data_52304 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52304 _Entry.Title ; Backbone chemical shifts for the human Fc gamma receptor 3a / CD16a soluble extracellular domain that is glycosylated with two N-glycans at N162 and N45 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-02 _Entry.Accession_date 2024-02-02 _Entry.Last_release_date 2024-02-05 _Entry.Original_release_date 2024-02-05 _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 1 _Entry.Generated_software_label $software_1 _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 Adam Barb . W. . 0000-0003-3290-8649 52304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 52304 '15N chemical shifts' 149 52304 '1H chemical shifts' 149 52304 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 . . 2024-08-16 . original BMRB . 52304 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52304 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone chemical shifts for the human Fc gamma receptor 3a / CD16a soluble extracellular domain that is glycosylated with two N-glycans at N162 and N45 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Adam Barb . W. . . 52304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52304 _Assembly.ID 1 _Assembly.Name CD16a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Enzyme_commission_number . _Assembly.Details 'glycosylated with two N-glycans at N162 and N45' _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 CD16a 1 $entity_1 . . yes native no no . . . 52304 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 29 29 SG . 1 . 1 CYS 71 71 SG . . . . . . . . . . . . 52304 1 2 disulfide single . 1 . 1 CYS 110 110 SG . 1 . 1 CYS 154 154 SG . . . . . . . . . . . . 52304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52304 _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 ; RTEDLPKAVVFLEPQWYRVL EKDSVTLKCQGAYSPEDQST QWFHNESLISSQASSYFIDA ATVDDSGEYRCQTQLSTLSD PVQLEVHIGWLLLQAPRWVF KEEDPIHLRCHSWKNTALHK VTYLQNGKGRKYFHHNSDFY IPKATLKDSGSYFCRGLVGS KNVSSETVQITITQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 175 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'binds antibodies' 52304 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 . ARG . 52304 1 2 . THR . 52304 1 3 . GLU . 52304 1 4 . ASP . 52304 1 5 . LEU . 52304 1 6 . PRO . 52304 1 7 . LYS . 52304 1 8 . ALA . 52304 1 9 . VAL . 52304 1 10 . VAL . 52304 1 11 . PHE . 52304 1 12 . LEU . 52304 1 13 . GLU . 52304 1 14 . PRO . 52304 1 15 . GLN . 52304 1 16 . TRP . 52304 1 17 . TYR . 52304 1 18 . ARG . 52304 1 19 . VAL . 52304 1 20 . LEU . 52304 1 21 . GLU . 52304 1 22 . LYS . 52304 1 23 . ASP . 52304 1 24 . SER . 52304 1 25 . VAL . 52304 1 26 . THR . 52304 1 27 . LEU . 52304 1 28 . LYS . 52304 1 29 . CYS . 52304 1 30 . GLN . 52304 1 31 . GLY . 52304 1 32 . ALA . 52304 1 33 . TYR . 52304 1 34 . SER . 52304 1 35 . PRO . 52304 1 36 . GLU . 52304 1 37 . ASP . 