data_50538 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50538 _Entry.Title ; Backbone Assignments for the Human Interleukin-17F 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 . . . . 50538 2 Lorna Waters . C. . . 50538 3 Frederick Muskett . W. . . 50538 4 Richard Taylor . J. . . 50538 5 Alistair Henry . J. . . 50538 6 Mark Carr . D. . . 50538 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' . 50538 2 . 'UCB Pharma' . 50538 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50538 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 50538 '15N chemical shifts' 108 50538 '1H chemical shifts' 108 50538 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 . 50538 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50537 'Human Interleukin-17A Homodimer' 50538 BMRB 50540 'Human Interleukin-17AF Heterodimer' 50538 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50538 _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. . . 50538 1 2 Vaclav Veverka V. . . . 50538 1 3 Sarah Strong S. L. . . 50538 1 4 Frederick Muskett F. W. . . 50538 1 5 Neesha Dedi N. . . . 50538 1 6 Alastair Lawson . . . . 50538 1 7 Christine Prosser C. E. . . 50538 1 8 Richard Taylor R. J. . . 50538 1 9 Alistair Henry A. J. . . 50538 1 10 Mark Carr M. D. . . 50538 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' 50538 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50538 _Assembly.ID 1 _Assembly.Name 'IL-17F 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 30050 _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-17F - protomer 1' 1 $entity_1 . . yes native no no . . . 50538 1 2 'IL-17F - protomer 2' 1 $entity_1 . . yes native no no . . . 50538 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 18 18 SG . 2 . 2 CYS 108 108 SG . . . 47 CYS SG . . . 137 CYS SG 50538 1 2 disulfide single . 2 . 2 CYS 18 18 SG . 1 . 1 CYS 108 108 SG . . . 47 CYS SG . . . 137 CYS SG 50538 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' 50538 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Proinflammatory cytokine' 50538 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50538 _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 ; MRKIPKVGHTFFQKPESCPP VPGGSMKLDIGIINENQRVS MSRNIESRSTSPWNYTVTWD PNRYPSEVVQAQCRNLGCIN AQGKEDISMNSVPIQQETLV VRRKHQGCSVSFQLEKVLVT VGCTCVTPVIHHVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature sequence of human IL-17F, with an additional N-terminal Met' _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 134 _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 Q96PD4 . IL-17F . . . . . . . . . . . . . . 50538 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proinflammatory cytokine' 50538 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 30 MET . 50538 1 2 31 ARG . 50538 1 3 32 LYS . 50538 1 4 33 ILE . 50538 1 5 34 PRO . 50538 1 6 35 LYS . 50538 1 7 36 VAL . 50538 1 8 37 GLY . 50538 1 9 38 HIS . 50538 1 10 39 THR . 50538 1 11 40 PHE . 50538 1 12 41 PHE . 50538 1 13 42 GLN . 50538 1 14 43 LYS . 50538 1 15 44 PRO . 50538 1 16 45 GLU . 50538 1 17 46 SER . 50538 1 18 47 CYS . 50538 1 19 48 PRO . 50538 1 20 49 PRO . 50538 1 21 50 VAL . 50538 1 22 51 PRO . 50538 1 23 52 GLY . 50538 1 24 53 GLY . 50538 1 25 54 SER . 50538 1 26 55 MET . 50538 1 27 56 LYS . 50538 1 28 57 LEU . 50538 1 29 58 ASP . 50538 1 30 59 ILE . 50538 1 31 60 GLY . 50538 1 32 61 ILE . 50538 1 33 62 ILE . 50538 1 34 63 ASN . 50538 1 35 64 GLU . 50538 1 36 65 ASN . 50538 1 37 66 GLN . 50538 1 38 67 ARG . 50538 1 39 68 VAL . 50538 1 40 69 SER . 50538 1 41 70 MET . 50538 1 42 71 SER . 50538 1 43 72 ARG . 50538 1 44 73 ASN . 50538 1 45 74 ILE . 50538 1 46 75 GLU . 50538 1 47 76 SER . 50538 1 48 77 ARG . 50538 1 49 78 SER . 50538 1 50 79 THR . 50538 1 51 80 SER . 50538 1 52 81 PRO . 50538 1 53 82 TRP . 50538 1 54 83 ASN . 50538 1 55 84 TYR . 50538 1 56 85 THR . 50538 1 57 86 VAL . 50538 1 58 87 THR . 50538 1 59 88 TRP . 50538 1 60 89 ASP . 50538 1 61 90 PRO . 50538 1 62 91 ASN . 50538 1 63 92 ARG . 50538 1 64 93 TYR . 50538 1 65 94 PRO . 50538 1 66 95 SER . 50538 1 67 96 GLU . 50538 1 68 97 VAL . 50538 1 69 98 VAL . 50538 1 70 99 GLN . 50538 1 71 100 ALA . 50538 1 72 101 GLN . 50538 1 73 102 CYS . 50538 1 74 103 ARG . 50538 1 75 104 ASN . 50538 1 76 105 LEU . 50538 1 77 106 GLY . 50538 1 78 107 CYS . 50538 1 79 108 ILE . 50538 1 80 109 ASN . 50538 1 81 110 ALA . 50538 1 82 111 GLN . 50538 1 83 112 GLY . 50538 1 84 113 LYS . 50538 1 85 114 GLU . 50538 1 86 115 ASP . 50538 1 87 116 ILE . 50538 1 88 117 SER . 50538 1 89 118 MET . 50538 1 90 119 ASN . 50538 1 91 120 SER . 50538 1 92 121 VAL . 50538 1 93 122 PRO . 50538 1 94 123 ILE . 50538 1 95 124 GLN . 50538 1 96 125 GLN . 50538 1 97 126 GLU . 50538 1 98 127 THR . 50538 1 99 128 LEU . 50538 1 100 129 VAL . 50538 1 101 130 VAL . 50538 1 102 131 ARG . 50538 1 103 132 ARG . 50538 1 104 133 LYS . 50538 1 105 134 HIS . 50538 1 106 135 GLN . 50538 1 107 136 GLY . 50538 1 108 137 CYS . 50538 1 109 138 SER . 50538 1 110 139 VAL . 50538 1 111 140 SER . 50538 1 112 141 PHE . 50538 1 113 142 GLN . 50538 1 114 143 LEU . 50538 1 115 144 GLU . 50538 1 116 145 LYS . 50538 1 117 146 VAL . 50538 1 118 147 LEU . 50538 1 119 148 VAL . 50538 1 120 149 THR . 50538 1 121 150 VAL . 50538 1 122 151 GLY . 50538 1 123 152 CYS . 50538 1 124 153 THR . 50538 1 125 154 CYS . 50538 1 126 155 VAL . 50538 1 127 156 THR . 50538 1 128 157 PRO . 50538 1 129 158 VAL . 50538 1 130 159 ILE . 50538 1 131 160 HIS . 50538 1 132 161 HIS . 50538 1 133 162 VAL . 50538 1 134 163 GLN . 50538 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 50538 1 . ARG 2 2 50538 1 . LYS 3 3 50538 1 . ILE 4 4 50538 1 . PRO 5 5 50538 1 . LYS 6 6 50538 1 . VAL 7 7 50538 1 . GLY 8 8 50538 1 . HIS 9 9 50538 1 . THR 10 10 50538 1 . PHE 11 11 50538 1 . PHE 12 12 50538 1 . GLN 13 13 50538 1 . LYS 14 14 50538 1 . PRO 15 15 50538 1 . GLU 16 16 50538 1 . SER 17 17 50538 1 . CYS 18 18 50538 1 . PRO 19 19 50538 1 . PRO 20 20 50538 1 . VAL 21 21 50538 1 . PRO 22 22 50538 1 . GLY 23 23 50538 1 . GLY 24 24 50538 1 . SER 25 25 50538 1 . MET 26 26 50538 1 . LYS 27 27 50538 1 . LEU 28 28 50538 1 . ASP 29 29 50538 1 . ILE 30 30 50538 1 . GLY 31 31 50538 1 . ILE 32 32 50538 1 . ILE 33 33 50538 1 . ASN 34 34 50538 1 . GLU 35 35 50538 1 . ASN 36 36 50538 1 . GLN 37 37 50538 1 . ARG 38 38 50538 1 . VAL 39 39 50538 1 . SER 40 40 50538 1 . MET 41 41 50538 1 . SER 42 42 50538 1 . ARG 43 43 50538 1 . ASN 44 44 50538 1 . ILE 45 45 50538 1 . GLU 46 46 50538 1 . SER 47 47 50538 1 . ARG 48 48 50538 1 . SER 49 49 50538 1 . THR 50 50 50538 1 . SER 51 51 50538 1 . PRO 52 52 50538 1 . TRP 53 53 50538 1 . ASN 54 54 50538 1 . TYR 55 55 50538 1 . THR 56 56 50538 1 . VAL 57 57 