data_50537 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50537 _Entry.Title ; Backbone Assignments for the Human Interleukin-17A Homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-28 _Entry.Accession_date 2020-10-28 _Entry.Last_release_date 2020-10-28 _Entry.Original_release_date 2020-10-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vaclav Veverka . . . . 50537 2 Lorna Waters . C. . . 50537 3 Frederick Muskett . W. . . 50537 4 Richard Taylor . J. . . 50537 5 Alistair Henry . J. . . 50537 6 Mark Carr . D. . . 50537 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Molecular and Cell Biology/Leicester Institute of Structural and Chemical Biology, University of Leicester' . 50537 2 . 'UCB Pharma' . 50537 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50537 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 50537 '15N chemical shifts' 93 50537 '1H chemical shifts' 93 50537 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 . . 2021-04-19 . original BMRB . 50537 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50538 'Human Interleukin-17F Homodimer' 50537 BMRB 50540 'Human Interleukin-17AF Heterodimer' 50537 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50537 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33706174 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational dynamics in interleukin 17A and 17F functional complexes is a key determinant of receptor A affinity and specificity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cytokine _Citation.Journal_name_full . _Citation.Journal_volume 142 _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 155476 _Citation.Page_last 155476 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lorna Waters L. C. . . 50537 1 2 Vaclav Veverka V. . . . 50537 1 3 Sarah Strong S. L. . . 50537 1 4 Frederick Muskett F. W. . . 50537 1 5 Neesha Dedi N. . . . 50537 1 6 Alastair Lawson . . . . 50537 1 7 Christine Prosser C. E. . . 50537 1 8 Richard Taylor R. J. . . 50537 1 9 Alistair Henry A. J. . . 50537 1 10 Mark Carr M. D. . . 50537 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'IL-17, conformational dynamics, receptor affinity, structural changes, IL-17 receptor' 50537 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50537 _Assembly.ID 1 _Assembly.Name 'IL-17A dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30230 _Assembly.Enzyme_commission_number . _Assembly.Details 'Symmetrical homodimer linked by intermolecular disulphides' _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 'IL-17A - protomer 1' 1 $entity_1 . . yes native no no . . . 50537 1 2 'IL-17A - protomer 2' 1 $entity_1 . . yes native no no . . . 50537 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 2 . 2 CYS 106 106 SG . . . 33 CYS SG . . . 129 CYS SG 50537 1 2 disulfide single . 2 . 2 CYS 10 10 SG . 1 . 1 CYS 106 106 SG . . . 33 CYS SG . . . 129 CYS SG 50537 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Disulphide linked stable complex' 50537 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Proinflammatory cytokine' 50537 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50537 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GITIPRNPGCPNSEDKNFPR TVMVNLNIHNRNTNTNPKRS SDYYNRSTSPWNLHRNEDPE RYPSVIWEAKCRHLGCINAD GNVDYHMNSVPIQQEILVLR REPPHCPNSFRLEKILVSVG CTCVTPIVHHVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature sequence of human IL-17A' _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes Uniprot Q16552 . IL-17A . . . . . . . . . . . . . . 50537 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proinflammatory cytokine' 50537 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 24 GLY . 50537 1 2 25 ILE . 50537 1 3 26 THR . 50537 1 4 27 ILE . 50537 1 5 28 PRO . 50537 1 6 29 ARG . 50537 1 7 30 ASN . 50537 1 8 31 PRO . 50537 1 9 32 GLY . 50537 1 10 33 CYS . 50537 1 11 34 PRO . 50537 1 12 35 ASN . 50537 1 13 36 SER . 50537 1 14 37 GLU . 50537 1 15 38 ASP . 50537 1 16 39 LYS . 50537 1 17 40 ASN . 50537 1 18 41 PHE . 50537 1 19 42 PRO . 50537 1 20 43 ARG . 50537 1 21 44 THR . 50537 1 22 45 VAL . 50537 1 23 46 MET . 50537 1 24 47 VAL . 50537 1 25 48 ASN . 50537 1 26 49 LEU . 50537 1 27 50 ASN . 50537 1 28 51 ILE . 50537 1 29 52 HIS . 50537 1 30 53 ASN . 50537 1 31 54 ARG . 50537 1 32 55 ASN . 50537 1 33 56 THR . 50537 1 34 57 ASN . 50537 1 35 58 THR . 50537 1 36 59 ASN . 50537 1 37 60 PRO . 50537 1 38 61 LYS . 50537 1 39 62 ARG . 50537 1 40 63 SER . 50537 1 41 64 SER . 50537 1 42 65 ASP . 50537 1 43 66 TYR . 50537 1 44 67 TYR . 50537 1 45 68 ASN . 50537 1 46 69 ARG . 50537 1 47 70 SER . 50537 1 48 71 THR . 50537 1 49 72 SER . 50537 1 50 73 PRO . 50537 1 51 74 TRP . 50537 1 52 75 ASN . 50537 1 53 76 LEU . 50537 1 54 77 HIS . 50537 1 55 78 ARG . 50537 1 56 79 ASN . 50537 1 57 80 GLU . 50537 1 58 81 ASP . 50537 1 59 82 PRO . 50537 1 60 83 GLU . 50537 1 61 84 ARG . 50537 1 62 85 TYR . 50537 1 63 86 PRO . 50537 1 64 87 SER . 50537 1 65 88 VAL . 50537 1 66 89 ILE . 50537 1 67 90 TRP . 50537 1 68 91 GLU . 50537 1 69 92 ALA . 50537 1 70 93 LYS . 50537 1 71 94 CYS . 50537 1 72 95 ARG . 50537 1 73 96 HIS . 50537 1 74 97 LEU . 50537 1 75 98 GLY . 50537 1 76 99 CYS . 50537 1 77 100 ILE . 50537 1 78 101 ASN . 50537 1 79 102 ALA . 50537 1 80 103 ASP . 50537 1 81 104 GLY . 50537 1 82 105 ASN . 50537 1 83 106 VAL . 50537 1 84 107 ASP . 50537 1 85 108 TYR . 50537 1 86 109 HIS . 50537 1 87 110 MET . 50537 1 88 111 ASN . 50537 1 89 112 SER . 50537 1 90 113 VAL . 50537 1 91 114 PRO . 50537 1 92 115 ILE . 50537 1 93 116 GLN . 50537 1 94 117 GLN . 50537 1 95 118 GLU . 50537 1 96 119 ILE . 50537 1 97 120 LEU . 50537 1 98 121 VAL . 50537 1 99 122 LEU . 50537 1 100 123 ARG . 50537 1 101 124 ARG . 50537 1 102 125 GLU . 50537 1 103 126 PRO . 50537 1 104 127 PRO . 50537 1 105 128 HIS . 50537 1 106 129 CYS . 50537 1 107 130 PRO . 50537 1 108 131 ASN . 50537 1 109 132 SER . 50537 1 110 133 PHE . 50537 1 111 134 ARG . 50537 1 112 135 LEU . 50537 1 113 136 GLU . 50537 1 114 137 LYS . 50537 1 115 138 ILE . 50537 1 116 139 LEU . 50537 1 117 140 VAL . 50537 1 118 141 SER . 50537 1 119 142 VAL . 50537 1 120 143 GLY . 50537 1 121 144 CYS . 50537 1 122 145 THR . 50537 1 123 146 CYS . 50537 1 124 147 VAL . 