52304 1 38 . GLN . 52304 1 39 . SER . 52304 1 40 . THR . 52304 1 41 . GLN . 52304 1 42 . TRP . 52304 1 43 . PHE . 52304 1 44 . HIS . 52304 1 45 . ASN . 52304 1 46 . GLU . 52304 1 47 . SER . 52304 1 48 . LEU . 52304 1 49 . ILE . 52304 1 50 . SER . 52304 1 51 . SER . 52304 1 52 . GLN . 52304 1 53 . ALA . 52304 1 54 . SER . 52304 1 55 . SER . 52304 1 56 . TYR . 52304 1 57 . PHE . 52304 1 58 . ILE . 52304 1 59 . ASP . 52304 1 60 . ALA . 52304 1 61 . ALA . 52304 1 62 . THR . 52304 1 63 . VAL . 52304 1 64 . ASP . 52304 1 65 . ASP . 52304 1 66 . SER . 52304 1 67 . GLY . 52304 1 68 . GLU . 52304 1 69 . TYR . 52304 1 70 . ARG . 52304 1 71 . CYS . 52304 1 72 . GLN . 52304 1 73 . THR . 52304 1 74 . GLN . 52304 1 75 . LEU . 52304 1 76 . SER . 52304 1 77 . THR . 52304 1 78 . LEU . 52304 1 79 . SER . 52304 1 80 . ASP . 52304 1 81 . PRO . 52304 1 82 . VAL . 52304 1 83 . GLN . 52304 1 84 . LEU . 52304 1 85 . GLU . 52304 1 86 . VAL . 52304 1 87 . HIS . 52304 1 88 . ILE . 52304 1 89 . GLY . 52304 1 90 . TRP . 52304 1 91 . LEU . 52304 1 92 . LEU . 52304 1 93 . LEU . 52304 1 94 . GLN . 52304 1 95 . ALA . 52304 1 96 . PRO . 52304 1 97 . ARG . 52304 1 98 . TRP . 52304 1 99 . VAL . 52304 1 100 . PHE . 52304 1 101 . LYS . 52304 1 102 . GLU . 52304 1 103 . GLU . 52304 1 104 . ASP . 52304 1 105 . PRO . 52304 1 106 . ILE . 52304 1 107 . HIS . 52304 1 108 . LEU . 52304 1 109 . ARG . 52304 1 110 . CYS . 52304 1 111 . HIS . 52304 1 112 . SER . 52304 1 113 . TRP . 52304 1 114 . LYS . 52304 1 115 . ASN . 52304 1 116 . THR . 52304 1 117 . ALA . 52304 1 118 . LEU . 52304 1 119 . HIS . 52304 1 120 . LYS . 52304 1 121 . VAL . 52304 1 122 . THR . 52304 1 123 . TYR . 52304 1 124 . LEU . 52304 1 125 . GLN . 52304 1 126 . ASN . 52304 1 127 . GLY . 52304 1 128 . LYS . 52304 1 129 . GLY . 52304 1 130 . ARG . 52304 1 131 . LYS . 52304 1 132 . TYR . 52304 1 133 . PHE . 52304 1 134 . HIS . 52304 1 135 . HIS . 52304 1 136 . ASN . 52304 1 137 . SER . 52304 1 138 . ASP . 52304 1 139 . PHE . 52304 1 140 . TYR . 52304 1 141 . ILE . 52304 1 142 . PRO . 52304 1 143 . LYS . 52304 1 144 . ALA . 52304 1 145 . THR . 52304 1 146 . LEU . 52304 1 147 . LYS . 52304 1 148 . ASP . 52304 1 149 . SER . 52304 1 150 . GLY . 52304 1 151 . SER . 52304 1 152 . TYR . 52304 1 153 . PHE . 52304 1 154 . CYS . 52304 1 155 . ARG . 52304 1 156 . GLY . 52304 1 157 . LEU . 52304 1 158 . VAL . 52304 1 159 . GLY . 52304 1 160 . SER . 52304 1 161 . LYS . 52304 1 162 . ASN . 52304 1 163 . VAL . 52304 1 164 . SER . 52304 1 165 . SER . 52304 1 166 . GLU . 52304 1 167 . THR . 52304 1 168 . VAL . 52304 1 169 . GLN . 52304 1 170 . ILE . 52304 1 171 . THR . 52304 1 172 . ILE . 52304 1 173 . THR . 52304 1 174 . GLN . 52304 1 175 . GLY . 