50538 1 . THR 58 58 50538 1 . TRP 59 59 50538 1 . ASP 60 60 50538 1 . PRO 61 61 50538 1 . ASN 62 62 50538 1 . ARG 63 63 50538 1 . TYR 64 64 50538 1 . PRO 65 65 50538 1 . SER 66 66 50538 1 . GLU 67 67 50538 1 . VAL 68 68 50538 1 . VAL 69 69 50538 1 . GLN 70 70 50538 1 . ALA 71 71 50538 1 . GLN 72 72 50538 1 . CYS 73 73 50538 1 . ARG 74 74 50538 1 . ASN 75 75 50538 1 . LEU 76 76 50538 1 . GLY 77 77 50538 1 . CYS 78 78 50538 1 . ILE 79 79 50538 1 . ASN 80 80 50538 1 . ALA 81 81 50538 1 . GLN 82 82 50538 1 . GLY 83 83 50538 1 . LYS 84 84 50538 1 . GLU 85 85 50538 1 . ASP 86 86 50538 1 . ILE 87 87 50538 1 . SER 88 88 50538 1 . MET 89 89 50538 1 . ASN 90 90 50538 1 . SER 91 91 50538 1 . VAL 92 92 50538 1 . PRO 93 93 50538 1 . ILE 94 94 50538 1 . GLN 95 95 50538 1 . GLN 96 96 50538 1 . GLU 97 97 50538 1 . THR 98 98 50538 1 . LEU 99 99 50538 1 . VAL 100 100 50538 1 . VAL 101 101 50538 1 . ARG 102 102 50538 1 . ARG 103 103 50538 1 . LYS 104 104 50538 1 . HIS 105 105 50538 1 . GLN 106 106 50538 1 . GLY 107 107 50538 1 . CYS 108 108 50538 1 . SER 109 109 50538 1 . VAL 110 110 50538 1 . SER 111 111 50538 1 . PHE 112 112 50538 1 . GLN 113 113 50538 1 . LEU 114 114 50538 1 . GLU 115 115 50538 1 . LYS 116 116 50538 1 . VAL 117 117 50538 1 . LEU 118 118 50538 1 . VAL 119 119 50538 1 . THR 120 120 50538 1 . VAL 121 121 50538 1 . GLY 122 122 50538 1 . CYS 123 123 50538 1 . THR 124 124 50538 1 . CYS 125 125 50538 1 . VAL 126 126 50538 1 . THR 127 127 50538 1 . PRO 128 128 50538 1 . VAL 129 129 50538 1 . ILE 130 130 50538 1 . HIS 131 131 50538 1 . HIS 132 132 50538 1 . VAL 133 133 50538 1 . GLN 134 134 50538 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 50538 _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 . . . . . . . . . . . IL17F . 50538 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 50538 _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 . . . 50538 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50538 _Sample.ID 1 _Sample.Name '15N IL17F' _Sample.Type solution _Sample.Sub_type . _Sample.Details '210 uM 15N IL-17F 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-17F dimer' [U-15N] . . 1 $entity_1 . . 210 . . uM . . . . 50538 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50538 _Sample.ID 2 _Sample.Name 'dCN IL17F' _Sample.Type solution _Sample.Sub_type . _Sample.Details '90 uM 15N/13C/2H IL-17F 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-17F dimer' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 90 . . uM . . . . 50538 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50538 _Sample.ID 3 _Sample.Name 'dN IL17F' _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM 15N/2H IL-17F 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-17F dimer' '[U-15N; U-2H]' . . 1 $entity_1 . . 200 . . uM . . . . 50538 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 50538 _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 50538 1 pH 6 . pH 50538 1 pressure 1 . atm 50538 1 temperature 308 . K 50538 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50538 _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' . 50538 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50538 _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' . 50538 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50538 _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' . 50538 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 50538 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50538 _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 50538 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50538 1 2 '3D TROSY- HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50538 1 3 '3D TROSY-HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50538 1 4 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50538 1 5 '3D 15N/1H NOESY-HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50538 1 6 '3D TROSY-HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50538 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 50538 _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 . . . . . 50538 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . temperature . 50538 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50538 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 50538 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name IL-17F _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' . . . 50538 1 2 '3D TROSY- HNCACB' . . . 50538 1 3 '3D TROSY-HNCO' . . . 50538 1 4 '3D TROSY-HN(CO)CACB' . . . 50538 1 5 '3D 15N/1H NOESY-HSQC' . . . 50538 1 6 '3D TROSY-HN(CO)CA' . . . 50538 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 . . 50538 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 ARG C C 13 175.638 0.00 . 1 . . . . . 31 ARG C . 50538 1 2 . 1 . 1 2 2 ARG CA C 13 55.783 0.04 . 1 . . . . . 31 ARG CA . 50538 1 3 . 1 . 1 2 2 ARG CB C 13 30.189 0.00 . 1 . . . . . 31 ARG CB . 50538 1 4 . 1 . 1 3 3 LYS H H 1 8.372 0.00 . 1 . . . . . 32 LYS H . 50538 1 5 . 1 . 1 3 3 LYS C C 13 176.033 0.00 . 1 . . . . . 32 LYS C . 50538 1 6 . 1 . 1 3 3 LYS CA C 13 55.643 0.06 . 1 . . . . . 32 LYS CA . 50538 1 7 . 1 . 1 3 3 LYS CB C 13 32.161 0.02 . 1 . . . . . 32 LYS CB . 50538 1 8 . 1 . 1 3 3 LYS N N 15 124.248 0.03 . 1 . . . . . 32 LYS N . 50538 1 9 . 1 . 1 4 4 ILE H H 1 8.145 0.00 . 1 . . . . . 33 ILE H . 50538 1 10 . 1 . 1 4 4 ILE CA C 13 58.016 0.00 . 1 . . . . . 33 ILE CA . 50538 1 11 . 1 . 1 4 4 ILE CB C 13 37.813 0.00 . 1 . . . . . 33 ILE CB . 50538 1 12 . 1 . 1 4 4 ILE N N 15 124.707 0.03 . 1 . . . . . 33 ILE N . 50538 1 13 . 1 . 1 5 5 PRO C C 13 176.614 0.00 . 1 . . . . . 34 PRO C . 50538 1 14 . 1 . 1 5 5 PRO CA C 13 62.564 0.12 . 1 . . . . . 34 PRO CA . 50538 1 15 . 1 . 1 5 5 PRO CB C 13 31.514 0.00 . 1 . . . . . 34 PRO CB . 50538 1 16 . 1 . 1 6 6 LYS H H 1 8.289 0.01 . 1 . . . . . 35 LYS H . 50538 1 17 . 1 . 1 6 6 LYS C C 13 176.764 0.00 . 1 . . . . . 35 LYS C . 50538 1 18 . 1 . 1 6 6 LYS CA C 13 55.825 0.04 . 1 . . . . . 35 LYS CA . 50538 1 19 . 1 . 1 6 6 LYS CB C 13 32.188 0.01 . 1 . . . . . 35 LYS CB . 50538 1 20 . 1 . 1 6 6 LYS N N 15 122.061 0.02 . 1 . . . . . 35 LYS N . 50538 1 21 . 1 . 1 7 7 VAL H H 1 8.091 0.00 . 1 . . . . . 36 VAL H . 50538 1 22 . 1 . 1 7 7 VAL C C 13 176.644 0.00 . 1 . . . . . 36 VAL C . 50538 1 23 . 1 . 1 7 7 VAL CA C 13 61.835 0.08 . 1 . . . . . 36 VAL CA . 50538 1 24 . 1 . 1 7 7 VAL CB C 13 32.235 0.03 . 1 . . . . . 36 VAL CB . 50538 1 25 . 1 . 1 7 7 VAL N N 15 121.183 0.04 . 1 . . . . . 36 VAL N . 50538 1 26 . 1 . 1 8 8 GLY H H 1 8.508 0.01 . 1 . . . . . 37 GLY H . 50538 1 27 . 1 . 1 8 8 GLY CA C 13 45.066 0.00 . 1 . . . . . 37 GLY CA . 50538 1 28 . 1 . 