50537 1 125 148 THR . 50537 1 126 149 PRO . 50537 1 127 150 ILE . 50537 1 128 151 VAL . 50537 1 129 152 HIS . 50537 1 130 153 HIS . 50537 1 131 154 VAL . 50537 1 132 155 ALA . 50537 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50537 1 . ILE 2 2 50537 1 . THR 3 3 50537 1 . ILE 4 4 50537 1 . PRO 5 5 50537 1 . ARG 6 6 50537 1 . ASN 7 7 50537 1 . PRO 8 8 50537 1 . GLY 9 9 50537 1 . CYS 10 10 50537 1 . PRO 11 11 50537 1 . ASN 12 12 50537 1 . SER 13 13 50537 1 . GLU 14 14 50537 1 . ASP 15 15 50537 1 . LYS 16 16 50537 1 . ASN 17 17 50537 1 . PHE 18 18 50537 1 . PRO 19 19 50537 1 . ARG 20 20 50537 1 . THR 21 21 50537 1 . VAL 22 22 50537 1 . MET 23 23 50537 1 . VAL 24 24 50537 1 . ASN 25 25 50537 1 . LEU 26 26 50537 1 . ASN 27 27 50537 1 . ILE 28 28 50537 1 . HIS 29 29 50537 1 . ASN 30 30 50537 1 . ARG 31 31 50537 1 . ASN 32 32 50537 1 . THR 33 33 50537 1 . ASN 34 34 50537 1 . THR 35 35 50537 1 . ASN 36 36 50537 1 . PRO 37 37 50537 1 . LYS 38 38 50537 1 . ARG 39 39 50537 1 . SER 40 40 50537 1 . SER 41 41 50537 1 . ASP 42 42 50537 1 . TYR 43 43 50537 1 . TYR 44 44 50537 1 . ASN 45 45 50537 1 . ARG 46 46 50537 1 . SER 47 47 50537 1 . THR 48 48 50537 1 . SER 49 49 50537 1 . PRO 50 50 50537 1 . TRP 51 51 50537 1 . ASN 52 52 50537 1 . LEU 53 53 50537 1 . HIS 54 54 50537 1 . ARG 55 55 50537 1 . ASN 56 56 50537 1 . GLU 57 57 50537 1 . ASP 58 58 50537 1 . PRO 59 59 50537 1 . GLU 60 60 50537 1 . ARG 61 61 50537 1 . TYR 62 62 50537 1 . PRO 63 63 50537 1 . SER 64 64 50537 1 . VAL 65 65 50537 1 . ILE 66 66 50537 1 . TRP 67 67 50537 1 . GLU 68 68 50537 1 . ALA 69 69 50537 1 . LYS 70 70 50537 1 . CYS 71 71 50537 1 . ARG 72 72 50537 1 . HIS 73 73 50537 1 . LEU 74 74 50537 1 . GLY 75 75 50537 1 . CYS 76 76 50537 1 . ILE 77 77 50537 1 . ASN 78 78 50537 1 . ALA 79 79 50537 1 . ASP 80 80 50537 1 . GLY 81 81 50537 1 . ASN 82 82 50537 1 . VAL 83 83 50537 1 . ASP 84 84 50537 1 . TYR 85 85 50537 1 . HIS 86 86 50537 1 . MET 87 87 50537 1 . ASN 88 88 50537 1 . SER 89 89 50537 1 . VAL 90 90 50537 1 . PRO 91 91 50537 1 . ILE 92 92 50537 1 . GLN 93 93 50537 1 . GLN 94 94 50537 1 . GLU 95 95 50537 1 . ILE 96 96 50537 1 . LEU 97 97 50537 1 . VAL 98 98 50537 1 . LEU 99 99 50537 1 . ARG 100 100 50537 1 . ARG 101 101 50537 1 . GLU 102 102 50537 1 . PRO 103 103 50537 1 . PRO 104 104 50537 1 . HIS 105 105 50537 1 . CYS 106 106 50537 1 . PRO 107 107 50537 1 . ASN 108 108 50537 1 . SER 109 109 50537 1 . PHE 110 110 50537 1 . ARG 111 111 50537 1 . LEU 112 112 50537 1 . GLU 113 113 50537 1 . LYS 114 114 50537 1 . ILE 115 115 50537 1 . LEU 116 116 50537 1 . VAL 117 117 50537 1 . SER 118 118 50537 1 . VAL 119 119 50537 1 . GLY 120 120 50537 1 . CYS 121 121 50537 1 . THR 122 122 50537 1 . CYS 123 123 50537 1 . VAL 124 124 50537 1 . THR 125 125 50537 1 . PRO 126 126 50537 1 . ILE 127 127 50537 1 . VAL 128 128 50537 1 . HIS 129 129 50537 1 . HIS 130 130 50537 1 . VAL 131 131 50537 1 . ALA 132 132 50537 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50537 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . IL17A . 50537 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50537 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 PLysS . plasmid . . pET32 . . . 50537 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50537 _Sample.ID 1 _Sample.Name '15N IL17A' _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM 15N IL-17A Dimer in 20mM sodium phosphate, 100mM sodium chloride, 0.02% sodium azide. pH 6.0.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'IL-17A dimer' [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 50537 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50537 _Sample.ID 2 _Sample.Name 'dCN IL17A' _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM 15N/13C/2H IL-17A Dimer in 20mM sodium phosphate, 100mM sodium chloride, 0.02% sodium azide. pH 6.0.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'IL-17A dimer' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 400 . . uM . . . . 50537 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50537 _Sample.ID 3 _Sample.Name 'dN IL17A' _Sample.Type solution _Sample.Sub_type . _Sample.Details '450 uM 15N/2H IL-17A Dimer in 20mM sodium phosphate, 100mM sodium chloride, 0.02% sodium azide. pH 6.0.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'IL-17A dimer' '[U-15N; U-2H]' . . 1 $entity_1 . . 450 . . uM . . . . 50537 3 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 50537 _Sample_condition_list.ID 1 _Sample_condition_list.Name Standard _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' 140 . mM 50537 1 pH 6 . pH 50537 1 pressure 1 . atm 50537 1 temperature 308 . K 50537 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50537 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Data acquisition and processing' . 50537 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50537 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Data processing' . 50537 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50537 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50537 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50537 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50537 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50537 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50537 1 2 '3D TROSY-HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50537 1 3 '3D TROSY- HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50537 1 4 '3D TROSY-HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50537 1 5 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50537 1 6 '3D 15N/1H NOESY-HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50537 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50537 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ref Set 1' _Chem_shift_reference.Details ; No correction factor has been applied to correct for the deuterium effect on the carbon chemical shifts TROSY spectra were corrected to the HSQC chemical shifts ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50537 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . temperature . 