52304 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 . ARG 1 1 52304 1 . THR 2 2 52304 1 . GLU 3 3 52304 1 . ASP 4 4 52304 1 . LEU 5 5 52304 1 . PRO 6 6 52304 1 . LYS 7 7 52304 1 . ALA 8 8 52304 1 . VAL 9 9 52304 1 . VAL 10 10 52304 1 . PHE 11 11 52304 1 . LEU 12 12 52304 1 . GLU 13 13 52304 1 . PRO 14 14 52304 1 . GLN 15 15 52304 1 . TRP 16 16 52304 1 . TYR 17 17 52304 1 . ARG 18 18 52304 1 . VAL 19 19 52304 1 . LEU 20 20 52304 1 . GLU 21 21 52304 1 . LYS 22 22 52304 1 . ASP 23 23 52304 1 . SER 24 24 52304 1 . VAL 25 25 52304 1 . THR 26 26 52304 1 . LEU 27 27 52304 1 . LYS 28 28 52304 1 . CYS 29 29 52304 1 . GLN 30 30 52304 1 . GLY 31 31 52304 1 . ALA 32 32 52304 1 . TYR 33 33 52304 1 . SER 34 34 52304 1 . PRO 35 35 52304 1 . GLU 36 36 52304 1 . ASP 37 37 52304 1 . GLN 38 38 52304 1 . SER 39 39 52304 1 . THR 40 40 52304 1 . GLN 41 41 52304 1 . TRP 42 42 52304 1 . PHE 43 43 52304 1 . HIS 44 44 52304 1 . ASN 45 45 52304 1 . GLU 46 46 52304 1 . SER 47 47 52304 1 . LEU 48 48 52304 1 . ILE 49 49 52304 1 . SER 50 50 52304 1 . SER 51 51 52304 1 . GLN 52 52 52304 1 . ALA 53 53 52304 1 . SER 54 54 52304 1 . SER 55 55 52304 1 . TYR 56 56 52304 1 . PHE 57 57 52304 1 . ILE 58 58 52304 1 . ASP 59 59 52304 1 . ALA 60 60 52304 1 . ALA 61 61 52304 1 . THR 62 62 52304 1 . VAL 63 63 52304 1 . ASP 64 64 52304 1 . ASP 65 65 52304 1 . SER 66 66 52304 1 . GLY 67 67 52304 1 . GLU 68 68 52304 1 . TYR 69 69 52304 1 . ARG 70 70 52304 1 . CYS 71 71 52304 1 . GLN 72 72 52304 1 . THR 73 73 52304 1 . GLN 74 74 52304 1 . LEU 75 75 52304 1 . SER 76 76 52304 1 . THR 77 77 52304 1 . LEU 78 78 52304 1 . SER 79 79 52304 1 . ASP 80 80 52304 1 . PRO 81 81 52304 1 . VAL 82 82 52304 1 . GLN 83 83 52304 1 . LEU 84 84 52304 1 . GLU 85 85 52304 1 . VAL 86 86 52304 1 . HIS 87 87 52304 1 . ILE 88 88 52304 1 . GLY 89 89 52304 1 . TRP 90 90 52304 1 . LEU 91 91 52304 1 . LEU 92 92 52304 1 . LEU 93 93 52304 1 . GLN 94 94 52304 1 . ALA 95 95 52304 1 . PRO 96 96 52304 1 . ARG 97 97 52304 1 . TRP 98 98 52304 1 . VAL 99 99 52304 1 . PHE 100 100 52304 1 . LYS 101 101 52304 1 . GLU 102 102 52304 1 . GLU 103 103 52304 1 . ASP 104 104 52304 1 . PRO 105 105 52304 1 . ILE 106 106 52304 1 . HIS 107 107 52304 1 . LEU 108 108 52304 1 . ARG 109 109 52304 1 . CYS 110 110 52304 1 . HIS 111 111 52304 1 . SER 112 112 52304 1 . TRP 113 113 52304 1 . LYS 114 114 52304 1 . ASN 115 115 52304 1 . THR 116 116 52304 1 . ALA 117 117 52304 1 . LEU 118 118 52304 1 . HIS 119 119 52304 1 . LYS 120 120 52304 1 . VAL 121 121 52304 1 . THR 122 122 52304 1 . TYR 123 123 52304 1 . LEU 124 124 52304 1 . GLN 125 125 52304 1 . ASN 126 126 52304 1 . GLY 127 127 52304 1 . LYS 128 128 52304 1 . GLY 129 129 52304 1 . ARG 130 130 52304 1 . LYS 131 131 52304 1 . TYR 132 132 52304 1 . PHE 133 133 52304 1 . HIS 134 134 52304 1 . HIS 135 135 52304 1 . ASN 136 136 52304 1 . SER 137 137 52304 1 . ASP 138 138 52304 1 . PHE 139 139 52304 1 . TYR 140 140 52304 1 . ILE 141 141 52304 1 . PRO 142 142 52304 1 . LYS 143 143 52304 1 . ALA 144 144 52304 1 . THR 145 145 52304 1 . LEU 146 146 52304 1 . LYS 