1 8 8 GLY N N 15 112.222 0.04 . 1 . . . . . 37 GLY N . 50538 1 29 . 1 . 1 11 11 PHE C C 13 176.043 0.00 . 1 . . . . . 40 PHE C . 50538 1 30 . 1 . 1 11 11 PHE CA C 13 60.939 0.12 . 1 . . . . . 40 PHE CA . 50538 1 31 . 1 . 1 11 11 PHE CB C 13 39.533 0.00 . 1 . . . . . 40 PHE CB . 50538 1 32 . 1 . 1 12 12 PHE H H 1 7.691 0.01 . 1 . . . . . 41 PHE H . 50538 1 33 . 1 . 1 12 12 PHE C C 13 174.360 0.00 . 1 . . . . . 41 PHE C . 50538 1 34 . 1 . 1 12 12 PHE CA C 13 56.890 0.04 . 1 . . . . . 41 PHE CA . 50538 1 35 . 1 . 1 12 12 PHE CB C 13 38.137 0.03 . 1 . . . . . 41 PHE CB . 50538 1 36 . 1 . 1 12 12 PHE N N 15 113.433 0.06 . 1 . . . . . 41 PHE N . 50538 1 37 . 1 . 1 13 13 GLN H H 1 7.271 0.00 . 1 . . . . . 42 GLN H . 50538 1 38 . 1 . 1 13 13 GLN C C 13 175.758 0.00 . 1 . . . . . 42 GLN C . 50538 1 39 . 1 . 1 13 13 GLN CA C 13 54.895 0.06 . 1 . . . . . 42 GLN CA . 50538 1 40 . 1 . 1 13 13 GLN CB C 13 30.261 0.01 . 1 . . . . . 42 GLN CB . 50538 1 41 . 1 . 1 13 13 GLN N N 15 117.552 0.05 . 1 . . . . . 42 GLN N . 50538 1 42 . 1 . 1 14 14 LYS H H 1 8.414 0.01 . 1 . . . . . 43 LYS H . 50538 1 43 . 1 . 1 14 14 LYS CA C 13 54.254 0.00 . 1 . . . . . 43 LYS CA . 50538 1 44 . 1 . 1 14 14 LYS CB C 13 31.349 0.00 . 1 . . . . . 43 LYS CB . 50538 1 45 . 1 . 1 14 14 LYS N N 15 122.866 0.04 . 1 . . . . . 43 LYS N . 50538 1 46 . 1 . 1 17 17 SER C C 13 174.859 0.00 . 1 . . . . . 46 SER C . 50538 1 47 . 1 . 1 17 17 SER CA C 13 58.325 0.06 . 1 . . . . . 46 SER CA . 50538 1 48 . 1 . 1 17 17 SER CB C 13 62.032 0.00 . 1 . . . . . 46 SER CB . 50538 1 49 . 1 . 1 18 18 CYS H H 1 7.599 0.00 . 1 . . . . . 47 CYS H . 50538 1 50 . 1 . 1 18 18 CYS CA C 13 53.918 0.00 . 1 . . . . . 47 CYS CA . 50538 1 51 . 1 . 1 18 18 CYS CB C 13 38.795 0.00 . 1 . . . . . 47 CYS CB . 50538 1 52 . 1 . 1 18 18 CYS N N 15 121.341 0.05 . 1 . . . . . 47 CYS N . 50538 1 53 . 1 . 1 20 20 PRO C C 13 176.751 0.00 . 1 . . . . . 49 PRO C . 50538 1 54 . 1 . 1 20 20 PRO CA C 13 62.388 0.10 . 1 . . . . . 49 PRO CA . 50538 1 55 . 1 . 1 20 20 PRO CB C 13 31.348 0.01 . 1 . . . . . 49 PRO CB . 50538 1 56 . 1 . 1 21 21 VAL H H 1 8.248 0.01 . 1 . . . . . 50 VAL H . 50538 1 57 . 1 . 1 21 21 VAL CA C 13 58.647 0.00 . 1 . . . . . 50 VAL CA . 50538 1 58 . 1 . 1 21 21 VAL CB C 13 32.640 0.00 . 1 . . . . . 50 VAL CB . 50538 1 59 . 1 . 1 21 21 VAL N N 15 121.437 0.06 . 1 . . . . . 50 VAL N . 50538 1 60 . 1 . 1 23 23 GLY C C 13 175.224 0.00 . 1 . . . . . 52 GLY C . 50538 1 61 . 1 . 1 23 23 GLY CA C 13 45.146 0.00 . 1 . . . . . 52 GLY CA . 50538 1 62 . 1 . 1 24 24 GLY H H 1 8.232 0.01 . 1 . . . . . 53 GLY H . 50538 1 63 . 1 . 1 24 24 GLY C C 13 173.954 0.00 . 1 . . . . . 53 GLY C . 50538 1 64 . 1 . 1 24 24 GLY CA C 13 45.442 0.09 . 1 . . . . . 53 GLY CA . 50538 1 65 . 1 . 1 24 24 GLY N N 15 108.490 0.08 . 1 . . . . . 53 GLY N . 50538 1 66 . 1 . 1 25 25 SER H H 1 7.840 0.00 . 1 . . . . . 54 SER H . 50538 1 67 . 1 . 1 25 25 SER C C 13 173.838 0.00 . 1 . . . . . 54 SER C . 50538 1 68 . 1 . 1 25 25 SER CA C 13 58.081 0.03 . 1 . . . . . 54 SER CA . 50538 1 69 . 1 . 1 25 25 SER CB C 13 63.834 0.08 . 1 . . . . . 54 SER CB . 50538 1 70 . 1 . 1 25 25 SER N N 15 114.570 0.06 . 1 . . . . . 54 SER N . 50538 1 71 . 1 . 1 26 26 MET H H 1 8.792 0.01 . 1 . . . . . 55 MET H . 50538 1 72 . 1 . 1 26 26 MET C C 13 175.448 0.00 . 1 . . . . . 55 MET C . 50538 1 73 . 1 . 1 26 26 MET CA C 13 53.957 0.03 . 1 . . . . . 55 MET CA . 50538 1 74 . 1 . 1 26 26 MET CB C 13 34.156 0.08 . 1 . . . . . 55 MET CB . 50538 1 75 . 1 . 1 26 26 MET N N 15 121.134 0.05 . 1 . . . . . 55 MET N . 50538 1 76 . 1 . 1 27 27 LYS H H 1 8.738 0.01 . 1 . . . . . 56 LYS H . 50538 1 77 . 1 . 1 27 27 LYS C C 13 174.215 0.00 . 1 . . . . . 56 LYS C . 50538 1 78 . 1 . 1 27 27 LYS CA C 13 56.440 0.04 . 1 . . . . . 56 LYS CA . 50538 1 79 . 1 . 1 27 27 LYS CB C 13 33.794 0.06 . 1 . . . . . 56 LYS CB . 50538 1 80 . 1 . 1 27 27 LYS N N 15 122.901 0.07 . 1 . . . . . 56 LYS N . 50538 1 81 . 1 . 1 28 28 LEU H H 1 8.534 0.01 . 1 . . . . . 57 LEU H . 50538 1 82 . 1 . 1 28 28 LEU C C 13 175.364 0.00 . 1 . . . . . 57 LEU C . 50538 1 83 . 1 . 1 28 28 LEU CA C 13 52.172 0.12 . 1 . . . . . 57 LEU CA . 50538 1 84 . 1 . 1 28 28 LEU CB C 13 43.944 0.08 . 1 . . . . . 57 LEU CB . 50538 1 85 . 1 . 1 28 28 LEU N N 15 126.422 0.04 . 1 . . . . . 57 LEU N . 50538 1 86 . 1 . 1 29 29 ASP H H 1 9.112 0.01 . 1 . . . . . 58 ASP H . 50538 1 87 . 1 . 1 29 29 ASP CA C 13 53.621 0.06 . 1 . . . . . 58 ASP CA . 50538 1 88 . 1 . 1 29 29 ASP CB C 13 40.858 0.07 . 1 . . . . . 58 ASP CB . 50538 1 89 . 1 . 1 29 29 ASP N N 15 127.921 0.08 . 1 . . . . . 58 ASP N . 50538 1 90 . 1 . 1 30 30 ILE H H 1 7.959 0.00 . 1 . . . . . 59 ILE H . 50538 1 91 . 1 . 1 30 30 ILE CA C 13 61.046 0.00 . 1 . . . . . 59 ILE CA . 50538 1 92 . 1 . 1 30 30 ILE CB C 13 37.436 0.00 . 1 . . . . . 59 ILE CB . 50538 1 93 . 1 . 1 30 30 ILE N N 15 119.246 0.05 . 1 . . . . . 59 ILE N . 50538 1 94 . 1 . 1 31 31 GLY C C 13 173.483 0.00 . 1 . . . . . 60 GLY C . 50538 1 95 . 1 . 1 31 31 GLY CA C 13 43.734 0.04 . 1 . . . . . 60 GLY CA . 50538 1 96 . 1 . 1 32 32 ILE H H 1 8.462 0.01 . 1 . . . . . 61 ILE H . 50538 1 97 . 1 . 1 32 32 ILE C C 13 176.495 0.00 . 1 . . . . . 61 ILE C . 50538 1 98 . 1 . 1 32 32 ILE CA C 13 59.341 0.06 . 1 . . . . . 61 ILE CA . 50538 1 99 . 1 . 1 32 32 ILE CB C 13 37.753 0.00 . 1 . . . . . 61 ILE CB . 50538 1 100 . 1 . 1 32 32 ILE N N 15 125.953 0.05 . 1 . . . . . 61 ILE N . 50538 1 101 . 1 . 1 33 33 ILE H H 1 9.015 0.01 . 1 . . . . . 62 ILE H . 50538 1 102 . 1 . 1 33 33 ILE C C 13 176.578 0.00 . 1 . . . . . 62 ILE C . 50538 1 103 . 1 . 1 33 33 ILE CA C 13 62.189 0.09 . 1 . . . . . 62 ILE CA . 50538 1 104 . 1 . 1 33 33 ILE CB C 13 37.113 0.05 . 1 . . . . . 62 ILE CB . 50538 1 105 . 1 . 1 33 33 ILE N N 15 131.479 0.09 . 1 . . . . . 62 ILE N . 50538 1 106 . 1 . 1 34 34 ASN H H 1 9.098 0.01 . 1 . . . . . 63 ASN H . 50538 1 107 . 1 . 1 34 34 ASN C C 13 175.832 0.00 . 1 . . . . . 63 ASN C . 50538 1 108 . 1 . 1 34 34 ASN CA C 13 53.936 0.05 . 1 . . . . . 63 ASN CA . 50538 1 109 . 1 . 1 34 34 ASN CB C 13 36.439 0.05 . 1 . . . . . 63 ASN CB . 50538 1 110 . 1 . 1 34 34 ASN N N 15 122.382 0.04 . 1 . . . . . 63 ASN N . 50538 1 111 . 1 . 1 35 35 GLU H H 1 7.472 0.00 . 1 . . . . . 64 GLU H . 50538 1 112 . 1 . 1 35 35 GLU C C 13 176.446 0.00 . 1 . . . . . 64 GLU C . 50538 1 113 . 1 . 1 35 35 GLU CA C 13 59.070 0.08 . 1 . . . . . 64 GLU CA . 50538 1 114 . 1 . 1 35 35 GLU CB C 13 29.182 0.04 . 1 . . . . . 64 GLU CB . 50538 1 115 . 1 . 1 35 35 GLU N N 15 116.668 0.08 . 1 . . . . . 64 GLU N . 50538 1 116 . 1 . 1 36 36 ASN H H 1 8.341 0.00 . 1 . . . . . 65 ASN H . 50538 1 117 . 1 . 1 36 36 ASN C C 13 175.394 0.00 . 1 . . . . . 65 ASN C . 50538 1 118 . 1 . 