50537 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50537 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50537 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name IL-17A _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2H isotope effect: backbone CA, CB.' _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' . . . 50537 1 2 '3D TROSY-HNCA' . . . 50537 1 3 '3D TROSY- HNCACB' . . . 50537 1 4 '3D TROSY-HNCO' . . . 50537 1 5 '3D TROSY-HN(CO)CACB' . . . 50537 1 6 '3D 15N/1H NOESY-HSQC' . . . 50537 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 3 $software_3 . . 50537 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE C C 13 176.359 0.00 . 1 . . . . . 25 ILE C . 50537 1 2 . 1 . 1 2 2 ILE CA C 13 60.873 0.00 . 1 . . . . . 25 ILE CA . 50537 1 3 . 1 . 1 2 2 ILE CB C 13 38.216 0.00 . 1 . . . . . 25 ILE CB . 50537 1 4 . 1 . 1 3 3 THR H H 1 8.261 0.00 . 1 . . . . . 26 THR H . 50537 1 5 . 1 . 1 3 3 THR C C 13 173.965 0.00 . 1 . . . . . 26 THR C . 50537 1 6 . 1 . 1 3 3 THR CA C 13 61.466 0.02 . 1 . . . . . 26 THR CA . 50537 1 7 . 1 . 1 3 3 THR CB C 13 69.379 0.00 . 1 . . . . . 26 THR CB . 50537 1 8 . 1 . 1 3 3 THR N N 15 119.969 0.01 . 1 . . . . . 26 THR N . 50537 1 9 . 1 . 1 4 4 ILE H H 1 8.207 0.00 . 1 . . . . . 27 ILE H . 50537 1 10 . 1 . 1 4 4 ILE CA C 13 58.046 0.01 . 1 . . . . . 27 ILE CA . 50537 1 11 . 1 . 1 4 4 ILE CB C 13 37.720 0.00 . 1 . . . . . 27 ILE CB . 50537 1 12 . 1 . 1 4 4 ILE N N 15 126.219 0.02 . 1 . . . . . 27 ILE N . 50537 1 13 . 1 . 1 5 5 PRO C C 13 176.595 0.00 . 1 . . . . . 28 PRO C . 50537 1 14 . 1 . 1 5 5 PRO CA C 13 62.648 0.01 . 1 . . . . . 28 PRO CA . 50537 1 15 . 1 . 1 5 5 PRO CB C 13 31.251 0.01 . 1 . . . . . 28 PRO CB . 50537 1 16 . 1 . 1 6 6 ARG H H 1 8.253 0.00 . 1 . . . . . 29 ARG H . 50537 1 17 . 1 . 1 6 6 ARG C C 13 175.910 0.00 . 1 . . . . . 29 ARG C . 50537 1 18 . 1 . 1 6 6 ARG CA C 13 55.547 0.02 . 1 . . . . . 29 ARG CA . 50537 1 19 . 1 . 1 6 6 ARG CB C 13 30.031 0.01 . 1 . . . . . 29 ARG CB . 50537 1 20 . 1 . 1 6 6 ARG N N 15 121.488 0.01 . 1 . . . . . 29 ARG N . 50537 1 21 . 1 . 1 7 7 ASN H H 1 8.421 0.00 . 1 . . . . . 30 ASN H . 50537 1 22 . 1 . 1 7 7 ASN CA C 13 50.945 0.02 . 1 . . . . . 30 ASN CA . 50537 1 23 . 1 . 1 7 7 ASN CB C 13 38.462 0.00 . 1 . . . . . 30 ASN CB . 50537 1 24 . 1 . 1 7 7 ASN N N 15 121.088 0.01 . 1 . . . . . 30 ASN N . 50537 1 25 . 1 . 1 8 8 PRO C C 13 177.283 0.00 . 1 . . . . . 31 PRO C . 50537 1 26 . 1 . 1 8 8 PRO CA C 13 63.336 0.03 . 1 . . . . . 31 PRO CA . 50537 1 27 . 1 . 1 8 8 PRO CB C 13 31.184 0.01 . 1 . . . . . 31 PRO CB . 50537 1 28 . 1 . 1 9 9 GLY H H 1 8.301 0.01 . 1 . . . . . 32 GLY H . 50537 1 29 . 1 . 1 9 9 GLY C C 13 173.995 0.00 . 1 . . . . . 32 GLY C . 50537 1 30 . 1 . 1 9 9 GLY CA C 13 44.697 0.01 . 1 . . . . . 32 GLY CA . 50537 1 31 . 1 . 1 9 9 GLY N N 15 108.078 0.04 . 1 . . . . . 32 GLY N . 50537 1 32 . 1 . 1 10 10 CYS H H 1 8.097 0.00 . 1 . . . . . 33 CYS H . 50537 1 33 . 1 . 1 10 10 CYS CA C 13 53.005 0.00 . 1 . . . . . 33 CYS CA . 50537 1 34 . 1 . 1 10 10 CYS CB C 13 40.029 0.00 . 1 . . . . . 33 CYS CB . 50537 1 35 . 1 . 1 10 10 CYS N N 15 119.499 0.05 . 1 . . . . . 33 CYS N . 50537 1 36 . 1 . 1 11 11 PRO C C 13 176.663 0.00 . 1 . . . . . 34 PRO C . 50537 1 37 . 1 . 1 11 11 PRO CA C 13 63.220 0.02 . 1 . . . . . 34 PRO CA . 50537 1 38 . 1 . 1 11 11 PRO CB C 13 31.197 0.03 . 1 . . . . . 34 PRO CB . 50537 1 39 . 1 . 1 12 12 ASN H H 1 8.460 0.00 . 1 . . . . . 35 ASN H . 50537 1 40 . 1 . 1 12 12 ASN C C 13 175.495 0.00 . 1 . . . . . 35 ASN C . 50537 1 41 . 1 . 1 12 12 ASN CA C 13 52.969 0.02 . 1 . . . . . 35 ASN CA . 50537 1 42 . 1 . 1 12 12 ASN CB C 13 38.358 0.02 . 1 . . . . . 35 ASN CB . 50537 1 43 . 1 . 1 12 12 ASN N N 15 118.762 0.02 . 1 . . . . . 35 ASN N . 50537 1 44 . 1 . 1 13 13 SER H H 1 8.213 0.00 . 1 . . . . . 36 SER H . 50537 1 45 . 1 . 1 13 13 SER C C 13 174.913 0.00 . 1 . . . . . 36 SER C . 50537 1 46 . 1 . 1 13 13 SER CA C 13 58.519 0.02 . 1 . . . . . 36 SER CA . 50537 1 47 . 1 . 1 13 13 SER CB C 13 63.216 0.02 . 1 . . . . . 36 SER CB . 50537 1 48 . 1 . 1 13 13 SER N N 15 116.523 0.02 . 1 . . . . . 36 SER N . 50537 1 49 . 1 . 1 14 14 GLU H H 1 8.442 0.01 . 1 . . . . . 37 GLU H . 50537 1 50 . 1 . 1 14 14 GLU C C 13 176.526 0.00 . 1 . . . . . 37 GLU C . 50537 1 51 . 1 . 1 14 14 GLU CA C 13 56.657 0.01 . 1 . . . . . 37 GLU CA . 50537 1 52 . 1 . 1 14 14 GLU CB C 13 29.308 0.02 . 1 . . . . . 37 GLU CB . 50537 1 53 . 1 . 1 14 14 GLU N N 15 122.501 0.02 . 1 . . . . . 37 GLU N . 50537 1 54 . 1 . 1 15 15 ASP H H 1 8.222 0.01 . 1 . . . . . 38 ASP H . 50537 1 55 . 1 . 1 15 15 ASP C C 13 176.242 0.00 . 1 . . . . . 38 ASP C . 50537 1 56 . 1 . 1 15 15 ASP CA C 13 54.429 0.08 . 1 . . . . . 38 ASP CA . 50537 1 57 . 1 . 1 15 15 ASP CB C 13 40.595 0.08 . 1 . . . . . 38 ASP CB . 50537 1 58 . 1 . 1 15 15 ASP N N 15 120.917 0.04 . 1 . . . . . 38 ASP N . 50537 1 59 . 1 . 1 16 16 LYS H H 1 8.084 0.01 . 1 . . . . . 39 LYS H . 50537 1 60 . 1 . 1 16 16 LYS C C 13 176.619 0.00 . 1 . . . . . 39 LYS C . 50537 1 61 . 1 . 1 16 16 LYS CA C 13 56.360 0.04 . 1 . . . . . 39 LYS CA . 50537 1 62 . 1 . 1 16 16 LYS CB C 13 31.605 0.01 . 1 . . . . . 39 LYS CB . 50537 1 63 . 1 . 1 16 16 LYS N N 15 121.140 0.04 . 1 . . . . . 39 LYS N . 50537 1 64 . 1 . 1 17 17 ASN H H 1 8.234 0.01 . 1 . . . . . 40 ASN H . 50537 1 65 . 1 . 1 17 17 ASN CA C 13 53.031 0.00 . 1 . . . . . 40 ASN CA . 50537 1 66 . 1 . 1 17 17 ASN CB C 13 38.501 0.00 . 1 . . . . . 40 ASN CB . 50537 1 67 . 1 . 1 17 17 ASN N N 15 118.050 0.05 . 1 . . . . . 40 ASN N . 50537 1 68 . 1 . 1 33 33 THR C C 13 174.517 0.00 . 1 . . . . . 56 THR C . 50537 1 69 . 1 . 1 33 33 THR CA C 13 61.658 0.04 . 1 . . . . . 56 THR CA . 50537 1 70 . 1 . 1 33 33 THR CB C 13 69.094 0.02 . 1 . . . . . 56 THR CB . 50537 1 71 . 1 . 1 34 34 ASN H H 1 8.405 0.00 . 1 . . . . . 57 ASN H . 50537 1 72 . 1 . 1 34 34 ASN C C 13 175.412 0.00 . 1 . . . . . 57 ASN C . 50537 1 73 . 1 . 1 34 34 ASN CA C 13 53.117 0.03 . 1 . . . . . 57 ASN CA . 50537 1 74 . 1 . 1 34 34 ASN CB C 13 38.239 0.01 . 1 . . . . . 57 ASN CB . 50537 1 75 . 1 . 1 34 34 ASN N N 15 121.078 0.02 . 1 . . . . . 57 ASN N . 50537 1 76 . 1 . 1 35 35 THR H H 1 8.022 0.00 . 1 . . . . . 58 THR H . 50537 1 77 . 1 . 1 35 35 THR C C 13 174.141 0.00 . 1 . . . . . 58 THR C . 50537 1 78 . 1 . 