147 147 52304 1 . ASP 148 148 52304 1 . SER 149 149 52304 1 . GLY 150 150 52304 1 . SER 151 151 52304 1 . TYR 152 152 52304 1 . PHE 153 153 52304 1 . CYS 154 154 52304 1 . ARG 155 155 52304 1 . GLY 156 156 52304 1 . LEU 157 157 52304 1 . VAL 158 158 52304 1 . GLY 159 159 52304 1 . SER 160 160 52304 1 . LYS 161 161 52304 1 . ASN 162 162 52304 1 . VAL 163 163 52304 1 . SER 164 164 52304 1 . SER 165 165 52304 1 . GLU 166 166 52304 1 . THR 167 167 52304 1 . VAL 168 168 52304 1 . GLN 169 169 52304 1 . ILE 170 170 52304 1 . THR 171 171 52304 1 . ILE 172 172 52304 1 . THR 173 173 52304 1 . GLN 174 174 52304 1 . GLY 175 175 52304 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 52304 _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 . V158 . . . . . . . . . FCGR3A . 52304 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 52304 _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' 'Homo sapiens' . . . Homo sapiens HEK293F . . plasmid . . pGen2 . . . 52304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52304 _Sample.ID 1 _Sample.Name 'double labeled' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'grown in medium containing 13C-15N amino acids, Gln and Pro were added as unlabeled amino acids.' _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 'Fc gamma receptor 3a, V158 allotrope' '[U-95% 13C; U-90% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 52304 1 2 MOPS 'natural abundance' . . . . . . 25 . . mM . . . . 52304 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 52304 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52304 _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' 0.1 . M 52304 1 pH 7.2 . pH 52304 1 pressure 1 . atm 52304 1 temperature 298 . K 52304 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52304 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52304 1 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 52304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Ascend 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52304 _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 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52304 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52304 1 3 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52304 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 52304 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.07 internal indirect . . . . . . 52304 1 H 1 DSS 'methyl protons' . . . . ppm 0.07 internal direct 1 . . . . . 52304 1 N 15 DSS 'methyl protons' . . . . ppm 0.07 internal indirect . . . . . . 52304 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 52304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CD16a _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 . _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 '3D HNCA' . . . 52304 1 2 '3D HNCO' . . . 52304 1 3 '3D HN(CO)CA' . . . 