 146 ASN H . 26709 1 462 . 1 1 146 146 ASN CA C 13 53.918 0.3 . 1 . . . . 146 ASN CA . 26709 1 463 . 1 1 146 146 ASN CB C 13 37.114 0.3 . 1 . . . . 146 ASN CB . 26709 1 464 . 1 1 146 146 ASN N N 15 115.973 0.3 . 1 . . . . 146 ASN N . 26709 1 465 . 1 1 147 147 ILE H H 1 7.380 0.020 . 1 . . . . 147 ILE H . 26709 1 466 . 1 1 147 147 ILE CA C 13 61.869 0.3 . 1 . . . . 147 ILE CA . 26709 1 467 . 1 1 147 147 ILE CB C 13 36.458 0.3 . 1 . . . . 147 ILE CB . 26709 1 468 . 1 1 147 147 ILE N N 15 118.701 0.3 . 1 . . . . 147 ILE N . 26709 1 469 . 1 1 148 148 GLN H H 1 7.843 0.020 . 1 . . . . 148 GLN H . 26709 1 470 . 1 1 148 148 GLN CA C 13 53.508 0.3 . 1 . . . . 148 GLN CA . 26709 1 471 . 1 1 148 148 GLN CB C 13 30.802 0.3 . 1 . . . . 148 GLN CB . 26709 1 472 . 1 1 148 148 GLN N N 15 125.658 0.3 . 1 . . . . 148 GLN N . 26709 1 473 . 1 1 149 149 LYS H H 1 8.415 0.020 . 1 . . . . 149 LYS H . 26709 1 474 . 1 1 149 149 LYS CA C 13 57.771 0.3 . 1 . . . . 149 LYS CA . 26709 1 475 . 1 1 149 149 LYS CB C 13 32.032 0.3 . 1 . . . . 149 LYS CB . 26709 1 476 . 1 1 149 149 LYS N N 15 119.728 0.3 . 1 . . . . 149 LYS N . 26709 1 477 . 1 1 150 150 GLU H H 1 9.304 0.020 . 1 . . . . 150 GLU H . 26709 1 478 . 1 1 150 150 GLU CA C 13 58.016 0.3 . 1 . . . . 150 GLU CA . 26709 1 479 . 1 1 150 150 GLU CB C 13 25.802 0.3 . 1 . . . . 150 GLU CB . 26709 1 480 . 1 1 150 150 GLU N N 15 114.933 0.3 . 1 . . . . 150 GLU N . 26709 1 481 . 1 1 151 151 SER H H 1 7.631 0.020 . 1 . . . . 151 SER H . 26709 1 482 . 1 1 151 151 SER CA C 13 60.558 0.3 . 1 . . . . 151 SER CA . 26709 1 483 . 1 1 151 151 SER CB C 13 64.574 0.3 . 1 . . . . 151 SER CB . 26709 1 484 . 1 1 151 151 SER N N 15 115.129 0.3 . 1 . . . . 151 SER N . 26709 1 485 . 1 1 152 152 THR H H 1 8.659 0.020 . 1 . . . . 152 THR H . 26709 1 486 . 1 1 152 152 THR CA C 13 62.197 0.3 . 1 . . . . 152 THR CA . 26709 1 487 . 1 1 152 152 THR CB C 13 69.984 0.3 . 1 . . . . 152 THR CB . 26709 1 488 . 1 1 152 152 THR N N 15 117.384 0.3 . 1 . . . . 152 THR N . 26709 1 489 . 1 1 153 153 LEU H H 1 9.411 0.020 . 1 . . . . 153 LEU H . 26709 1 490 . 1 1 153 153 LEU CA C 13 53.590 0.3 . 1 . . . . 153 LEU CA . 26709 1 491 . 1 1 153 153 LEU CB C 13 44.245 0.3 . 1 . . . . 153 LEU CB . 26709 1 492 . 1 1 153 153 LEU N N 15 127.948 0.3 . 1 . . . . 153 LEU N . 26709 1 493 . 1 1 154 154 HIS H H 1 9.153 0.020 . 1 . . . . 154 HIS H . 26709 1 494 . 1 1 154 154 HIS CA C 13 56.131 0.3 . 1 . . . . 154 HIS CA . 26709 1 495 . 1 1 154 154 HIS CB C 13 32.360 0.3 . 1 . . . . 154 HIS CB . 26709 1 496 . 1 1 154 154 HIS N N 15 119.499 0.3 . 1 . . . . 154 HIS N . 26709 1 497 . 1 1 155 155 LEU H H 1 8.260 0.020 . 1 . . . . 155 LEU H . 26709 1 498 . 1 1 155 155 LEU CA C 13 53.508 0.3 . 1 . . . . 155 LEU CA . 26709 1 499 . 1 1 155 155 LEU CB C 13 43.835 0.3 . 1 . . . . 155 LEU CB . 26709 1 500 . 1 1 155 155 LEU N N 15 123.647 0.3 . 1 . . . . 155 LEU N . 26709 1 501 . 1 1 156 156 VAL H H 1 9.170 0.020 . 1 . . . . 156 VAL H . 26709 1 502 . 1 1 156 156 VAL CA C 13 60.394 0.3 . 1 . . . . 156 VAL CA . 26709 1 503 . 1 1 156 156 VAL CB C 13 34.409 0.3 . 1 . . . . 156 VAL CB . 26709 1 504 . 1 1 156 156 VAL N N 15 127.007 0.3 . 1 . . . . 156 VAL N . 26709 1 505 . 1 1 157 157 LEU H H 1 8.103 0.020 . 1 . . . . 157 LEU H . 26709 1 506 . 1 1 157 157 LEU CA C 13 53.672 0.3 . 1 . . . . 157 LEU CA . 26709 1 507 . 1 1 157 157 LEU CB C 13 42.524 0.3 . 1 . . . . 157 LEU CB . 26709 1 508 . 1 1 157 157 LEU N N 15 123.090 0.3 . 1 . . . . 157 LEU N . 26709 1 509 . 1 1 158 158 ARG H H 1 8.579 0.020 . 1 . . . . 158 ARG H . 26709 1 510 . 1 1 158 158 ARG CA C 13 55.393 0.3 . 1 . . . . 158 ARG CA . 26709 1 511 . 1 1 158 158 ARG CB C 13 30.884 0.3 . 1 . . . . 158 ARG CB . 26709 1 512 . 1 1 158 158 ARG N N 15 123.684 0.3 . 1 . . . . 158 ARG N . 26709 1 513 . 1 1 159 159 LEU H H 1 8.379 0.020 . 1 . . . . 159 LEU H . 26709 1 514 . 1 1 159 159 LEU CA C 13 54.902 0.3 . 1 . . . . 159 LEU CA . 26709 1 515 . 1 1 159 159 LEU CB C 13 42.032 0.3 . 1 . . . . 159 LEU CB . 26709 1 516 . 1 1 159 159 LEU N N 15 124.594 0.3 . 1 . . . . 159 LEU N . 26709 1 517 . 1 1 162 162 GLY H H 1 7.934 0.020 . 1 . . . . 162 GLY H . 26709 1 518 . 1 1 162 162 GLY CA C 13 45.557 0.3 . 1 . . . . 162 GLY CA . 26709 1 519 . 1 1 162 162 GLY N N 15 115.104 0.3 . 1 . . . . 162 GLY N . 26709 1 stop_ save_