1 35 35 THR CA C 13 61.573 0.04 . 1 . . . . . 58 THR CA . 50537 1 79 . 1 . 1 35 35 THR CB C 13 69.098 0.00 . 1 . . . . . 58 THR CB . 50537 1 80 . 1 . 1 35 35 THR N N 15 114.139 0.05 . 1 . . . . . 58 THR N . 50537 1 81 . 1 . 1 36 36 ASN H H 1 8.284 0.01 . 1 . . . . . 59 ASN H . 50537 1 82 . 1 . 1 36 36 ASN CA C 13 51.111 0.01 . 1 . . . . . 59 ASN CA . 50537 1 83 . 1 . 1 36 36 ASN CB C 13 38.190 0.00 . 1 . . . . . 59 ASN CB . 50537 1 84 . 1 . 1 36 36 ASN N N 15 121.744 0.05 . 1 . . . . . 59 ASN N . 50537 1 85 . 1 . 1 37 37 PRO C C 13 177.195 0.00 . 1 . . . . . 60 PRO C . 50537 1 86 . 1 . 1 37 37 PRO CA C 13 63.160 0.04 . 1 . . . . . 60 PRO CA . 50537 1 87 . 1 . 1 37 37 PRO CB C 13 31.184 0.01 . 1 . . . . . 60 PRO CB . 50537 1 88 . 1 . 1 38 38 LYS H H 1 8.127 0.00 . 1 . . . . . 61 LYS H . 50537 1 89 . 1 . 1 38 38 LYS C C 13 177.013 0.00 . 1 . . . . . 61 LYS C . 50537 1 90 . 1 . 1 38 38 LYS CA C 13 56.327 0.02 . 1 . . . . . 61 LYS CA . 50537 1 91 . 1 . 1 38 38 LYS CB C 13 31.534 0.04 . 1 . . . . . 61 LYS CB . 50537 1 92 . 1 . 1 38 38 LYS N N 15 120.612 0.03 . 1 . . . . . 61 LYS N . 50537 1 93 . 1 . 1 39 39 ARG H H 1 8.034 0.00 . 1 . . . . . 62 ARG H . 50537 1 94 . 1 . 1 39 39 ARG C C 13 176.520 0.00 . 1 . . . . . 62 ARG C . 50537 1 95 . 1 . 1 39 39 ARG CA C 13 55.781 0.06 . 1 . . . . . 62 ARG CA . 50537 1 96 . 1 . 1 39 39 ARG CB C 13 29.723 0.08 . 1 . . . . . 62 ARG CB . 50537 1 97 . 1 . 1 39 39 ARG N N 15 121.124 0.04 . 1 . . . . . 62 ARG N . 50537 1 98 . 1 . 1 40 40 SER H H 1 8.084 0.01 . 1 . . . . . 63 SER H . 50537 1 99 . 1 . 1 40 40 SER C C 13 174.653 0.00 . 1 . . . . . 63 SER C . 50537 1 100 . 1 . 1 40 40 SER CA C 13 58.107 0.04 . 1 . . . . . 63 SER CA . 50537 1 101 . 1 . 1 40 40 SER CB C 13 63.244 0.03 . 1 . . . . . 63 SER CB . 50537 1 102 . 1 . 1 40 40 SER N N 15 116.268 0.04 . 1 . . . . . 63 SER N . 50537 1 103 . 1 . 1 41 41 SER H H 1 8.004 0.01 . 1 . . . . . 64 SER H . 50537 1 104 . 1 . 1 41 41 SER C C 13 174.449 0.00 . 1 . . . . . 64 SER C . 50537 1 105 . 1 . 1 41 41 SER CA C 13 58.113 0.02 . 1 . . . . . 64 SER CA . 50537 1 106 . 1 . 1 41 41 SER CB C 13 63.172 0.01 . 1 . . . . . 64 SER CB . 50537 1 107 . 1 . 1 41 41 SER N N 15 116.833 0.03 . 1 . . . . . 64 SER N . 50537 1 108 . 1 . 1 42 42 ASP H H 1 8.072 0.01 . 1 . . . . . 65 ASP H . 50537 1 109 . 1 . 1 42 42 ASP C C 13 177.862 0.00 . 1 . . . . . 65 ASP C . 50537 1 110 . 1 . 1 42 42 ASP CA C 13 53.331 0.03 . 1 . . . . . 65 ASP CA . 50537 1 111 . 1 . 1 42 42 ASP CB C 13 39.530 0.01 . 1 . . . . . 65 ASP CB . 50537 1 112 . 1 . 1 42 42 ASP N N 15 121.138 0.04 . 1 . . . . . 65 ASP N . 50537 1 113 . 1 . 1 43 43 TYR H H 1 7.597 0.01 . 1 . . . . . 66 TYR H . 50537 1 114 . 1 . 1 43 43 TYR C C 13 176.442 0.00 . 1 . . . . . 66 TYR C . 50537 1 115 . 1 . 1 43 43 TYR CA C 13 58.126 0.01 . 1 . . . . . 66 TYR CA . 50537 1 116 . 1 . 1 43 43 TYR CB C 13 35.726 0.01 . 1 . . . . . 66 TYR CB . 50537 1 117 . 1 . 1 43 43 TYR N N 15 120.243 0.02 . 1 . . . . . 66 TYR N . 50537 1 118 . 1 . 1 44 44 TYR H H 1 7.313 0.01 . 1 . . . . . 67 TYR H . 50537 1 119 . 1 . 1 44 44 TYR C C 13 174.284 0.00 . 1 . . . . . 67 TYR C . 50537 1 120 . 1 . 1 44 44 TYR CA C 13 57.847 0.04 . 1 . . . . . 67 TYR CA . 50537 1 121 . 1 . 1 44 44 TYR CB C 13 33.665 0.04 . 1 . . . . . 67 TYR CB . 50537 1 122 . 1 . 1 44 44 TYR N N 15 115.287 0.03 . 1 . . . . . 67 TYR N . 50537 1 123 . 1 . 1 45 45 ASN H H 1 6.224 0.01 . 1 . . . . . 68 ASN H . 50537 1 124 . 1 . 1 45 45 ASN C C 13 176.783 0.00 . 1 . . . . . 68 ASN C . 50537 1 125 . 1 . 1 45 45 ASN CA C 13 52.356 0.03 . 1 . . . . . 68 ASN CA . 50537 1 126 . 1 . 1 45 45 ASN CB C 13 39.234 0.01 . 1 . . . . . 68 ASN CB . 50537 1 127 . 1 . 1 45 45 ASN N N 15 114.823 0.02 . 1 . . . . . 68 ASN N . 50537 1 128 . 1 . 1 46 46 ARG H H 1 7.260 0.01 . 1 . . . . . 69 ARG H . 50537 1 129 . 1 . 1 46 46 ARG C C 13 175.270 0.00 . 1 . . . . . 69 ARG C . 50537 1 130 . 1 . 1 46 46 ARG CA C 13 55.873 0.00 . 1 . . . . . 69 ARG CA . 50537 1 131 . 1 . 1 46 46 ARG CB C 13 30.690 0.00 . 1 . . . . . 69 ARG CB . 50537 1 132 . 1 . 1 46 46 ARG N N 15 117.430 0.03 . 1 . . . . . 69 ARG N . 50537 1 133 . 1 . 1 47 47 SER H H 1 7.021 0.01 . 1 . . . . . 70 SER H . 50537 1 134 . 1 . 1 47 47 SER C C 13 175.943 0.00 . 1 . . . . . 70 SER C . 50537 1 135 . 1 . 1 47 47 SER CA C 13 56.072 0.03 . 1 . . . . . 70 SER CA . 50537 1 136 . 1 . 1 47 47 SER CB C 13 62.620 0.00 . 1 . . . . . 70 SER CB . 50537 1 137 . 1 . 1 47 47 SER N N 15 112.514 0.05 . 1 . . . . . 70 SER N . 50537 1 138 . 1 . 1 48 48 THR H H 1 9.098 0.00 . 1 . . . . . 71 THR H . 50537 1 139 . 1 . 1 48 48 THR C C 13 174.132 0.00 . 1 . . . . . 71 THR C . 50537 1 140 . 1 . 1 48 48 THR CA C 13 63.011 0.05 . 1 . . . . . 71 THR CA . 50537 1 141 . 1 . 1 48 48 THR CB C 13 68.822 0.01 . 1 . . . . . 71 THR CB . 50537 1 142 . 1 . 1 48 48 THR N N 15 116.897 0.05 . 1 . . . . . 71 THR N . 50537 1 143 . 1 . 1 49 49 SER H H 1 9.128 0.01 . 1 . . . . . 72 SER H . 50537 1 144 . 1 . 1 49 49 SER CA C 13 52.536 0.01 . 1 . . . . . 72 SER CA . 50537 1 145 . 1 . 1 49 49 SER CB C 13 65.806 0.00 . 1 . . . . . 72 SER CB . 50537 1 146 . 1 . 1 49 49 SER N N 15 115.633 0.03 . 1 . . . . . 72 SER N . 50537 1 147 . 1 . 1 50 50 PRO C C 13 176.257 0.00 . 1 . . . . . 73 PRO C . 50537 1 148 . 1 . 1 50 50 PRO CA C 13 63.458 0.02 . 1 . . . . . 73 PRO CA . 50537 1 149 . 1 . 1 50 50 PRO CB C 13 33.037 0.00 . 1 . . . . . 73 PRO CB . 50537 1 150 . 1 . 1 51 51 TRP H H 1 8.489 0.01 . 1 . . . . . 74 TRP H . 50537 1 151 . 1 . 1 51 51 TRP C C 13 172.499 0.00 . 1 . . . . . 74 TRP C . 50537 1 152 . 1 . 1 51 51 TRP CA C 13 56.412 0.01 . 1 . . . . . 74 TRP CA . 50537 1 153 . 1 . 1 51 51 TRP CB C 13 33.019 0.00 . 1 . . . . . 74 TRP CB . 50537 1 154 . 1 . 1 51 51 TRP N N 15 117.048 0.03 . 1 . . . . . 74 TRP N . 50537 1 155 . 1 . 1 52 52 ASN H H 1 8.622 0.00 . 1 . . . . . 75 ASN H . 50537 1 156 . 1 . 1 52 52 ASN C C 13 174.974 0.00 . 1 . . . . . 75 ASN C . 50537 1 157 . 1 . 1 52 52 ASN CA C 13 50.811 0.02 . 1 . . . . . 75 ASN CA . 50537 1 158 . 1 . 1 52 52 ASN CB C 13 40.688 0.00 . 1 . . . . . 75 ASN CB . 50537 1 159 . 1 . 1 52 52 ASN N N 15 115.404 0.04 . 1 . . . . . 75 ASN N . 50537 1 160 . 1 . 1 53 53 LEU H H 1 8.593 0.00 . 1 . . . . . 76 LEU H . 50537 1 161 . 1 . 