52304 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52304 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 THR C C 13 174.67 0.25 . 1 . . . . . 2 THR C . 52304 1 2 . 1 . 1 3 3 GLU H H 1 8.47 0.02 . 1 . . . . . 3 GLU H . 52304 1 3 . 1 . 1 3 3 GLU C C 13 175.95 0.25 . 1 . . . . . 3 GLU C . 52304 1 4 . 1 . 1 3 3 GLU CA C 13 56.88 0.25 . 1 . . . . . 3 GLU CA . 52304 1 5 . 1 . 1 3 3 GLU N N 15 122.87 0.2 . 1 . . . . . 3 GLU N . 52304 1 6 . 1 . 1 4 4 ASP H H 1 8.15 0.02 . 1 . . . . . 4 ASP H . 52304 1 7 . 1 . 1 4 4 ASP C C 13 175.80 0.25 . 1 . . . . . 4 ASP C . 52304 1 8 . 1 . 1 4 4 ASP CA C 13 54.34 0.25 . 1 . . . . . 4 ASP CA . 52304 1 9 . 1 . 1 4 4 ASP N N 15 121.64 0.2 . 1 . . . . . 4 ASP N . 52304 1 10 . 1 . 1 5 5 LEU H H 1 7.96 0.02 . 1 . . . . . 5 LEU H . 52304 1 11 . 1 . 1 5 5 LEU CA C 13 52.92 0.25 . 1 . . . . . 5 LEU CA . 52304 1 12 . 1 . 1 5 5 LEU N N 15 123.34 0.2 . 1 . . . . . 5 LEU N . 52304 1 13 . 1 . 1 6 6 PRO C C 13 173.56 0.25 . 1 . . . . . 6 PRO C . 52304 1 14 . 1 . 1 7 7 LYS H H 1 8.47 0.02 . 1 . . . . . 7 LYS H . 52304 1 15 . 1 . 1 7 7 LYS C C 13 177.81 0.25 . 1 . . . . . 7 LYS C . 52304 1 16 . 1 . 1 7 7 LYS CA C 13 56.35 0.25 . 1 . . . . . 7 LYS CA . 52304 1 17 . 1 . 1 7 7 LYS N N 15 121.43 0.2 . 1 . . . . . 7 LYS N . 52304 1 18 . 1 . 1 8 8 ALA H H 1 8.61 0.02 . 1 . . . . . 8 ALA H . 52304 1 19 . 1 . 1 8 8 ALA C C 13 175.54 0.25 . 1 . . . . . 8 ALA C . 52304 1 20 . 1 . 1 8 8 ALA CA C 13 52.20 0.25 . 1 . . . . . 8 ALA CA . 52304 1 21 . 1 . 1 8 8 ALA N N 15 128.74 0.2 . 1 . . . . . 8 ALA N . 52304 1 22 . 1 . 1 9 9 VAL H H 1 8.11 0.02 . 1 . . . . . 9 VAL H . 52304 1 23 . 1 . 1 9 9 VAL C C 13 173.84 0.25 . 1 . . . . . 9 VAL C . 52304 1 24 . 1 . 1 9 9 VAL CA C 13 61.89 0.25 . 1 . . . . . 9 VAL CA . 52304 1 25 . 1 . 1 9 9 VAL N N 15 118.80 0.2 . 1 . . . . . 9 VAL N . 52304 1 26 . 1 . 1 10 10 VAL H H 1 8.22 0.02 . 1 . . . . . 10 VAL H . 52304 1 27 . 1 . 1 10 10 VAL C C 13 174.71 0.25 . 1 . . . . . 10 VAL C . 52304 1 28 . 1 . 1 10 10 VAL CA C 13 61.08 0.25 . 1 . . . . . 10 VAL CA . 52304 1 29 . 1 . 1 10 10 VAL N N 15 126.46 0.2 . 1 . . . . . 10 VAL N . 52304 1 30 . 1 . 1 11 11 PHE H H 1 9.30 0.02 . 1 . . . . . 11 PHE H . 52304 1 31 . 1 . 1 11 11 PHE C C 13 174.16 0.25 . 1 . . . . . 11 PHE C . 52304 1 32 . 1 . 1 11 11 PHE CA C 13 56.23 0.25 . 1 . . . . . 11 PHE CA . 52304 1 33 . 1 . 1 11 11 PHE N N 15 125.37 0.2 . 1 . . . . . 11 PHE N . 52304 1 34 . 1 . 1 12 12 LEU H H 1 8.29 0.02 . 1 . . . . . 12 LEU H . 52304 1 35 . 1 . 1 12 12 LEU C C 13 175.96 0.25 . 1 . . . . . 12 LEU C . 52304 1 36 . 1 . 1 12 12 LEU CA C 13 54.84 0.25 . 1 . . . . . 12 LEU CA . 52304 1 37 . 1 . 1 12 12 LEU N N 15 123.88 0.2 . 1 . . . . . 12 LEU N . 52304 1 38 . 1 . 1 13 13 GLU H H 1 8.97 0.02 . 1 . . . . . 13 GLU H . 52304 1 39 . 1 . 1 13 13 GLU CA C 13 53.33 0.25 . 1 . . . . . 13 GLU CA . 52304 1 40 . 1 . 1 13 13 GLU N N 15 123.88 0.2 . 1 . . . . . 