1 36 36 ASN CA C 13 53.089 0.07 . 1 . . . . . 65 ASN CA . 50538 1 119 . 1 . 1 36 36 ASN CB C 13 37.508 0.05 . 1 . . . . . 65 ASN CB . 50538 1 120 . 1 . 1 36 36 ASN N N 15 112.960 0.09 . 1 . . . . . 65 ASN N . 50538 1 121 . 1 . 1 37 37 GLN H H 1 7.395 0.00 . 1 . . . . . 66 GLN H . 50538 1 122 . 1 . 1 37 37 GLN C C 13 174.854 0.00 . 1 . . . . . 66 GLN C . 50538 1 123 . 1 . 1 37 37 GLN CA C 13 56.038 0.08 . 1 . . . . . 66 GLN CA . 50538 1 124 . 1 . 1 37 37 GLN CB C 13 29.394 0.01 . 1 . . . . . 66 GLN CB . 50538 1 125 . 1 . 1 37 37 GLN N N 15 120.738 0.05 . 1 . . . . . 66 GLN N . 50538 1 126 . 1 . 1 38 38 ARG H H 1 8.218 0.00 . 1 . . . . . 67 ARG H . 50538 1 127 . 1 . 1 38 38 ARG C C 13 175.931 0.00 . 1 . . . . . 67 ARG C . 50538 1 128 . 1 . 1 38 38 ARG CA C 13 53.902 0.05 . 1 . . . . . 67 ARG CA . 50538 1 129 . 1 . 1 38 38 ARG CB C 13 32.264 0.01 . 1 . . . . . 67 ARG CB . 50538 1 130 . 1 . 1 38 38 ARG N N 15 121.850 0.05 . 1 . . . . . 67 ARG N . 50538 1 131 . 1 . 1 39 39 VAL H H 1 8.463 0.00 . 1 . . . . . 68 VAL H . 50538 1 132 . 1 . 1 39 39 VAL C C 13 175.971 0.00 . 1 . . . . . 68 VAL C . 50538 1 133 . 1 . 1 39 39 VAL CA C 13 61.953 0.08 . 1 . . . . . 68 VAL CA . 50538 1 134 . 1 . 1 39 39 VAL CB C 13 32.063 0.03 . 1 . . . . . 68 VAL CB . 50538 1 135 . 1 . 1 39 39 VAL N N 15 120.383 0.06 . 1 . . . . . 68 VAL N . 50538 1 136 . 1 . 1 40 40 SER H H 1 8.628 0.01 . 1 . . . . . 69 SER H . 50538 1 137 . 1 . 1 40 40 SER CA C 13 56.799 0.05 . 1 . . . . . 69 SER CA . 50538 1 138 . 1 . 1 40 40 SER CB C 13 62.839 0.02 . 1 . . . . . 69 SER CB . 50538 1 139 . 1 . 1 40 40 SER N N 15 120.635 0.03 . 1 . . . . . 69 SER N . 50538 1 140 . 1 . 1 41 41 MET H H 1 8.225 0.00 . 1 . . . . . 70 MET H . 50538 1 141 . 1 . 1 41 41 MET C C 13 175.840 0.00 . 1 . . . . . 70 MET C . 50538 1 142 . 1 . 1 41 41 MET CA C 13 54.771 0.07 . 1 . . . . . 70 MET CA . 50538 1 143 . 1 . 1 41 41 MET CB C 13 35.100 0.01 . 1 . . . . . 70 MET CB . 50538 1 144 . 1 . 1 41 41 MET N N 15 123.759 0.06 . 1 . . . . . 70 MET N . 50538 1 145 . 1 . 1 42 42 SER H H 1 8.410 0.00 . 1 . . . . . 71 SER H . 50538 1 146 . 1 . 1 42 42 SER C C 13 174.854 0.00 . 1 . . . . . 71 SER C . 50538 1 147 . 1 . 1 42 42 SER CA C 13 58.694 0.06 . 1 . . . . . 71 SER CA . 50538 1 148 . 1 . 1 42 42 SER CB C 13 62.912 0.06 . 1 . . . . . 71 SER CB . 50538 1 149 . 1 . 1 42 42 SER N N 15 116.723 0.02 . 1 . . . . . 71 SER N . 50538 1 150 . 1 . 1 43 43 ARG H H 1 8.444 0.00 . 1 . . . . . 72 ARG H . 50538 1 151 . 1 . 1 43 43 ARG C C 13 177.107 0.00 . 1 . . . . . 72 ARG C . 50538 1 152 . 1 . 1 43 43 ARG CA C 13 56.822 0.04 . 1 . . . . . 72 ARG CA . 50538 1 153 . 1 . 1 43 43 ARG CB C 13 29.281 0.03 . 1 . . . . . 72 ARG CB . 50538 1 154 . 1 . 1 43 43 ARG N N 15 124.881 0.04 . 1 . . . . . 72 ARG N . 50538 1 155 . 1 . 1 44 44 ASN H H 1 9.127 0.01 . 1 . . . . . 73 ASN H . 50538 1 156 . 1 . 1 44 44 ASN C C 13 175.923 0.00 . 1 . . . . . 73 ASN C . 50538 1 157 . 1 . 1 44 44 ASN CA C 13 54.200 0.07 . 1 . . . . . 73 ASN CA . 50538 1 158 . 1 . 1 44 44 ASN CB C 13 36.806 0.01 . 1 . . . . . 73 ASN CB . 50538 1 159 . 1 . 1 44 44 ASN N N 15 118.438 0.04 . 1 . . . . . 73 ASN N . 50538 1 160 . 1 . 1 45 45 ILE H H 1 7.384 0.00 . 1 . . . . . 74 ILE H . 50538 1 161 . 1 . 1 45 45 ILE C C 13 173.888 0.00 . 1 . . . . . 74 ILE C . 50538 1 162 . 1 . 1 45 45 ILE CA C 13 64.738 0.10 . 1 . . . . . 74 ILE CA . 50538 1 163 . 1 . 1 45 45 ILE CB C 13 36.751 0.08 . 1 . . . . . 74 ILE CB . 50538 1 164 . 1 . 1 45 45 ILE N N 15 118.392 0.06 . 1 . . . . . 74 ILE N . 50538 1 165 . 1 . 1 46 46 GLU H H 1 9.003 0.01 . 1 . . . . . 75 GLU H . 50538 1 166 . 1 . 1 46 46 GLU C C 13 175.285 0.00 . 1 . . . . . 75 GLU C . 50538 1 167 . 1 . 1 46 46 GLU CA C 13 57.048 0.01 . 1 . . . . . 75 GLU CA . 50538 1 168 . 1 . 1 46 46 GLU CB C 13 24.337 0.06 . 1 . . . . . 75 GLU CB . 50538 1 169 . 1 . 1 46 46 GLU N N 15 119.645 0.08 . 1 . . . . . 75 GLU N . 50538 1 170 . 1 . 1 47 47 SER H H 1 6.890 0.01 . 1 . . . . . 76 SER H . 50538 1 171 . 1 . 1 47 47 SER C C 13 175.687 0.00 . 1 . . . . . 76 SER C . 50538 1 172 . 1 . 1 47 47 SER CA C 13 58.126 0.15 . 1 . . . . . 76 SER CA . 50538 1 173 . 1 . 1 47 47 SER CB C 13 63.565 0.00 . 1 . . . . . 76 SER CB . 50538 1 174 . 1 . 1 47 47 SER N N 15 110.941 0.06 . 1 . . . . . 76 SER N . 50538 1 175 . 1 . 1 48 48 ARG H H 1 7.620 0.00 . 1 . . . . . 77 ARG H . 50538 1 176 . 1 . 1 48 48 ARG C C 13 176.277 0.00 . 1 . . . . . 77 ARG C . 50538 1 177 . 1 . 1 48 48 ARG CA C 13 56.043 0.04 . 1 . . . . . 77 ARG CA . 50538 1 178 . 1 . 1 48 48 ARG CB C 13 30.877 0.00 . 1 . . . . . 77 ARG CB . 50538 1 179 . 1 . 1 48 48 ARG N N 15 121.110 0.03 . 1 . . . . . 77 ARG N . 50538 1 180 . 1 . 1 49 49 SER H H 1 6.821 0.01 . 1 . . . . . 78 SER H . 50538 1 181 . 1 . 1 49 49 SER C C 13 175.807 0.00 . 1 . . . . . 78 SER C . 50538 1 182 . 1 . 1 49 49 SER CA C 13 56.150 0.07 . 1 . . . . . 78 SER CA . 50538 1 183 . 1 . 1 49 49 SER CB C 13 62.438 0.00 . 1 . . . . . 78 SER CB . 50538 1 184 . 1 . 1 49 49 SER N N 15 112.219 0.03 . 1 . . . . . 78 SER N . 50538 1 185 . 1 . 1 50 50 THR H H 1 9.097 0.00 . 1 . . . . . 79 THR H . 50538 1 186 . 1 . 1 50 50 THR C C 13 173.938 0.00 . 1 . . . . . 79 THR C . 50538 1 187 . 1 . 1 50 50 THR CA C 13 62.677 0.13 . 1 . . . . . 79 THR CA . 50538 1 188 . 1 . 1 50 50 THR CB C 13 69.049 0.06 . 1 . . . . . 79 THR CB . 50538 1 189 . 1 . 1 50 50 THR N N 15 116.660 0.05 . 1 . . . . . 79 THR N . 50538 1 190 . 1 . 1 51 51 SER H H 1 9.028 0.00 . 1 . . . . . 80 SER H . 50538 1 191 . 1 . 1 51 51 SER CA C 13 52.468 0.00 . 1 . . . . . 80 SER CA . 50538 1 192 . 1 . 1 51 51 SER CB C 13 65.575 0.00 . 1 . . . . . 80 SER CB . 50538 1 193 . 1 . 1 51 51 SER N N 15 115.874 0.04 . 1 . . . . . 80 SER N . 50538 1 194 . 1 . 1 52 52 PRO C C 13 176.553 0.00 . 1 . . . . . 81 PRO C . 50538 1 195 . 1 . 1 52 52 PRO CA C 13 63.393 0.10 . 1 . . . . . 81 PRO CA . 50538 1 196 . 1 . 1 52 52 PRO CB C 13 33.542 0.00 . 1 . . . . . 81 PRO CB . 50538 1 197 . 1 . 1 53 53 TRP H H 1 8.466 0.01 . 1 . . . . . 82 TRP H . 50538 1 198 . 1 . 1 53 53 TRP C C 13 172.391 0.00 . 1 . . . . . 82 TRP C . 50538 1 199 . 1 . 1 53 53 TRP CA C 13 56.512 0.06 . 1 . . . . . 82 TRP CA . 50538 1 200 . 1 . 1 53 53 TRP CB C 13 32.888 0.02 . 1 . . . . . 82 TRP CB . 50538 1 201 . 1 . 1 53 53 TRP N N 15 117.140 0.02 . 1 . . . . . 82 TRP N . 50538 1 202 . 1 . 1 54 54 ASN H H 1 8.380 0.00 . 1 . . . . . 83 ASN H . 50538 1 203 . 1 . 1 54 54 ASN C C 13 174.772 0.00 . 1 . . . . . 83 ASN C . 50538 1 204 . 1 . 1 54 54 ASN CA C 13 50.513 0.06 . 1 . . . . . 83 ASN CA . 50538 1 205 . 1 . 1 54 54 ASN CB C 13 41.248 0.01 . 1 . . . . . 83 ASN CB . 50538 1 206 . 1 . 1 54 54 ASN N N 15 115.835 0.06 . 1 . . . . . 83 ASN N . 50538 1 207 . 1 . 