1 53 53 LEU C C 13 176.604 0.00 . 1 . . . . . 76 LEU C . 50537 1 162 . 1 . 1 53 53 LEU CA C 13 53.640 0.02 . 1 . . . . . 76 LEU CA . 50537 1 163 . 1 . 1 53 53 LEU CB C 13 43.419 0.03 . 1 . . . . . 76 LEU CB . 50537 1 164 . 1 . 1 53 53 LEU N N 15 121.545 0.03 . 1 . . . . . 76 LEU N . 50537 1 165 . 1 . 1 54 54 HIS H H 1 9.512 0.01 . 1 . . . . . 77 HIS H . 50537 1 166 . 1 . 1 54 54 HIS C C 13 173.825 0.00 . 1 . . . . . 77 HIS C . 50537 1 167 . 1 . 1 54 54 HIS CA C 13 54.704 0.02 . 1 . . . . . 77 HIS CA . 50537 1 168 . 1 . 1 54 54 HIS CB C 13 31.956 0.01 . 1 . . . . . 77 HIS CB . 50537 1 169 . 1 . 1 54 54 HIS N N 15 122.805 0.08 . 1 . . . . . 77 HIS N . 50537 1 170 . 1 . 1 55 55 ARG H H 1 8.514 0.01 . 1 . . . . . 78 ARG H . 50537 1 171 . 1 . 1 55 55 ARG C C 13 174.098 0.00 . 1 . . . . . 78 ARG C . 50537 1 172 . 1 . 1 55 55 ARG CA C 13 56.407 0.02 . 1 . . . . . 78 ARG CA . 50537 1 173 . 1 . 1 55 55 ARG CB C 13 29.936 0.01 . 1 . . . . . 78 ARG CB . 50537 1 174 . 1 . 1 55 55 ARG N N 15 127.381 0.02 . 1 . . . . . 78 ARG N . 50537 1 175 . 1 . 1 56 56 ASN H H 1 8.358 0.00 . 1 . . . . . 79 ASN H . 50537 1 176 . 1 . 1 56 56 ASN C C 13 173.860 0.00 . 1 . . . . . 79 ASN C . 50537 1 177 . 1 . 1 56 56 ASN CA C 13 51.934 0.02 . 1 . . . . . 79 ASN CA . 50537 1 178 . 1 . 1 56 56 ASN CB C 13 38.313 0.00 . 1 . . . . . 79 ASN CB . 50537 1 179 . 1 . 1 56 56 ASN N N 15 127.429 0.03 . 1 . . . . . 79 ASN N . 50537 1 180 . 1 . 1 57 57 GLU H H 1 8.628 0.01 . 1 . . . . . 80 GLU H . 50537 1 181 . 1 . 1 57 57 GLU C C 13 175.073 0.00 . 1 . . . . . 80 GLU C . 50537 1 182 . 1 . 1 57 57 GLU CA C 13 53.821 0.01 . 1 . . . . . 80 GLU CA . 50537 1 183 . 1 . 1 57 57 GLU CB C 13 31.600 0.02 . 1 . . . . . 80 GLU CB . 50537 1 184 . 1 . 1 57 57 GLU N N 15 127.319 0.04 . 1 . . . . . 80 GLU N . 50537 1 185 . 1 . 1 58 58 ASP H H 1 8.662 0.01 . 1 . . . . . 81 ASP H . 50537 1 186 . 1 . 1 58 58 ASP CA C 13 50.388 0.01 . 1 . . . . . 81 ASP CA . 50537 1 187 . 1 . 1 58 58 ASP CB C 13 42.421 0.00 . 1 . . . . . 81 ASP CB . 50537 1 188 . 1 . 1 58 58 ASP N N 15 125.191 0.02 . 1 . . . . . 81 ASP N . 50537 1 189 . 1 . 1 59 59 PRO C C 13 177.950 0.00 . 1 . . . . . 82 PRO C . 50537 1 190 . 1 . 1 59 59 PRO CA C 13 63.676 0.01 . 1 . . . . . 82 PRO CA . 50537 1 191 . 1 . 1 59 59 PRO CB C 13 31.655 0.02 . 1 . . . . . 82 PRO CB . 50537 1 192 . 1 . 1 60 60 GLU H H 1 8.184 0.01 . 1 . . . . . 83 GLU H . 50537 1 193 . 1 . 1 60 60 GLU C C 13 173.071 0.00 . 1 . . . . . 83 GLU C . 50537 1 194 . 1 . 1 60 60 GLU CA C 13 55.235 0.03 . 1 . . . . . 83 GLU CA . 50537 1 195 . 1 . 1 60 60 GLU CB C 13 29.009 0.04 . 1 . . . . . 83 GLU CB . 50537 1 196 . 1 . 1 60 60 GLU N N 15 117.817 0.02 . 1 . . . . . 83 GLU N . 50537 1 197 . 1 . 1 61 61 ARG H H 1 7.630 0.01 . 1 . . . . . 84 ARG H . 50537 1 198 . 1 . 1 61 61 ARG C C 13 174.178 0.00 . 1 . . . . . 84 ARG C . 50537 1 199 . 1 . 1 61 61 ARG CA C 13 52.928 0.02 . 1 . . . . . 84 ARG CA . 50537 1 200 . 1 . 1 61 61 ARG CB C 13 34.693 0.02 . 1 . . . . . 84 ARG CB . 50537 1 201 . 1 . 1 61 61 ARG N N 15 122.963 0.03 . 1 . . . . . 84 ARG N . 50537 1 202 . 1 . 1 62 62 TYR H H 1 9.134 0.01 . 1 . . . . . 85 TYR H . 50537 1 203 . 1 . 1 62 62 TYR CA C 13 54.499 0.01 . 1 . . . . . 85 TYR CA . 50537 1 204 . 1 . 1 62 62 TYR CB C 13 40.496 0.00 . 1 . . . . . 85 TYR CB . 50537 1 205 . 1 . 1 62 62 TYR N N 15 125.153 0.05 . 1 . . . . . 85 TYR N . 50537 1 206 . 1 . 1 63 63 PRO C C 13 176.792 0.06 . 1 . . . . . 86 PRO C . 50537 1 207 . 1 . 1 63 63 PRO CA C 13 61.770 0.03 . 1 . . . . . 86 PRO CA . 50537 1 208 . 1 . 1 63 63 PRO CB C 13 33.375 0.02 . 1 . . . . . 86 PRO CB . 50537 1 209 . 1 . 1 64 64 SER H H 1 8.864 0.03 . 1 . . . . . 87 SER H . 50537 1 210 . 1 . 1 64 64 SER C C 13 176.051 0.00 . 1 . . . . . 87 SER C . 50537 1 211 . 1 . 1 64 64 SER CA C 13 60.279 0.04 . 1 . . . . . 87 SER CA . 50537 1 212 . 1 . 1 64 64 SER CB C 13 62.913 0.01 . 1 . . . . . 87 SER CB . 50537 1 213 . 1 . 1 64 64 SER N N 15 120.746 0.19 . 1 . . . . . 87 SER N . 50537 1 214 . 1 . 1 65 65 VAL H H 1 7.782 0.01 . 1 . . . . . 88 VAL H . 50537 1 215 . 1 . 1 65 65 VAL C C 13 174.480 0.00 . 1 . . . . . 88 VAL C . 50537 1 216 . 1 . 1 65 65 VAL CA C 13 61.304 0.02 . 1 . . . . . 88 VAL CA . 50537 1 217 . 1 . 1 65 65 VAL CB C 13 32.276 0.03 . 1 . . . . . 88 VAL CB . 50537 1 218 . 1 . 1 65 65 VAL N N 15 122.451 0.05 . 1 . . . . . 88 VAL N . 50537 1 219 . 1 . 1 66 66 ILE H H 1 8.460 0.01 . 1 . . . . . 89 ILE H . 50537 1 220 . 1 . 1 66 66 ILE C C 13 173.853 0.00 . 1 . . . . . 89 ILE C . 50537 1 221 . 1 . 1 66 66 ILE CA C 13 59.316 0.02 . 1 . . . . . 89 ILE CA . 50537 1 222 . 1 . 1 66 66 ILE CB C 13 41.264 0.01 . 1 . . . . . 89 ILE CB . 50537 1 223 . 1 . 1 66 66 ILE N N 15 126.851 0.06 . 1 . . . . . 89 ILE N . 50537 1 224 . 1 . 1 67 67 TRP H H 1 8.638 0.01 . 1 . . . . . 90 TRP H . 50537 1 225 . 1 . 1 67 67 TRP C C 13 175.603 0.00 . 1 . . . . . 90 TRP C . 50537 1 226 . 1 . 1 67 67 TRP CA C 13 55.826 0.01 . 1 . . . . . 90 TRP CA . 50537 1 227 . 1 . 1 67 67 TRP CB C 13 29.179 0.02 . 1 . . . . . 90 TRP CB . 50537 1 228 . 1 . 1 67 67 TRP N N 15 126.989 0.08 . 1 . . . . . 90 TRP N . 50537 1 229 . 1 . 1 68 68 GLU H H 1 9.040 0.01 . 1 . . . . . 91 GLU H . 50537 1 230 . 1 . 1 68 68 GLU C C 13 175.591 0.00 . 1 . . . . . 91 GLU C . 50537 1 231 . 1 . 1 68 68 GLU CA C 13 54.792 0.02 . 1 . . . . . 91 GLU CA . 50537 1 232 . 1 . 1 68 68 GLU CB C 13 33.053 0.04 . 1 . . . . . 91 GLU CB . 50537 1 233 . 1 . 1 68 68 GLU N N 15 123.073 0.02 . 1 . . . . . 91 GLU N . 50537 1 234 . 1 . 1 69 69 ALA H H 1 7.972 0.01 . 1 . . . . . 92 ALA H . 50537 1 235 . 1 . 1 69 69 ALA C C 13 177.483 0.00 . 1 . . . . . 92 ALA C . 50537 1 236 . 1 . 1 69 69 ALA CA C 13 50.641 0.02 . 1 . . . . . 92 ALA CA . 50537 1 237 . 1 . 1 69 69 ALA CB C 13 20.018 0.02 . 1 . . . . . 92 ALA CB . 50537 1 238 . 1 . 1 69 69 ALA N N 15 124.304 0.02 . 1 . . . . . 92 ALA N . 50537 1 239 . 1 . 1 70 70 LYS H H 1 8.598 0.01 . 1 . . . . . 93 LYS H . 50537 1 240 . 1 . 1 70 70 LYS C C 13 176.444 0.00 . 1 . . . . . 93 LYS C . 50537 1 241 . 1 . 1 70 70 LYS CA C 13 54.589 0.02 . 1 . . . . . 93 LYS CA . 50537 1 242 . 1 . 1 70 70 LYS CB C 13 33.948 0.04 . 1 . . . . . 93 LYS CB . 50537 1 243 . 1 . 1 70 70 LYS N N 15 120.818 0.03 . 1 . . . . . 