1 55 55 TYR H H 1 8.717 0.01 . 1 . . . . . 84 TYR H . 50538 1 208 . 1 . 1 55 55 TYR C C 13 176.622 0.00 . 1 . . . . . 84 TYR C . 50538 1 209 . 1 . 1 55 55 TYR CA C 13 57.077 0.02 . 1 . . . . . 84 TYR CA . 50538 1 210 . 1 . 1 55 55 TYR CB C 13 40.993 0.04 . 1 . . . . . 84 TYR CB . 50538 1 211 . 1 . 1 55 55 TYR N N 15 117.685 0.03 . 1 . . . . . 84 TYR N . 50538 1 212 . 1 . 1 56 56 THR H H 1 9.217 0.00 . 1 . . . . . 85 THR H . 50538 1 213 . 1 . 1 56 56 THR C C 13 173.083 0.00 . 1 . . . . . 85 THR C . 50538 1 214 . 1 . 1 56 56 THR CA C 13 60.867 0.10 . 1 . . . . . 85 THR CA . 50538 1 215 . 1 . 1 56 56 THR CB C 13 70.806 0.06 . 1 . . . . . 85 THR CB . 50538 1 216 . 1 . 1 56 56 THR N N 15 116.678 0.03 . 1 . . . . . 85 THR N . 50538 1 217 . 1 . 1 57 57 VAL H H 1 8.686 0.01 . 1 . . . . . 86 VAL H . 50538 1 218 . 1 . 1 57 57 VAL C C 13 175.922 0.00 . 1 . . . . . 86 VAL C . 50538 1 219 . 1 . 1 57 57 VAL CA C 13 61.661 0.07 . 1 . . . . . 86 VAL CA . 50538 1 220 . 1 . 1 57 57 VAL CB C 13 33.065 0.02 . 1 . . . . . 86 VAL CB . 50538 1 221 . 1 . 1 57 57 VAL N N 15 124.680 0.10 . 1 . . . . . 86 VAL N . 50538 1 222 . 1 . 1 58 58 THR H H 1 8.119 0.01 . 1 . . . . . 87 THR H . 50538 1 223 . 1 . 1 58 58 THR C C 13 172.733 0.00 . 1 . . . . . 87 THR C . 50538 1 224 . 1 . 1 58 58 THR CA C 13 59.659 0.07 . 1 . . . . . 87 THR CA . 50538 1 225 . 1 . 1 58 58 THR CB C 13 71.383 0.05 . 1 . . . . . 87 THR CB . 50538 1 226 . 1 . 1 58 58 THR N N 15 118.358 0.09 . 1 . . . . . 87 THR N . 50538 1 227 . 1 . 1 59 59 TRP H H 1 8.691 0.01 . 1 . . . . . 88 TRP H . 50538 1 228 . 1 . 1 59 59 TRP C C 13 175.010 0.00 . 1 . . . . . 88 TRP C . 50538 1 229 . 1 . 1 59 59 TRP CA C 13 56.272 0.04 . 1 . . . . . 88 TRP CA . 50538 1 230 . 1 . 1 59 59 TRP CB C 13 31.523 0.04 . 1 . . . . . 88 TRP CB . 50538 1 231 . 1 . 1 59 59 TRP N N 15 124.024 0.11 . 1 . . . . . 88 TRP N . 50538 1 232 . 1 . 1 60 60 ASP H H 1 7.745 0.01 . 1 . . . . . 89 ASP H . 50538 1 233 . 1 . 1 60 60 ASP CA C 13 49.849 0.00 . 1 . . . . . 89 ASP CA . 50538 1 234 . 1 . 1 60 60 ASP CB C 13 42.378 0.00 . 1 . . . . . 89 ASP CB . 50538 1 235 . 1 . 1 60 60 ASP N N 15 126.556 0.06 . 1 . . . . . 89 ASP N . 50538 1 236 . 1 . 1 61 61 PRO C C 13 177.298 0.00 . 1 . . . . . 90 PRO C . 50538 1 237 . 1 . 1 61 61 PRO CA C 13 62.875 0.15 . 1 . . . . . 90 PRO CA . 50538 1 238 . 1 . 1 61 61 PRO CB C 13 31.433 0.04 . 1 . . . . . 90 PRO CB . 50538 1 239 . 1 . 1 62 62 ASN H H 1 8.347 0.00 . 1 . . . . . 91 ASN H . 50538 1 240 . 1 . 1 62 62 ASN C C 13 171.814 0.00 . 1 . . . . . 91 ASN C . 50538 1 241 . 1 . 1 62 62 ASN CA C 13 52.776 0.09 . 1 . . . . . 91 ASN CA . 50538 1 242 . 1 . 1 62 62 ASN CB C 13 38.639 0.01 . 1 . . . . . 91 ASN CB . 50538 1 243 . 1 . 1 62 62 ASN N N 15 116.720 0.07 . 1 . . . . . 91 ASN N . 50538 1 244 . 1 . 1 63 63 ARG H H 1 7.533 0.00 . 1 . . . . . 92 ARG H . 50538 1 245 . 1 . 1 63 63 ARG C C 13 172.355 0.00 . 1 . . . . . 92 ARG C . 50538 1 246 . 1 . 1 63 63 ARG CA C 13 53.147 0.06 . 1 . . . . . 92 ARG CA . 50538 1 247 . 1 . 1 63 63 ARG CB C 13 34.118 0.04 . 1 . . . . . 92 ARG CB . 50538 1 248 . 1 . 1 63 63 ARG N N 15 122.160 0.07 . 1 . . . . . 92 ARG N . 50538 1 249 . 1 . 1 64 64 TYR H H 1 8.736 0.00 . 1 . . . . . 93 TYR H . 50538 1 250 . 1 . 1 64 64 TYR CA C 13 53.652 0.00 . 1 . . . . . 93 TYR CA . 50538 1 251 . 1 . 1 64 64 TYR CB C 13 39.498 0.00 . 1 . . . . . 93 TYR CB . 50538 1 252 . 1 . 1 64 64 TYR N N 15 124.086 0.04 . 1 . . . . . 93 TYR N . 50538 1 253 . 1 . 1 65 65 PRO CA C 13 61.752 0.08 . 1 . . . . . 94 PRO CA . 50538 1 254 . 1 . 1 65 65 PRO CB C 13 33.046 0.02 . 1 . . . . . 94 PRO CB . 50538 1 255 . 1 . 1 66 66 SER H H 1 8.287 0.01 . 1 . . . . . 95 SER H . 50538 1 256 . 1 . 1 66 66 SER C C 13 176.329 0.00 . 1 . . . . . 95 SER C . 50538 1 257 . 1 . 1 66 66 SER CA C 13 60.235 0.06 . 1 . . . . . 95 SER CA . 50538 1 258 . 1 . 1 66 66 SER CB C 13 62.544 0.05 . 1 . . . . . 95 SER CB . 50538 1 259 . 1 . 1 66 66 SER N N 15 119.054 0.04 . 1 . . . . . 95 SER N . 50538 1 260 . 1 . 1 67 67 GLU H H 1 8.068 0.00 . 1 . . . . . 96 GLU H . 50538 1 261 . 1 . 1 67 67 GLU C C 13 175.164 0.00 . 1 . . . . . 96 GLU C . 50538 1 262 . 1 . 1 67 67 GLU CA C 13 54.868 0.10 . 1 . . . . . 96 GLU CA . 50538 1 263 . 1 . 1 67 67 GLU CB C 13 30.439 0.01 . 1 . . . . . 96 GLU CB . 50538 1 264 . 1 . 1 67 67 GLU N N 15 123.296 0.04 . 1 . . . . . 96 GLU N . 50538 1 265 . 1 . 1 68 68 VAL H H 1 8.075 0.00 . 1 . . . . . 97 VAL H . 50538 1 266 . 1 . 1 68 68 VAL C C 13 175.620 0.00 . 1 . . . . . 97 VAL C . 50538 1 267 . 1 . 1 68 68 VAL CA C 13 61.512 0.10 . 1 . . . . . 97 VAL CA . 50538 1 268 . 1 . 1 68 68 VAL CB C 13 33.594 0.01 . 1 . . . . . 97 VAL CB . 50538 1 269 . 1 . 1 68 68 VAL N N 15 124.397 0.05 . 1 . . . . . 97 VAL N . 50538 1 270 . 1 . 1 69 69 VAL H H 1 8.679 0.01 . 1 . . . . . 98 VAL H . 50538 1 271 . 1 . 1 69 69 VAL C C 13 175.536 0.00 . 1 . . . . . 98 VAL C . 50538 1 272 . 1 . 1 69 69 VAL CA C 13 61.379 0.08 . 1 . . . . . 98 VAL CA . 50538 1 273 . 1 . 1 69 69 VAL CB C 13 31.966 0.03 . 1 . . . . . 98 VAL CB . 50538 1 274 . 1 . 1 69 69 VAL N N 15 130.767 0.09 . 1 . . . . . 98 VAL N . 50538 1 275 . 1 . 1 70 70 GLN H H 1 8.758 0.00 . 1 . . . . . 99 GLN H . 50538 1 276 . 1 . 1 70 70 GLN C C 13 175.592 0.00 . 1 . . . . . 99 GLN C . 50538 1 277 . 1 . 1 70 70 GLN CA C 13 54.059 0.03 . 1 . . . . . 99 GLN CA . 50538 1 278 . 1 . 1 70 70 GLN CB C 13 30.238 0.01 . 1 . . . . . 99 GLN CB . 50538 1 279 . 1 . 1 70 70 GLN N N 15 124.436 0.06 . 1 . . . . . 99 GLN N . 50538 1 280 . 1 . 1 71 71 ALA H H 1 8.188 0.01 . 1 . . . . . 100 ALA H . 50538 1 281 . 1 . 1 71 71 ALA C C 13 176.701 0.00 . 1 . . . . . 100 ALA C . 50538 1 282 . 1 . 1 71 71 ALA CA C 13 49.886 0.09 . 1 . . . . . 100 ALA CA . 50538 1 283 . 1 . 1 71 71 ALA CB C 13 20.720 0.02 . 1 . . . . . 100 ALA CB . 50538 1 284 . 1 . 1 71 71 ALA N N 15 124.795 0.07 . 1 . . . . . 100 ALA N . 50538 1 285 . 1 . 1 72 72 GLN H H 1 8.232 0.00 . 1 . . . . . 101 GLN H . 50538 1 286 . 1 . 1 72 72 GLN C C 13 175.624 0.00 . 1 . . . . . 101 GLN C . 50538 1 287 . 1 . 1 72 72 GLN CA C 13 54.054 0.03 . 1 . . . . . 101 GLN CA . 50538 1 288 . 1 . 1 72 72 GLN CB C 13 31.249 0.03 . 1 . . . . . 101 GLN CB . 50538 1 289 . 1 . 1 72 72 GLN N N 15 116.287 0.05 . 1 . . . . . 101 GLN N . 50538 1 290 . 1 . 1 73 73 CYS H H 1 8.955 0.01 . 1 . . . . . 102 CYS H . 50538 1 291 . 1 . 1 73 73 CYS C C 13 175.780 0.00 . 1 . . . . . 102 CYS C . 50538 1 292 . 1 . 1 73 73 CYS CA C 13 54.525 0.04 . 1 . . . . . 102 CYS CA . 50538 1 293 . 1 . 1 73 73 CYS CB C 13 36.533 0.09 . 1 . . . . . 102 CYS CB . 50538 1 294 . 1 . 1 73 73 CYS N N 15 123.684 0.04 . 1 . . . . . 102 CYS N . 50538 1 295 . 1 . 1 74 74 ARG H H 1 8.660 0.00 . 1 . . . . . 103 ARG H . 50538 1 296 . 1 . 