93 LYS N . 50537 1 244 . 1 . 1 71 71 CYS H H 1 9.003 0.01 . 1 . . . . . 94 CYS H . 50537 1 245 . 1 . 1 71 71 CYS C C 13 175.481 0.00 . 1 . . . . . 94 CYS C . 50537 1 246 . 1 . 1 71 71 CYS CA C 13 54.830 0.04 . 1 . . . . . 94 CYS CA . 50537 1 247 . 1 . 1 71 71 CYS CB C 13 36.620 0.01 . 1 . . . . . 94 CYS CB . 50537 1 248 . 1 . 1 71 71 CYS N N 15 124.283 0.02 . 1 . . . . . 94 CYS N . 50537 1 249 . 1 . 1 72 72 ARG H H 1 8.635 0.01 . 1 . . . . . 95 ARG H . 50537 1 250 . 1 . 1 72 72 ARG C C 13 175.720 0.00 . 1 . . . . . 95 ARG C . 50537 1 251 . 1 . 1 72 72 ARG CA C 13 59.061 0.02 . 1 . . . . . 95 ARG CA . 50537 1 252 . 1 . 1 72 72 ARG CB C 13 30.643 0.01 . 1 . . . . . 95 ARG CB . 50537 1 253 . 1 . 1 72 72 ARG N N 15 124.398 0.07 . 1 . . . . . 95 ARG N . 50537 1 254 . 1 . 1 73 73 HIS H H 1 8.965 0.00 . 1 . . . . . 96 HIS H . 50537 1 255 . 1 . 1 73 73 HIS C C 13 175.401 0.00 . 1 . . . . . 96 HIS C . 50537 1 256 . 1 . 1 73 73 HIS CA C 13 52.896 0.02 . 1 . . . . . 96 HIS CA . 50537 1 257 . 1 . 1 73 73 HIS CB C 13 32.800 0.00 . 1 . . . . . 96 HIS CB . 50537 1 258 . 1 . 1 73 73 HIS N N 15 116.190 0.02 . 1 . . . . . 96 HIS N . 50537 1 259 . 1 . 1 74 74 LEU H H 1 8.791 0.01 . 1 . . . . . 97 LEU H . 50537 1 260 . 1 . 1 74 74 LEU C C 13 180.838 0.00 . 1 . . . . . 97 LEU C . 50537 1 261 . 1 . 1 74 74 LEU CA C 13 56.688 0.02 . 1 . . . . . 97 LEU CA . 50537 1 262 . 1 . 1 74 74 LEU CB C 13 41.582 0.02 . 1 . . . . . 97 LEU CB . 50537 1 263 . 1 . 1 74 74 LEU N N 15 119.446 0.04 . 1 . . . . . 97 LEU N . 50537 1 264 . 1 . 1 75 75 GLY H H 1 6.422 0.01 . 1 . . . . . 98 GLY H . 50537 1 265 . 1 . 1 75 75 GLY C C 13 172.789 0.00 . 1 . . . . . 98 GLY C . 50537 1 266 . 1 . 1 75 75 GLY CA C 13 43.772 0.01 . 1 . . . . . 98 GLY CA . 50537 1 267 . 1 . 1 75 75 GLY N N 15 104.094 0.02 . 1 . . . . . 98 GLY N . 50537 1 268 . 1 . 1 76 76 CYS H H 1 7.432 0.00 . 1 . . . . . 99 CYS H . 50537 1 269 . 1 . 1 76 76 CYS C C 13 172.369 0.00 . 1 . . . . . 99 CYS C . 50537 1 270 . 1 . 1 76 76 CYS CA C 13 52.839 0.02 . 1 . . . . . 99 CYS CA . 50537 1 271 . 1 . 1 76 76 CYS CB C 13 44.788 0.01 . 1 . . . . . 99 CYS CB . 50537 1 272 . 1 . 1 76 76 CYS N N 15 114.620 0.02 . 1 . . . . . 99 CYS N . 50537 1 273 . 1 . 1 77 77 ILE H H 1 9.790 0.01 . 1 . . . . . 100 ILE H . 50537 1 274 . 1 . 1 77 77 ILE C C 13 175.970 0.00 . 1 . . . . . 100 ILE C . 50537 1 275 . 1 . 1 77 77 ILE CA C 13 59.892 0.03 . 1 . . . . . 100 ILE CA . 50537 1 276 . 1 . 1 77 77 ILE CB C 13 37.225 0.05 . 1 . . . . . 100 ILE CB . 50537 1 277 . 1 . 1 77 77 ILE N N 15 123.967 0.02 . 1 . . . . . 100 ILE N . 50537 1 278 . 1 . 1 78 78 ASN H H 1 8.464 0.01 . 1 . . . . . 101 ASN H . 50537 1 279 . 1 . 1 78 78 ASN C C 13 177.511 0.00 . 1 . . . . . 101 ASN C . 50537 1 280 . 1 . 1 78 78 ASN CA C 13 50.672 0.03 . 1 . . . . . 101 ASN CA . 50537 1 281 . 1 . 1 78 78 ASN CB C 13 39.314 0.01 . 1 . . . . . 101 ASN CB . 50537 1 282 . 1 . 1 78 78 ASN N N 15 125.273 0.03 . 1 . . . . . 101 ASN N . 50537 1 283 . 1 . 1 79 79 ALA H H 1 8.349 0.01 . 1 . . . . . 102 ALA H . 50537 1 284 . 1 . 1 79 79 ALA C C 13 178.270 0.00 . 1 . . . . . 102 ALA C . 50537 1 285 . 1 . 1 79 79 ALA CA C 13 54.307 0.02 . 1 . . . . . 102 ALA CA . 50537 1 286 . 1 . 1 79 79 ALA CB C 13 17.794 0.01 . 1 . . . . . 102 ALA CB . 50537 1 287 . 1 . 1 79 79 ALA N N 15 121.011 0.01 . 1 . . . . . 102 ALA N . 50537 1 288 . 1 . 1 80 80 ASP H H 1 7.528 0.01 . 1 . . . . . 103 ASP H . 50537 1 289 . 1 . 1 80 80 ASP C C 13 176.430 0.00 . 1 . . . . . 103 ASP C . 50537 1 290 . 1 . 1 80 80 ASP CA C 13 53.894 0.04 . 1 . . . . . 103 ASP CA . 50537 1 291 . 1 . 1 80 80 ASP CB C 13 40.735 0.01 . 1 . . . . . 103 ASP CB . 50537 1 292 . 1 . 1 80 80 ASP N N 15 114.980 0.02 . 1 . . . . . 103 ASP N . 50537 1 293 . 1 . 1 81 81 GLY H H 1 8.039 0.01 . 1 . . . . . 104 GLY H . 50537 1 294 . 1 . 1 81 81 GLY C C 13 173.699 0.00 . 1 . . . . . 104 GLY C . 50537 1 295 . 1 . 1 81 81 GLY CA C 13 44.739 0.01 . 1 . . . . . 104 GLY CA . 50537 1 296 . 1 . 1 81 81 GLY N N 15 107.350 0.03 . 1 . . . . . 104 GLY N . 50537 1 297 . 1 . 1 82 82 ASN H H 1 7.652 0.00 . 1 . . . . . 105 ASN H . 50537 1 298 . 1 . 1 82 82 ASN C C 13 173.811 0.00 . 1 . . . . . 105 ASN C . 50537 1 299 . 1 . 1 82 82 ASN CA C 13 51.348 0.01 . 1 . . . . . 105 ASN CA . 50537 1 300 . 1 . 1 82 82 ASN CB C 13 39.693 0.01 . 1 . . . . . 105 ASN CB . 50537 1 301 . 1 . 1 82 82 ASN N N 15 118.298 0.03 . 1 . . . . . 105 ASN N . 50537 1 302 . 1 . 1 83 83 VAL H H 1 8.287 0.01 . 1 . . . . . 106 VAL H . 50537 1 303 . 1 . 1 83 83 VAL C C 13 174.432 0.00 . 1 . . . . . 106 VAL C . 50537 1 304 . 1 . 1 83 83 VAL CA C 13 62.814 0.01 . 1 . . . . . 106 VAL CA . 50537 1 305 . 1 . 1 83 83 VAL CB C 13 30.324 0.01 . 1 . . . . . 106 VAL CB . 50537 1 306 . 1 . 1 83 83 VAL N N 15 120.976 0.03 . 1 . . . . . 106 VAL N . 50537 1 307 . 1 . 1 84 84 ASP H H 1 8.955 0.01 . 1 . . . . . 107 ASP H . 50537 1 308 . 1 . 1 84 84 ASP C C 13 176.736 0.00 . 1 . . . . . 107 ASP C . 50537 1 309 . 1 . 1 84 84 ASP CA C 13 52.308 0.01 . 1 . . . . . 107 ASP CA . 50537 1 310 . 1 . 1 84 84 ASP CB C 13 41.766 0.01 . 1 . . . . . 107 ASP CB . 50537 1 311 . 1 . 1 84 84 ASP N N 15 128.825 0.02 . 1 . . . . . 107 ASP N . 50537 1 312 . 1 . 1 85 85 TYR H H 1 8.509 0.01 . 1 . . . . . 108 TYR H . 50537 1 313 . 1 . 1 85 85 TYR C C 13 176.847 0.00 . 1 . . . . . 108 TYR C . 50537 1 314 . 1 . 1 85 85 TYR CA C 13 59.241 0.02 . 1 . . . . . 108 TYR CA . 50537 1 315 . 1 . 1 85 85 TYR CB C 13 36.480 0.00 . 1 . . . . . 108 TYR CB . 50537 1 316 . 1 . 1 85 85 TYR N N 15 122.370 0.01 . 1 . . . . . 108 TYR N . 50537 1 317 . 1 . 1 86 86 HIS H H 1 9.005 0.01 . 1 . . . . . 109 HIS H . 50537 1 318 . 1 . 1 86 86 HIS C C 13 174.065 0.00 . 1 . . . . . 109 HIS C . 50537 1 319 . 1 . 1 86 86 HIS CA C 13 57.241 0.01 . 1 . . . . . 109 HIS CA . 50537 1 320 . 1 . 1 86 86 HIS CB C 13 27.457 0.01 . 1 . . . . . 109 HIS CB . 50537 1 321 . 1 . 1 86 86 HIS N N 15 119.186 0.02 . 1 . . . . . 109 HIS N . 50537 1 322 . 1 . 1 87 87 MET H H 1 7.151 0.01 . 1 . . . . . 110 MET H . 50537 1 323 . 1 . 1 87 87 MET C C 13 173.871 0.00 . 1 . . . . . 110 MET C . 50537 1 324 . 1 . 1 87 87 MET CA C 13 53.502 0.03 . 1 . . . . . 110 MET CA . 50537 1 325 . 1 . 1 87 87 MET CB C 13 34.209 0.01 . 1 . . . . . 