1 74 74 ARG C C 13 175.975 0.00 . 1 . . . . . 103 ARG C . 50538 1 297 . 1 . 1 74 74 ARG CA C 13 58.389 0.06 . 1 . . . . . 103 ARG CA . 50538 1 298 . 1 . 1 74 74 ARG CB C 13 31.418 0.04 . 1 . . . . . 103 ARG CB . 50538 1 299 . 1 . 1 74 74 ARG N N 15 123.760 0.05 . 1 . . . . . 103 ARG N . 50538 1 300 . 1 . 1 75 75 ASN H H 1 9.025 0.00 . 1 . . . . . 104 ASN H . 50538 1 301 . 1 . 1 75 75 ASN C C 13 174.071 0.00 . 1 . . . . . 104 ASN C . 50538 1 302 . 1 . 1 75 75 ASN CA C 13 51.769 0.06 . 1 . . . . . 104 ASN CA . 50538 1 303 . 1 . 1 75 75 ASN CB C 13 41.571 0.03 . 1 . . . . . 104 ASN CB . 50538 1 304 . 1 . 1 75 75 ASN N N 15 117.020 0.04 . 1 . . . . . 104 ASN N . 50538 1 305 . 1 . 1 76 76 LEU H H 1 8.299 0.01 . 1 . . . . . 105 LEU H . 50538 1 306 . 1 . 1 76 76 LEU C C 13 180.761 0.00 . 1 . . . . . 105 LEU C . 50538 1 307 . 1 . 1 76 76 LEU CA C 13 56.923 0.02 . 1 . . . . . 105 LEU CA . 50538 1 308 . 1 . 1 76 76 LEU CB C 13 41.644 0.04 . 1 . . . . . 105 LEU CB . 50538 1 309 . 1 . 1 76 76 LEU N N 15 121.046 0.04 . 1 . . . . . 105 LEU N . 50538 1 310 . 1 . 1 77 77 GLY H H 1 9.005 0.01 . 1 . . . . . 106 GLY H . 50538 1 311 . 1 . 1 77 77 GLY C C 13 173.583 0.00 . 1 . . . . . 106 GLY C . 50538 1 312 . 1 . 1 77 77 GLY CA C 13 43.895 0.05 . 1 . . . . . 106 GLY CA . 50538 1 313 . 1 . 1 77 77 GLY N N 15 108.865 0.04 . 1 . . . . . 106 GLY N . 50538 1 314 . 1 . 1 78 78 CYS H H 1 7.381 0.00 . 1 . . . . . 107 CYS H . 50538 1 315 . 1 . 1 78 78 CYS C C 13 172.565 0.00 . 1 . . . . . 107 CYS C . 50538 1 316 . 1 . 1 78 78 CYS CA C 13 52.875 0.04 . 1 . . . . . 107 CYS CA . 50538 1 317 . 1 . 1 78 78 CYS CB C 13 44.182 0.07 . 1 . . . . . 107 CYS CB . 50538 1 318 . 1 . 1 78 78 CYS N N 15 115.219 0.06 . 1 . . . . . 107 CYS N . 50538 1 319 . 1 . 1 79 79 ILE H H 1 9.859 0.00 . 1 . . . . . 108 ILE H . 50538 1 320 . 1 . 1 79 79 ILE C C 13 176.344 0.00 . 1 . . . . . 108 ILE C . 50538 1 321 . 1 . 1 79 79 ILE CA C 13 58.708 0.05 . 1 . . . . . 108 ILE CA . 50538 1 322 . 1 . 1 79 79 ILE CB C 13 36.477 0.02 . 1 . . . . . 108 ILE CB . 50538 1 323 . 1 . 1 79 79 ILE N N 15 124.122 0.05 . 1 . . . . . 108 ILE N . 50538 1 324 . 1 . 1 80 80 ASN H H 1 8.499 0.00 . 1 . . . . . 109 ASN H . 50538 1 325 . 1 . 1 80 80 ASN C C 13 177.625 0.00 . 1 . . . . . 109 ASN C . 50538 1 326 . 1 . 1 80 80 ASN CA C 13 50.581 0.06 . 1 . . . . . 109 ASN CA . 50538 1 327 . 1 . 1 80 80 ASN CB C 13 38.972 0.03 . 1 . . . . . 109 ASN CB . 50538 1 328 . 1 . 1 80 80 ASN N N 15 124.942 0.06 . 1 . . . . . 109 ASN N . 50538 1 329 . 1 . 1 81 81 ALA H H 1 8.369 0.00 . 1 . . . . . 110 ALA H . 50538 1 330 . 1 . 1 81 81 ALA C C 13 178.563 0.00 . 1 . . . . . 110 ALA C . 50538 1 331 . 1 . 1 81 81 ALA CA C 13 54.118 0.03 . 1 . . . . . 110 ALA CA . 50538 1 332 . 1 . 1 81 81 ALA CB C 13 17.629 0.04 . 1 . . . . . 110 ALA CB . 50538 1 333 . 1 . 1 81 81 ALA N N 15 119.787 0.03 . 1 . . . . . 110 ALA N . 50538 1 334 . 1 . 1 82 82 GLN H H 1 7.559 0.00 . 1 . . . . . 111 GLN H . 50538 1 335 . 1 . 1 82 82 GLN C C 13 176.334 0.00 . 1 . . . . . 111 GLN C . 50538 1 336 . 1 . 1 82 82 GLN CA C 13 55.483 0.02 . 1 . . . . . 111 GLN CA . 50538 1 337 . 1 . 1 82 82 GLN CB C 13 28.169 0.01 . 1 . . . . . 111 GLN CB . 50538 1 338 . 1 . 1 82 82 GLN N N 15 114.643 0.05 . 1 . . . . . 111 GLN N . 50538 1 339 . 1 . 1 83 83 GLY H H 1 8.170 0.00 . 1 . . . . . 112 GLY H . 50538 1 340 . 1 . 1 83 83 GLY C C 13 173.940 0.00 . 1 . . . . . 112 GLY C . 50538 1 341 . 1 . 1 83 83 GLY CA C 13 45.186 0.03 . 1 . . . . . 112 GLY CA . 50538 1 342 . 1 . 1 83 83 GLY N N 15 108.097 0.08 . 1 . . . . . 112 GLY N . 50538 1 343 . 1 . 1 84 84 LYS H H 1 7.618 0.00 . 1 . . . . . 113 LYS H . 50538 1 344 . 1 . 1 84 84 LYS C C 13 175.067 0.00 . 1 . . . . . 113 LYS C . 50538 1 345 . 1 . 1 84 84 LYS CA C 13 53.582 0.04 . 1 . . . . . 113 LYS CA . 50538 1 346 . 1 . 1 84 84 LYS CB C 13 33.171 0.01 . 1 . . . . . 113 LYS CB . 50538 1 347 . 1 . 1 84 84 LYS N N 15 120.498 0.06 . 1 . . . . . 113 LYS N . 50538 1 348 . 1 . 1 85 85 GLU H H 1 8.516 0.00 . 1 . . . . . 114 GLU H . 50538 1 349 . 1 . 1 85 85 GLU C C 13 175.055 0.00 . 1 . . . . . 114 GLU C . 50538 1 350 . 1 . 1 85 85 GLU CA C 13 56.274 0.06 . 1 . . . . . 114 GLU CA . 50538 1 351 . 1 . 1 85 85 GLU CB C 13 29.547 0.01 . 1 . . . . . 114 GLU CB . 50538 1 352 . 1 . 1 85 85 GLU N N 15 123.362 0.06 . 1 . . . . . 114 GLU N . 50538 1 353 . 1 . 1 86 86 ASP H H 1 9.269 0.00 . 1 . . . . . 115 ASP H . 50538 1 354 . 1 . 1 86 86 ASP C C 13 177.196 0.00 . 1 . . . . . 115 ASP C . 50538 1 355 . 1 . 1 86 86 ASP CA C 13 52.180 0.08 . 1 . . . . . 115 ASP CA . 50538 1 356 . 1 . 1 86 86 ASP CB C 13 41.251 0.06 . 1 . . . . . 115 ASP CB . 50538 1 357 . 1 . 1 86 86 ASP N N 15 129.717 0.06 . 1 . . . . . 115 ASP N . 50538 1 358 . 1 . 1 87 87 ILE H H 1 8.167 0.00 . 1 . . . . . 116 ILE H . 50538 1 359 . 1 . 1 87 87 ILE C C 13 176.714 0.00 . 1 . . . . . 116 ILE C . 50538 1 360 . 1 . 1 87 87 ILE CA C 13 61.281 0.10 . 1 . . . . . 116 ILE CA . 50538 1 361 . 1 . 1 87 87 ILE CB C 13 36.760 0.06 . 1 . . . . . 116 ILE CB . 50538 1 362 . 1 . 1 87 87 ILE N N 15 118.439 0.05 . 1 . . . . . 116 ILE N . 50538 1 363 . 1 . 1 88 88 SER H H 1 8.840 0.00 . 1 . . . . . 117 SER H . 50538 1 364 . 1 . 1 88 88 SER C C 13 173.406 0.00 . 1 . . . . . 117 SER C . 50538 1 365 . 1 . 1 88 88 SER CA C 13 59.858 0.07 . 1 . . . . . 117 SER CA . 50538 1 366 . 1 . 1 88 88 SER CB C 13 62.470 0.01 . 1 . . . . . 117 SER CB . 50538 1 367 . 1 . 1 88 88 SER N N 15 119.288 0.05 . 1 . . . . . 117 SER N . 50538 1 368 . 1 . 1 89 89 MET H H 1 7.195 0.01 . 1 . . . . . 118 MET H . 50538 1 369 . 1 . 1 89 89 MET C C 13 173.909 0.00 . 1 . . . . . 118 MET C . 50538 1 370 . 1 . 1 89 89 MET CA C 13 53.446 0.04 . 1 . . . . . 118 MET CA . 50538 1 371 . 1 . 1 89 89 MET CB C 13 34.895 0.04 . 1 . . . . . 118 MET CB . 50538 1 372 . 1 . 1 89 89 MET N N 15 120.039 0.05 . 1 . . . . . 118 MET N . 50538 1 373 . 1 . 1 90 90 ASN H H 1 8.540 0.01 . 1 . . . . . 119 ASN H . 50538 1 374 . 1 . 1 90 90 ASN C C 13 175.361 0.00 . 1 . . . . . 119 ASN C . 50538 1 375 . 1 . 1 90 90 ASN CA C 13 51.669 0.05 . 1 . . . . . 119 ASN CA . 50538 1 376 . 1 . 1 90 90 ASN CB C 13 42.524 0.05 . 1 . . . . . 119 ASN CB . 50538 1 377 . 1 . 1 90 90 ASN N N 15 114.117 0.06 . 1 . . . . . 119 ASN N . 50538 1 378 . 1 . 1 91 91 SER H H 1 7.938 0.01 . 1 . . . . . 120 SER H . 50538 1 379 . 1 . 1 91 91 SER C C 13 174.558 0.00 . 1 . . . . . 120 SER C . 50538 1 380 . 1 . 1 91 91 SER CA C 13 59.333 0.04 . 1 . . . . . 120 SER CA . 50538 1 381 . 1 . 1 91 91 SER CB C 13 63.934 0.05 . 1 . . . . . 120 SER CB . 50538 1 382 . 1 . 1 91 91 SER N N 15 120.173 0.08 . 1 . . . . . 120 SER N . 50538 1 383 . 1 . 1 92 92 VAL H H 1 9.359 0.00 . 1 . . . . . 121 VAL H . 50538 1 384 . 