110 MET CB . 50537 1 326 . 1 . 1 87 87 MET N N 15 116.434 0.03 . 1 . . . . . 110 MET N . 50537 1 327 . 1 . 1 88 88 ASN H H 1 8.509 0.01 . 1 . . . . . 111 ASN H . 50537 1 328 . 1 . 1 88 88 ASN C C 13 175.351 0.00 . 1 . . . . . 111 ASN C . 50537 1 329 . 1 . 1 88 88 ASN CA C 13 51.657 0.01 . 1 . . . . . 111 ASN CA . 50537 1 330 . 1 . 1 88 88 ASN CB C 13 42.185 0.00 . 1 . . . . . 111 ASN CB . 50537 1 331 . 1 . 1 88 88 ASN N N 15 114.357 0.02 . 1 . . . . . 111 ASN N . 50537 1 332 . 1 . 1 89 89 SER H H 1 7.654 0.01 . 1 . . . . . 112 SER H . 50537 1 333 . 1 . 1 89 89 SER C C 13 174.330 0.00 . 1 . . . . . 112 SER C . 50537 1 334 . 1 . 1 89 89 SER CA C 13 59.396 0.02 . 1 . . . . . 112 SER CA . 50537 1 335 . 1 . 1 89 89 SER CB C 13 64.238 0.01 . 1 . . . . . 112 SER CB . 50537 1 336 . 1 . 1 89 89 SER N N 15 120.157 0.02 . 1 . . . . . 112 SER N . 50537 1 337 . 1 . 1 90 90 VAL H H 1 9.155 0.01 . 1 . . . . . 113 VAL H . 50537 1 338 . 1 . 1 90 90 VAL CA C 13 56.906 0.01 . 1 . . . . . 113 VAL CA . 50537 1 339 . 1 . 1 90 90 VAL CB C 13 33.336 0.00 . 1 . . . . . 113 VAL CB . 50537 1 340 . 1 . 1 90 90 VAL N N 15 120.142 0.05 . 1 . . . . . 113 VAL N . 50537 1 341 . 1 . 1 91 91 PRO C C 13 176.417 0.00 . 1 . . . . . 114 PRO C . 50537 1 342 . 1 . 1 91 91 PRO CA C 13 62.667 0.00 . 1 . . . . . 114 PRO CA . 50537 1 343 . 1 . 1 91 91 PRO CB C 13 31.209 0.00 . 1 . . . . . 114 PRO CB . 50537 1 344 . 1 . 1 92 92 ILE H H 1 8.281 0.01 . 1 . . . . . 115 ILE H . 50537 1 345 . 1 . 1 92 92 ILE C C 13 175.234 0.00 . 1 . . . . . 115 ILE C . 50537 1 346 . 1 . 1 92 92 ILE CA C 13 59.724 0.02 . 1 . . . . . 115 ILE CA . 50537 1 347 . 1 . 1 92 92 ILE CB C 13 37.433 0.03 . 1 . . . . . 115 ILE CB . 50537 1 348 . 1 . 1 92 92 ILE N N 15 121.581 0.08 . 1 . . . . . 115 ILE N . 50537 1 349 . 1 . 1 93 93 GLN H H 1 8.435 0.01 . 1 . . . . . 116 GLN H . 50537 1 350 . 1 . 1 93 93 GLN C C 13 174.953 0.00 . 1 . . . . . 116 GLN C . 50537 1 351 . 1 . 1 93 93 GLN CA C 13 53.884 0.01 . 1 . . . . . 116 GLN CA . 50537 1 352 . 1 . 1 93 93 GLN CB C 13 31.268 0.00 . 1 . . . . . 116 GLN CB . 50537 1 353 . 1 . 1 93 93 GLN N N 15 125.269 0.01 . 1 . . . . . 116 GLN N . 50537 1 354 . 1 . 1 94 94 GLN H H 1 8.976 0.01 . 1 . . . . . 117 GLN H . 50537 1 355 . 1 . 1 94 94 GLN C C 13 174.122 0.00 . 1 . . . . . 117 GLN C . 50537 1 356 . 1 . 1 94 94 GLN CA C 13 53.513 0.06 . 1 . . . . . 117 GLN CA . 50537 1 357 . 1 . 1 94 94 GLN CB C 13 32.377 0.04 . 1 . . . . . 117 GLN CB . 50537 1 358 . 1 . 1 94 94 GLN N N 15 121.767 0.02 . 1 . . . . . 117 GLN N . 50537 1 359 . 1 . 1 95 95 GLU H H 1 8.621 0.01 . 1 . . . . . 118 GLU H . 50537 1 360 . 1 . 1 95 95 GLU C C 13 176.307 0.00 . 1 . . . . . 118 GLU C . 50537 1 361 . 1 . 1 95 95 GLU CA C 13 55.385 0.02 . 1 . . . . . 118 GLU CA . 50537 1 362 . 1 . 1 95 95 GLU CB C 13 30.090 0.01 . 1 . . . . . 118 GLU CB . 50537 1 363 . 1 . 1 95 95 GLU N N 15 126.308 0.02 . 1 . . . . . 118 GLU N . 50537 1 364 . 1 . 1 96 96 ILE H H 1 9.223 0.01 . 1 . . . . . 119 ILE H . 50537 1 365 . 1 . 1 96 96 ILE C C 13 173.884 0.00 . 1 . . . . . 119 ILE C . 50537 1 366 . 1 . 1 96 96 ILE CA C 13 59.240 0.03 . 1 . . . . . 119 ILE CA . 50537 1 367 . 1 . 1 96 96 ILE CB C 13 40.161 0.04 . 1 . . . . . 119 ILE CB . 50537 1 368 . 1 . 1 96 96 ILE N N 15 121.811 0.08 . 1 . . . . . 119 ILE N . 50537 1 369 . 1 . 1 97 97 LEU H H 1 8.479 0.01 . 1 . . . . . 120 LEU H . 50537 1 370 . 1 . 1 97 97 LEU C C 13 176.473 0.00 . 1 . . . . . 120 LEU C . 50537 1 371 . 1 . 1 97 97 LEU CA C 13 53.748 0.08 . 1 . . . . . 120 LEU CA . 50537 1 372 . 1 . 1 97 97 LEU CB C 13 42.013 0.04 . 1 . . . . . 120 LEU CB . 50537 1 373 . 1 . 1 97 97 LEU N N 15 121.494 0.03 . 1 . . . . . 120 LEU N . 50537 1 374 . 1 . 1 98 98 VAL H H 1 8.772 0.00 . 1 . . . . . 121 VAL H . 50537 1 375 . 1 . 1 98 98 VAL C C 13 174.157 0.00 . 1 . . . . . 121 VAL C . 50537 1 376 . 1 . 1 98 98 VAL CA C 13 58.278 0.04 . 1 . . . . . 121 VAL CA . 50537 1 377 . 1 . 1 98 98 VAL CB C 13 34.317 0.04 . 1 . . . . . 121 VAL CB . 50537 1 378 . 1 . 1 98 98 VAL N N 15 112.010 0.07 . 1 . . . . . 121 VAL N . 50537 1 379 . 1 . 1 99 99 LEU H H 1 8.899 0.01 . 1 . . . . . 122 LEU H . 50537 1 380 . 1 . 1 99 99 LEU C C 13 176.340 0.00 . 1 . . . . . 122 LEU C . 50537 1 381 . 1 . 1 99 99 LEU CA C 13 53.148 0.05 . 1 . . . . . 122 LEU CA . 50537 1 382 . 1 . 1 99 99 LEU CB C 13 43.353 0.02 . 1 . . . . . 122 LEU CB . 50537 1 383 . 1 . 1 99 99 LEU N N 15 120.383 0.06 . 1 . . . . . 122 LEU N . 50537 1 384 . 1 . 1 100 100 ARG H H 1 9.210 0.00 . 1 . . . . . 123 ARG H . 50537 1 385 . 1 . 1 100 100 ARG CA C 13 54.104 0.06 . 1 . . . . . 123 ARG CA . 50537 1 386 . 1 . 1 100 100 ARG N N 15 121.182 0.04 . 1 . . . . . 123 ARG N . 50537 1 387 . 1 . 1 111 111 ARG C C 13 173.527 0.00 . 1 . . . . . 134 ARG C . 50537 1 388 . 1 . 1 111 111 ARG CA C 13 58.309 0.00 . 1 . . . . . 134 ARG CA . 50537 1 389 . 1 . 1 111 111 ARG CB C 13 34.331 0.00 . 1 . . . . . 134 ARG CB . 50537 1 390 . 1 . 1 112 112 LEU H H 1 8.808 0.01 . 1 . . . . . 135 LEU H . 50537 1 391 . 1 . 1 112 112 LEU C C 13 175.272 0.00 . 1 . . . . . 135 LEU C . 50537 1 392 . 1 . 1 112 112 LEU CA C 13 52.996 0.03 . 1 . . . . . 135 LEU CA . 50537 1 393 . 1 . 1 112 112 LEU CB C 13 42.865 0.09 . 1 . . . . . 135 LEU CB . 50537 1 394 . 1 . 1 112 112 LEU N N 15 118.336 0.04 . 1 . . . . . 135 LEU N . 50537 1 395 . 1 . 1 113 113 GLU H H 1 9.100 0.01 . 1 . . . . . 136 GLU H . 50537 1 396 . 1 . 1 113 113 GLU C C 13 173.590 0.00 . 1 . . . . . 136 GLU C . 50537 1 397 . 1 . 1 113 113 GLU CA C 13 54.467 0.05 . 1 . . . . . 136 GLU CA . 50537 1 398 . 1 . 1 113 113 GLU CB C 13 33.140 0.03 . 1 . . . . . 136 GLU CB . 50537 1 399 . 1 . 1 113 113 GLU N N 15 125.109 0.06 . 1 . . . . . 136 GLU N . 50537 1 400 . 1 . 1 114 114 LYS H H 1 8.124 0.01 . 1 . . . . . 137 LYS H . 50537 1 401 . 1 . 1 114 114 LYS C C 13 176.424 0.00 . 1 . . . . . 137 LYS C . 50537 1 402 . 1 . 1 114 114 LYS CA C 13 54.412 0.02 . 1 . . . . . 137 LYS CA . 50537 1 403 . 1 . 1 114 114 LYS CB C 13 33.884 0.01 . 1 . . . . . 137 LYS CB . 50537 1 404 . 1 . 1 114 114 LYS N N 15 120.933 0.06 . 1 . . . . . 137 LYS N . 50537 1 405 . 1 . 1 115 115 ILE H H 1 8.810 0.01 . 1 . . . . . 138 ILE H . 50537 1 406 . 1 . 1 115 115 ILE C C 13 173.447 0.00 . 1 . . . . . 