1 . 1 92 92 VAL CA C 13 57.213 0.00 . 1 . . . . . 121 VAL CA . 50538 1 385 . 1 . 1 92 92 VAL CB C 13 33.816 0.00 . 1 . . . . . 121 VAL CB . 50538 1 386 . 1 . 1 92 92 VAL N N 15 121.189 0.10 . 1 . . . . . 121 VAL N . 50538 1 387 . 1 . 1 93 93 PRO C C 13 175.761 0.00 . 1 . . . . . 122 PRO C . 50538 1 388 . 1 . 1 93 93 PRO CA C 13 61.731 0.00 . 1 . . . . . 122 PRO CA . 50538 1 389 . 1 . 1 94 94 ILE H H 1 8.100 0.00 . 1 . . . . . 123 ILE H . 50538 1 390 . 1 . 1 94 94 ILE C C 13 175.285 0.00 . 1 . . . . . 123 ILE C . 50538 1 391 . 1 . 1 94 94 ILE CA C 13 59.620 0.08 . 1 . . . . . 123 ILE CA . 50538 1 392 . 1 . 1 94 94 ILE CB C 13 38.826 0.05 . 1 . . . . . 123 ILE CB . 50538 1 393 . 1 . 1 94 94 ILE N N 15 118.164 0.04 . 1 . . . . . 123 ILE N . 50538 1 394 . 1 . 1 95 95 GLN H H 1 8.295 0.00 . 1 . . . . . 124 GLN H . 50538 1 395 . 1 . 1 95 95 GLN C C 13 173.611 0.00 . 1 . . . . . 124 GLN C . 50538 1 396 . 1 . 1 95 95 GLN CA C 13 53.628 0.12 . 1 . . . . . 124 GLN CA . 50538 1 397 . 1 . 1 95 95 GLN CB C 13 33.337 0.09 . 1 . . . . . 124 GLN CB . 50538 1 398 . 1 . 1 95 95 GLN N N 15 126.241 0.08 . 1 . . . . . 124 GLN N . 50538 1 399 . 1 . 1 96 96 GLN H H 1 9.021 0.00 . 1 . . . . . 125 GLN H . 50538 1 400 . 1 . 1 96 96 GLN C C 13 174.857 0.00 . 1 . . . . . 125 GLN C . 50538 1 401 . 1 . 1 96 96 GLN CA C 13 53.259 0.09 . 1 . . . . . 125 GLN CA . 50538 1 402 . 1 . 1 96 96 GLN CB C 13 32.712 0.10 . 1 . . . . . 125 GLN CB . 50538 1 403 . 1 . 1 96 96 GLN N N 15 121.037 0.05 . 1 . . . . . 125 GLN N . 50538 1 404 . 1 . 1 97 97 GLU H H 1 8.818 0.00 . 1 . . . . . 126 GLU H . 50538 1 405 . 1 . 1 97 97 GLU C C 13 175.400 0.00 . 1 . . . . . 126 GLU C . 50538 1 406 . 1 . 1 97 97 GLU CA C 13 55.998 0.04 . 1 . . . . . 126 GLU CA . 50538 1 407 . 1 . 1 97 97 GLU CB C 13 30.044 0.07 . 1 . . . . . 126 GLU CB . 50538 1 408 . 1 . 1 97 97 GLU N N 15 126.355 0.06 . 1 . . . . . 126 GLU N . 50538 1 409 . 1 . 1 98 98 THR H H 1 8.738 0.01 . 1 . . . . . 127 THR H . 50538 1 410 . 1 . 1 98 98 THR C C 13 172.128 0.00 . 1 . . . . . 127 THR C . 50538 1 411 . 1 . 1 98 98 THR CA C 13 59.801 0.10 . 1 . . . . . 127 THR CA . 50538 1 412 . 1 . 1 98 98 THR CB C 13 70.993 0.04 . 1 . . . . . 127 THR CB . 50538 1 413 . 1 . 1 98 98 THR N N 15 119.043 0.07 . 1 . . . . . 127 THR N . 50538 1 414 . 1 . 1 99 99 LEU H H 1 7.749 0.01 . 1 . . . . . 128 LEU H . 50538 1 415 . 1 . 1 99 99 LEU C C 13 176.147 0.00 . 1 . . . . . 128 LEU C . 50538 1 416 . 1 . 1 99 99 LEU CA C 13 53.382 0.04 . 1 . . . . . 128 LEU CA . 50538 1 417 . 1 . 1 99 99 LEU CB C 13 43.119 0.06 . 1 . . . . . 128 LEU CB . 50538 1 418 . 1 . 1 99 99 LEU N N 15 122.866 0.08 . 1 . . . . . 128 LEU N . 50538 1 419 . 1 . 1 100 100 VAL H H 1 9.072 0.01 . 1 . . . . . 129 VAL H . 50538 1 420 . 1 . 1 100 100 VAL C C 13 173.963 0.00 . 1 . . . . . 129 VAL C . 50538 1 421 . 1 . 1 100 100 VAL CA C 13 58.101 0.06 . 1 . . . . . 129 VAL CA . 50538 1 422 . 1 . 1 100 100 VAL CB C 13 33.035 0.05 . 1 . . . . . 129 VAL CB . 50538 1 423 . 1 . 1 100 100 VAL N N 15 113.829 0.06 . 1 . . . . . 129 VAL N . 50538 1 424 . 1 . 1 101 101 VAL H H 1 9.071 0.00 . 1 . . . . . 130 VAL H . 50538 1 425 . 1 . 1 101 101 VAL C C 13 174.149 0.00 . 1 . . . . . 130 VAL C . 50538 1 426 . 1 . 1 101 101 VAL CA C 13 59.996 0.10 . 1 . . . . . 130 VAL CA . 50538 1 427 . 1 . 1 101 101 VAL CB C 13 33.311 0.04 . 1 . . . . . 130 VAL CB . 50538 1 428 . 1 . 1 101 101 VAL N N 15 118.131 0.05 . 1 . . . . . 130 VAL N . 50538 1 429 . 1 . 1 102 102 ARG H H 1 9.508 0.01 . 1 . . . . . 131 ARG H . 50538 1 430 . 1 . 1 102 102 ARG C C 13 175.350 0.00 . 1 . . . . . 131 ARG C . 50538 1 431 . 1 . 1 102 102 ARG CA C 13 53.617 0.09 . 1 . . . . . 131 ARG CA . 50538 1 432 . 1 . 1 102 102 ARG CB C 13 31.014 0.06 . 1 . . . . . 131 ARG CB . 50538 1 433 . 1 . 1 102 102 ARG N N 15 126.782 0.08 . 1 . . . . . 131 ARG N . 50538 1 434 . 1 . 1 103 103 ARG H H 1 8.654 0.00 . 1 . . . . . 132 ARG H . 50538 1 435 . 1 . 1 103 103 ARG C C 13 174.609 0.00 . 1 . . . . . 132 ARG C . 50538 1 436 . 1 . 1 103 103 ARG CA C 13 54.297 0.09 . 1 . . . . . 132 ARG CA . 50538 1 437 . 1 . 1 103 103 ARG CB C 13 32.240 0.02 . 1 . . . . . 132 ARG CB . 50538 1 438 . 1 . 1 103 103 ARG N N 15 125.048 0.04 . 1 . . . . . 132 ARG N . 50538 1 439 . 1 . 1 104 104 LYS H H 1 8.557 0.01 . 1 . . . . . 133 LYS H . 50538 1 440 . 1 . 1 104 104 LYS CA C 13 54.382 0.00 . 1 . . . . . 133 LYS CA . 50538 1 441 . 1 . 1 104 104 LYS CB C 13 33.002 0.00 . 1 . . . . . 133 LYS CB . 50538 1 442 . 1 . 1 104 104 LYS N N 15 126.163 0.05 . 1 . . . . . 133 LYS N . 50538 1 443 . 1 . 1 110 110 VAL C C 13 174.350 0.00 . 1 . . . . . 139 VAL C . 50538 1 444 . 1 . 1 110 110 VAL CA C 13 60.397 0.02 . 1 . . . . . 139 VAL CA . 50538 1 445 . 1 . 1 111 111 SER H H 1 8.364 0.00 . 1 . . . . . 140 SER H . 50538 1 446 . 1 . 1 111 111 SER C C 13 170.977 0.00 . 1 . . . . . 140 SER C . 50538 1 447 . 1 . 1 111 111 SER CA C 13 56.634 0.09 . 1 . . . . . 140 SER CA . 50538 1 448 . 1 . 1 111 111 SER CB C 13 64.734 0.03 . 1 . . . . . 140 SER CB . 50538 1 449 . 1 . 1 111 111 SER N N 15 121.275 0.07 . 1 . . . . . 140 SER N . 50538 1 450 . 1 . 1 112 112 PHE H H 1 8.394 0.01 . 1 . . . . . 141 PHE H . 50538 1 451 . 1 . 1 112 112 PHE C C 13 174.155 0.00 . 1 . . . . . 141 PHE C . 50538 1 452 . 1 . 1 112 112 PHE CA C 13 56.109 0.03 . 1 . . . . . 141 PHE CA . 50538 1 453 . 1 . 1 112 112 PHE CB C 13 41.528 0.02 . 1 . . . . . 141 PHE CB . 50538 1 454 . 1 . 1 112 112 PHE N N 15 116.936 0.05 . 1 . . . . . 141 PHE N . 50538 1 455 . 1 . 1 113 113 GLN H H 1 9.098 0.00 . 1 . . . . . 142 GLN H . 50538 1 456 . 1 . 1 113 113 GLN C C 13 174.132 0.00 . 1 . . . . . 142 GLN C . 50538 1 457 . 1 . 1 113 113 GLN CA C 13 54.534 0.05 . 1 . . . . . 142 GLN CA . 50538 1 458 . 1 . 1 113 113 GLN CB C 13 32.607 0.11 . 1 . . . . . 142 GLN CB . 50538 1 459 . 1 . 1 113 113 GLN N N 15 121.379 0.06 . 1 . . . . . 142 GLN N . 50538 1 460 . 1 . 1 114 114 LEU H H 1 9.096 0.01 . 1 . . . . . 143 LEU H . 50538 1 461 . 1 . 1 114 114 LEU C C 13 175.433 0.00 . 1 . . . . . 143 LEU C . 50538 1 462 . 1 . 1 114 114 LEU CA C 13 54.527 0.05 . 1 . . . . . 143 LEU CA . 50538 1 463 . 1 . 1 114 114 LEU CB C 13 42.723 0.07 . 1 . . . . . 143 LEU CB . 50538 1 464 . 1 . 1 114 114 LEU N N 15 126.324 0.07 . 1 . . . . . 143 LEU N . 50538 1 465 . 1 . 1 115 115 GLU H H 1 8.792 0.00 . 1 . . . . . 144 GLU H . 50538 1 466 . 1 . 1 115 115 GLU C C 13 173.636 0.00 . 1 . . . . . 144 GLU C . 50538 1 467 . 1 . 1 115 115 GLU CA C 13 54.067 0.07 . 1 . . . . . 144 GLU CA . 50538 1 468 . 1 . 1 115 115 GLU CB C 13 32.590 0.06 . 1 . . . . . 144 GLU CB . 50538 1 469 . 1 . 1 115 115 GLU N N 15 122.049 0.05 . 1 . . . . . 144 GLU N . 50538 1 470 . 1 . 1 116 116 LYS H H 1 8.469 0.01 . 1 . . . . . 145 LYS H . 50538 1 471 . 1 . 1 116 116 LYS C C 13 175.515 0.00 . 1 . . . . . 145 LYS C . 50538 1 472 . 1 . 1 116 116 LYS CA C 13 55.243 0.04 . 1 . . . . . 145 LYS CA . 50538 1 473 . 1 . 1 116 116 LYS CB C 13 32.402 0.03 . 1 . . . . . 145 LYS CB . 50538 1 474 . 1 . 1 116 116 LYS N N 15 126.782 0.08 . 1 . . . . . 145 LYS N . 50538 1 475 . 1 . 1 117 117 VAL H H 1 8.935 0.00 . 1 . . . . . 146 VAL H . 50538 1 476 . 1 . 1 117 117 VAL C C 13 174.734 0.00 . 1 . . . . . 146 VAL C . 50538 1 477 . 1 . 1 117 117 VAL CA C 13 60.059 0.06 . 1 . . . . . 146 VAL CA . 50538 1 478 . 1 . 1 117 117 VAL CB C 13 34.557 0.03 . 1 . . . . . 146 VAL CB . 50538 1 479 . 1 . 1 117 117 VAL N N 15 127.064 0.06 . 1 . . . . . 146 VAL N . 50538 1 480 . 1 . 1 118 118 LEU H H 1 8.660 0.01 . 1 . . . . . 147 LEU H . 50538 1 481 . 1 . 1 118 118 LEU C C 13 176.434 0.00 . 1 . . . . . 147 LEU C . 50538 1 482 . 1 . 1 118 118 LEU CA C 13 53.401 0.06 . 1 . . . . . 147 LEU CA . 50538 1 483 . 1 . 1 118 118 LEU CB C 13 40.536 0.03 . 1 . . . . . 147 LEU CB . 50538 1 484 . 1 . 1 118 118 LEU N N 15 126.994 0.04 . 1 . . . . . 147 LEU N . 50538 1 485 . 1 . 1 119 119 VAL H H 1 8.768 0.01 . 1 . . . . . 148 VAL H . 50538 1 486 . 1 . 1 119 119 VAL C C 13 176.351 0.00 . 1 . . . . . 148 VAL C . 50538 1 487 . 1 . 1 119 119 VAL CA C 13 60.236 0.04 . 1 . . . . . 148 VAL CA . 50538 1 488 . 1 . 1 119 119 VAL CB C 13 34.052 0.01 . 1 . . . . . 148 VAL CB . 50538 1 489 . 1 . 1 119 119 VAL N N 15 125.799 0.08 . 1 . . . . . 148 VAL N . 50538 1 490 . 1 . 1 120 120 THR H H 1 9.141 0.00 . 1 . . . . . 149 THR H . 50538 1 491 . 1 . 1 120 120 THR C C 13 174.861 0.00 . 1 . . . . . 149 THR C . 50538 1 492 . 1 . 1 120 120 THR CA C 13 62.159 0.04 . 1 . . . . . 149 THR CA . 50538 1 493 . 1 . 1 120 120 THR CB C 13 67.447 0.01 . 1 . . . . . 149 THR CB . 50538 1 494 . 1 . 1 120 120 THR N N 15 124.608 0.06 . 1 . . . . . 149 THR N . 50538 1 495 . 1 . 1 121 121 VAL H H 1 8.362 0.00 . 1 . . . . . 150 VAL H . 50538 1 496 . 1 . 1 121 121 VAL C C 13 173.779 0.00 . 1 . . . . . 150 VAL C . 50538 1 497 . 1 . 1 121 121 VAL CA C 13 62.096 0.06 . 1 . . . . . 150 VAL CA . 50538 1 498 . 1 . 1 121 121 VAL N N 15 124.793 0.09 . 1 . . . . . 150 VAL N . 50538 1 499 . 1 . 1 122 122 GLY H H 1 6.635 0.01 . 1 . . . . . 151 GLY H . 50538 1 500 . 1 . 1 122 122 GLY C C 13 169.530 0.00 . 1 . . . . . 151 GLY C . 50538 1 501 . 1 . 1 122 122 GLY CA C 13 41.727 0.00 . 1 . . . . . 151 GLY CA . 50538 1 502 . 1 . 1 122 122 GLY N N 15 101.092 0.07 . 1 . . . . . 151 GLY N . 50538 1 503 . 1 . 1 123 123 CYS H H 1 5.280 0.00 . 1 . . . . . 152 CYS H . 50538 1 504 . 1 . 1 123 123 CYS C C 13 171.463 0.00 . 1 . . . . . 152 CYS C . 50538 1 505 . 1 . 1 123 123 CYS CA C 13 55.676 0.03 . 1 . . . . . 152 CYS CA . 50538 1 506 . 1 . 1 123 123 CYS CB C 13 48.873 0.10 . 1 . . . . . 152 CYS CB . 50538 1 507 . 1 . 1 123 123 CYS N N 15 115.176 0.02 . 1 . . . . . 152 CYS N . 50538 1 508 . 1 . 1 124 124 THR H H 1 9.120 0.00 . 1 . . . . . 153 THR H . 50538 1 509 . 1 . 1 124 124 THR C C 13 170.459 0.00 . 1 . . . . . 153 THR C . 50538 1 510 . 1 . 1 124 124 THR CA C 13 61.113 0.09 . 1 . . . . . 153 THR CA . 50538 1 511 . 1 . 1 124 124 THR CB C 13 70.683 0.05 . 1 . . . . . 153 THR CB . 50538 1 512 . 1 . 1 124 124 THR N N 15 119.766 0.07 . 1 . . . . . 153 THR N . 50538 1 513 . 1 . 1 125 125 CYS H H 1 8.542 0.01 . 1 . . . . . 154 CYS H . 50538 1 514 . 1 . 1 125 125 CYS C C 13 174.547 0.00 . 1 . . . . . 154 CYS C . 50538 1 515 . 1 . 1 125 125 CYS CA C 13 55.173 0.08 . 1 . . . . . 154 CYS CA . 50538 1 516 . 1 . 1 125 125 CYS CB C 13 43.574 0.02 . 1 . . . . . 154 CYS CB . 50538 1 517 . 1 . 1 125 125 CYS N N 15 124.491 0.06 . 1 . . . . . 154 CYS N . 50538 1 518 . 1 . 1 126 126 VAL H H 1 9.597 0.00 . 1 . . . . . 155 VAL H . 50538 1 519 . 1 . 1 126 126 VAL C C 13 175.780 0.00 . 1 . . . . . 155 VAL C . 50538 1 520 . 1 . 1 126 126 VAL CA C 13 58.450 0.05 . 1 . . . . . 155 VAL CA . 50538 1 521 . 1 . 1 126 126 VAL CB C 13 34.652 0.02 . 1 . . . . . 155 VAL CB . 50538 1 522 . 1 . 1 126 126 VAL N N 15 121.304 0.06 . 1 . . . . . 155 VAL N . 50538 1 523 . 1 . 1 127 127 THR H H 1 7.645 0.00 . 1 . . . . . 156 THR H . 50538 1 524 . 1 . 1 127 127 THR CA C 13 58.686 0.00 . 1 . . . . . 156 THR CA . 50538 1 525 . 1 . 1 127 127 THR CB C 13 68.494 0.00 . 1 . . . . . 156 THR CB . 50538 1 526 . 1 . 1 127 127 THR N N 15 115.706 0.03 . 1 . . . . . 156 THR N . 50538 1 527 . 1 . 1 128 128 PRO C C 13 176.678 0.00 . 1 . . . . . 157 PRO C . 50538 1 528 . 1 . 1 128 128 PRO CA C 13 62.803 0.12 . 1 . . . . . 157 PRO CA . 50538 1 529 . 1 . 1 128 128 PRO CB C 13 31.700 0.00 . 1 . . . . . 157 PRO CB . 50538 1 530 . 1 . 1 129 129 VAL H H 1 7.980 0.01 . 1 . . . . . 158 VAL H . 50538 1 531 . 1 . 1 129 129 VAL C C 13 175.598 0.00 . 1 . . . . . 158 VAL C . 50538 1 532 . 1 . 1 129 129 VAL CA C 13 62.029 0.07 . 1 . . . . . 158 VAL CA . 50538 1 533 . 1 . 1 129 129 VAL CB C 13 31.968 0.03 . 1 . . . . . 158 VAL CB . 50538 1 534 . 1 . 1 129 129 VAL N N 15 119.273 0.04 . 1 . . . . . 158 VAL N . 50538 1 535 . 1 . 1 130 130 ILE H H 1 8.014 0.00 . 1 . . . . . 159 ILE H . 50538 1 536 . 1 . 1 130 130 ILE C C 13 175.635 0.00 . 1 . . . . . 159 ILE C . 50538 1 537 . 1 . 1 130 130 ILE CA C 13 60.269 0.11 . 1 . . . . . 159 ILE CA . 50538 1 538 . 1 . 1 130 130 ILE CB C 13 37.846 0.03 . 1 . . . . . 159 ILE CB . 50538 1 539 . 1 . 1 130 130 ILE N N 15 124.690 0.02 . 1 . . . . . 159 ILE N . 50538 1 540 . 1 . 1 131 131 HIS H H 1 8.288 0.01 . 1 . . . . . 160 HIS H . 50538 1 541 . 1 . 1 131 131 HIS CA C 13 55.150 0.00 . 1 . . . . . 160 HIS CA . 50538 1 542 . 1 . 1 131 131 HIS CB C 13 29.772 0.00 . 1 . . . . . 160 HIS CB . 50538 1 543 . 1 . 1 131 131 HIS N N 15 124.238 0.08 . 1 . . . . . 160 HIS N . 50538 1 544 . 1 . 1 132 132 HIS C C 13 174.504 0.00 . 1 . . . . . 161 HIS C . 50538 1 545 . 1 . 1 132 132 HIS CA C 13 55.380 0.05 . 1 . . . . . 161 HIS CA . 50538 1 546 . 1 . 1 132 132 HIS CB C 13 29.779 0.01 . 1 . . . . . 161 HIS CB . 50538 1 547 . 1 . 1 133 133 VAL H H 1 8.108 0.01 . 1 . . . . . 162 VAL H . 50538 1 548 . 1 . 1 133 133 VAL C C 13 175.107 0.00 . 1 . . . . . 162 VAL C . 50538 1 549 . 1 . 1 133 133 VAL CA C 13 61.924 0.07 . 1 . . . . . 162 VAL CA . 50538 1 550 . 1 . 1 133 133 VAL CB C 13 32.111 0.00 . 1 . . . . . 162 VAL CB . 50538 1 551 . 1 . 1 133 133 VAL N N 15 122.617 0.03 . 1 . . . . . 162 VAL N . 50538 1 552 . 1 . 1 134 134 GLN H H 1 7.892 0.00 . 1 . . . . . 163 GLN H . 50538 1 553 . 1 . 1 134 134 GLN CA C 13 56.971 0.00 . 1 . . . . . 163 GLN CA . 50538 1 554 . 1 . 1 134 134 GLN CB C 13 29.953 0.00 . 1 . . . . . 163 GLN CB . 50538 1 555 . 1 . 1 134 134 GLN N N 15 128.773 0.04 . 1 . . . . . 163 GLN N . 50538 1 stop_ save_