138 ILE C . 50537 1 407 . 1 . 1 115 115 ILE CA C 13 59.110 0.02 . 1 . . . . . 138 ILE CA . 50537 1 408 . 1 . 1 115 115 ILE CB C 13 41.126 0.01 . 1 . . . . . 138 ILE CB . 50537 1 409 . 1 . 1 115 115 ILE N N 15 118.939 0.04 . 1 . . . . . 138 ILE N . 50537 1 410 . 1 . 1 116 116 LEU H H 1 8.255 0.01 . 1 . . . . . 139 LEU H . 50537 1 411 . 1 . 1 116 116 LEU C C 13 176.603 0.00 . 1 . . . . . 139 LEU C . 50537 1 412 . 1 . 1 116 116 LEU CA C 13 53.738 0.02 . 1 . . . . . 139 LEU CA . 50537 1 413 . 1 . 1 116 116 LEU CB C 13 42.694 0.01 . 1 . . . . . 139 LEU CB . 50537 1 414 . 1 . 1 116 116 LEU N N 15 123.883 0.02 . 1 . . . . . 139 LEU N . 50537 1 415 . 1 . 1 117 117 VAL H H 1 8.619 0.01 . 1 . . . . . 140 VAL H . 50537 1 416 . 1 . 1 117 117 VAL C C 13 175.263 0.00 . 1 . . . . . 140 VAL C . 50537 1 417 . 1 . 1 117 117 VAL CA C 13 59.156 0.02 . 1 . . . . . 140 VAL CA . 50537 1 418 . 1 . 1 117 117 VAL CB C 13 34.936 0.01 . 1 . . . . . 140 VAL CB . 50537 1 419 . 1 . 1 117 117 VAL N N 15 121.583 0.04 . 1 . . . . . 140 VAL N . 50537 1 420 . 1 . 1 118 118 SER H H 1 9.070 0.01 . 1 . . . . . 141 SER H . 50537 1 421 . 1 . 1 118 118 SER C C 13 175.858 0.00 . 1 . . . . . 141 SER C . 50537 1 422 . 1 . 1 118 118 SER CA C 13 57.114 0.01 . 1 . . . . . 141 SER CA . 50537 1 423 . 1 . 1 118 118 SER CB C 13 63.029 0.01 . 1 . . . . . 141 SER CB . 50537 1 424 . 1 . 1 118 118 SER N N 15 119.928 0.03 . 1 . . . . . 141 SER N . 50537 1 425 . 1 . 1 119 119 VAL H H 1 8.652 0.01 . 1 . . . . . 142 VAL H . 50537 1 426 . 1 . 1 119 119 VAL C C 13 174.127 0.00 . 1 . . . . . 142 VAL C . 50537 1 427 . 1 . 1 119 119 VAL CA C 13 61.878 0.03 . 1 . . . . . 142 VAL CA . 50537 1 428 . 1 . 1 119 119 VAL CB C 13 31.778 0.01 . 1 . . . . . 142 VAL CB . 50537 1 429 . 1 . 1 119 119 VAL N N 15 122.025 0.07 . 1 . . . . . 142 VAL N . 50537 1 430 . 1 . 1 120 120 GLY H H 1 6.771 0.01 . 1 . . . . . 143 GLY H . 50537 1 431 . 1 . 1 120 120 GLY CA C 13 42.000 0.01 . 1 . . . . . 143 GLY CA . 50537 1 432 . 1 . 1 120 120 GLY N N 15 103.073 0.04 . 1 . . . . . 143 GLY N . 50537 1 433 . 1 . 1 121 121 CYS H H 1 5.261 0.01 . 1 . . . . . 144 CYS H . 50537 1 434 . 1 . 1 121 121 CYS C C 13 171.545 0.00 . 1 . . . . . 144 CYS C . 50537 1 435 . 1 . 1 121 121 CYS CA C 13 56.243 0.00 . 1 . . . . . 144 CYS CA . 50537 1 436 . 1 . 1 121 121 CYS CB C 13 48.676 0.06 . 1 . . . . . 144 CYS CB . 50537 1 437 . 1 . 1 121 121 CYS N N 15 115.337 0.03 . 1 . . . . . 144 CYS N . 50537 1 438 . 1 . 1 122 122 THR H H 1 9.153 0.01 . 1 . . . . . 145 THR H . 50537 1 439 . 1 . 1 122 122 THR C C 13 170.263 0.00 . 1 . . . . . 145 THR C . 50537 1 440 . 1 . 1 122 122 THR CA C 13 61.170 0.04 . 1 . . . . . 145 THR CA . 50537 1 441 . 1 . 1 122 122 THR CB C 13 70.649 0.02 . 1 . . . . . 145 THR CB . 50537 1 442 . 1 . 1 122 122 THR N N 15 120.253 0.06 . 1 . . . . . 145 THR N . 50537 1 443 . 1 . 1 123 123 CYS H H 1 8.503 0.00 . 1 . . . . . 146 CYS H . 50537 1 444 . 1 . 1 123 123 CYS C C 13 174.562 0.00 . 1 . . . . . 146 CYS C . 50537 1 445 . 1 . 1 123 123 CYS CA C 13 55.256 0.02 . 1 . . . . . 146 CYS CA . 50537 1 446 . 1 . 1 123 123 CYS CB C 13 43.569 0.01 . 1 . . . . . 146 CYS CB . 50537 1 447 . 1 . 1 123 123 CYS N N 15 124.336 0.02 . 1 . . . . . 146 CYS N . 50537 1 448 . 1 . 1 124 124 VAL H H 1 9.592 0.01 . 1 . . . . . 147 VAL H . 50537 1 449 . 1 . 1 124 124 VAL C C 13 175.578 0.00 . 1 . . . . . 147 VAL C . 50537 1 450 . 1 . 1 124 124 VAL CA C 13 58.360 0.02 . 1 . . . . . 147 VAL CA . 50537 1 451 . 1 . 1 124 124 VAL CB C 13 34.414 0.01 . 1 . . . . . 147 VAL CB . 50537 1 452 . 1 . 1 124 124 VAL N N 15 121.133 0.02 . 1 . . . . . 147 VAL N . 50537 1 453 . 1 . 1 125 125 THR H H 1 7.799 0.01 . 1 . . . . . 148 THR H . 50537 1 454 . 1 . 1 125 125 THR CA C 13 58.818 0.02 . 1 . . . . . 148 THR CA . 50537 1 455 . 1 . 1 125 125 THR CB C 13 68.553 0.00 . 1 . . . . . 148 THR CB . 50537 1 456 . 1 . 1 125 125 THR N N 15 115.821 0.02 . 1 . . . . . 148 THR N . 50537 1 457 . 1 . 1 126 126 PRO C C 13 176.758 0.00 . 1 . . . . . 149 PRO C . 50537 1 458 . 1 . 1 126 126 PRO CA C 13 62.827 0.01 . 1 . . . . . 149 PRO CA . 50537 1 459 . 1 . 1 126 126 PRO CB C 13 31.462 0.00 . 1 . . . . . 149 PRO CB . 50537 1 460 . 1 . 1 127 127 ILE H H 1 7.977 0.00 . 1 . . . . . 150 ILE H . 50537 1 461 . 1 . 1 127 127 ILE C C 13 175.797 0.00 . 1 . . . . . 150 ILE C . 50537 1 462 . 1 . 1 127 127 ILE CA C 13 60.723 0.03 . 1 . . . . . 150 ILE CA . 50537 1 463 . 1 . 1 127 127 ILE CB C 13 37.969 0.01 . 1 . . . . . 150 ILE CB . 50537 1 464 . 1 . 1 127 127 ILE N N 15 119.771 0.07 . 1 . . . . . 150 ILE N . 50537 1 465 . 1 . 1 128 128 VAL H H 1 8.040 0.00 . 1 . . . . . 151 VAL H . 50537 1 466 . 1 . 1 128 128 VAL C C 13 175.522 0.00 . 1 . . . . . 151 VAL C . 50537 1 467 . 1 . 1 128 128 VAL CA C 13 61.537 0.01 . 1 . . . . . 151 VAL CA . 50537 1 468 . 1 . 1 128 128 VAL CB C 13 31.901 0.02 . 1 . . . . . 151 VAL CB . 50537 1 469 . 1 . 1 128 128 VAL N N 15 124.743 0.01 . 1 . . . . . 151 VAL N . 50537 1 470 . 1 . 1 129 129 HIS H H 1 8.410 0.01 . 1 . . . . . 152 HIS H . 50537 1 471 . 1 . 1 129 129 HIS CA C 13 55.121 0.01 . 1 . . . . . 152 HIS CA . 50537 1 472 . 1 . 1 129 129 HIS CB C 13 29.564 0.00 . 1 . . . . . 152 HIS CB . 50537 1 473 . 1 . 1 129 129 HIS N N 15 124.087 0.03 . 1 . . . . . 152 HIS N . 50537 1 474 . 1 . 1 130 130 HIS C C 13 174.352 0.00 . 1 . . . . . 153 HIS C . 50537 1 475 . 1 . 1 130 130 HIS CA C 13 55.340 0.02 . 1 . . . . . 153 HIS CA . 50537 1 476 . 1 . 1 130 130 HIS CB C 13 29.403 0.01 . 1 . . . . . 153 HIS CB . 50537 1 477 . 1 . 1 131 131 VAL H H 1 8.103 0.00 . 1 . . . . . 154 VAL H . 50537 1 478 . 1 . 1 131 131 VAL C C 13 174.722 0.00 . 1 . . . . . 154 VAL C . 50537 1 479 . 1 . 1 131 131 VAL CA C 13 61.858 0.02 . 1 . . . . . 154 VAL CA . 50537 1 480 . 1 . 1 131 131 VAL CB C 13 32.004 0.00 . 1 . . . . . 154 VAL CB . 50537 1 481 . 1 . 1 131 131 VAL N N 15 123.011 0.03 . 1 . . . . . 154 VAL N . 50537 1 482 . 1 . 1 132 132 ALA H H 1 7.871 0.01 . 1 . . . . . 155 ALA H . 50537 1 483 . 1 . 1 132 132 ALA CA C 13 53.440 0.02 . 1 . . . . . 155 ALA CA . 50537 1 484 . 1 . 1 132 132 ALA CB C 13 19.421 0.00 . 1 . . . . . 155 ALA CB . 50537 1 485 . 1 . 1 132 132 ALA N N 15 133.131 0.03 . 1 . . . . . 155 ALA N . 50537 1 stop_ save_