13 GLU N . 52304 1 41 . 1 . 1 14 14 PRO C C 13 176.98 0.25 . 1 . . . . . 14 PRO C . 52304 1 42 . 1 . 1 15 15 GLN H H 1 7.90 0.02 . 1 . . . . . 15 GLN H . 52304 1 43 . 1 . 1 15 15 GLN C C 13 174.36 0.25 . 1 . . . . . 15 GLN C . 52304 1 44 . 1 . 1 15 15 GLN CA C 13 57.24 0.25 . 1 . . . . . 15 GLN CA . 52304 1 45 . 1 . 1 15 15 GLN N N 15 114.44 0.2 . 1 . . . . . 15 GLN N . 52304 1 46 . 1 . 1 16 16 TRP H H 1 6.08 0.02 . 1 . . . . . 16 TRP H . 52304 1 47 . 1 . 1 16 16 TRP C C 13 175.93 0.25 . 1 . . . . . 16 TRP C . 52304 1 48 . 1 . 1 16 16 TRP CA C 13 54.50 0.25 . 1 . . . . . 16 TRP CA . 52304 1 49 . 1 . 1 16 16 TRP N N 15 119.90 0.2 . 1 . . . . . 16 TRP N . 52304 1 50 . 1 . 1 17 17 TYR H H 1 8.00 0.02 . 1 . . . . . 17 TYR H . 52304 1 51 . 1 . 1 17 17 TYR C C 13 172.04 0.25 . 1 . . . . . 17 TYR C . 52304 1 52 . 1 . 1 17 17 TYR CA C 13 58.33 0.25 . 1 . . . . . 17 TYR CA . 52304 1 53 . 1 . 1 17 17 TYR N N 15 121.53 0.2 . 1 . . . . . 17 TYR N . 52304 1 54 . 1 . 1 18 18 ARG H H 1 6.71 0.02 . 1 . . . . . 18 ARG H . 52304 1 55 . 1 . 1 18 18 ARG C C 13 174.45 0.25 . 1 . . . . . 18 ARG C . 52304 1 56 . 1 . 1 18 18 ARG CA C 13 52.74 0.25 . 1 . . . . . 18 ARG CA . 52304 1 57 . 1 . 1 18 18 ARG N N 15 118.47 0.2 . 1 . . . . . 18 ARG N . 52304 1 58 . 1 . 1 19 19 VAL H H 1 9.04 0.02 . 1 . . . . . 19 VAL H . 52304 1 59 . 1 . 1 19 19 VAL C C 13 174.39 0.25 . 1 . . . . . 19 VAL C . 52304 1 60 . 1 . 1 19 19 VAL CA C 13 58.98 0.25 . 1 . . . . . 19 VAL CA . 52304 1 61 . 1 . 1 19 19 VAL N N 15 117.06 0.2 . 1 . . . . . 19 VAL N . 52304 1 62 . 1 . 1 20 20 LEU H H 1 8.70 0.02 . 1 . . . . . 20 LEU H . 52304 1 63 . 1 . 1 20 20 LEU C C 13 177.36 0.25 . 1 . . . . . 20 LEU C . 52304 1 64 . 1 . 1 20 20 LEU CA C 13 53.03 0.25 . 1 . . . . . 20 LEU CA . 52304 1 65 . 1 . 1 20 20 LEU N N 15 122.46 0.2 . 1 . . . . . 20 LEU N . 52304 1 66 . 1 . 1 21 21 GLU H H 1 7.89 0.02 . 1 . . . . . 21 GLU H . 52304 1 67 . 1 . 1 21 21 GLU C C 13 176.73 0.25 . 1 . . . . . 21 GLU C . 52304 1 68 . 1 . 1 21 21 GLU CA C 13 58.28 0.25 . 1 . . . . . 21 GLU CA . 52304 1 69 . 1 . 1 21 21 GLU N N 15 119.71 0.2 . 1 . . . . . 21 GLU N . 52304 1 70 . 1 . 1 22 22 LYS H H 1 9.52 0.02 . 1 . . . . . 22 LYS H . 52304 1 71 . 1 . 1 22 22 LYS C C 13 176.35 0.25 . 1 . . . . . 22 LYS C . 52304 1 72 . 1 . 1 22 22 LYS CA C 13 59.38 0.25 . 1 . . . . . 22 LYS CA . 52304 1 73 . 1 . 1 22 22 LYS N N 15 115.80 0.2 . 1 . . . . . 22 LYS N . 52304 1 74 . 1 . 1 23 23 ASP H H 1 8.43 0.02 . 1 . . . . . 23 ASP H . 52304 1 75 . 1 . 1 23 23 ASP C C 13 175.65 0.25 . 1 . . . . . 23 ASP C . 52304 1 76 . 1 . 1 23 23 ASP CA C 13 55.39 0.25 . 1 . . . . . 23 ASP CA . 52304 1 77 . 1 . 1 23 23 ASP N N 15 122.47 0.2 . 1 . . . . . 23 ASP N . 52304 1 78 . 1 . 1 24 24 SER H H 1 8.34 0.02 . 1 . . . . . 24 SER H . 52304 1 79 . 1 . 1 24 24 SER C C 13 174.45 0.25 . 1 . . . . . 24 SER C . 52304 1 80 . 1 . 1 24 24 SER CA C 13 56.57 0.25 . 1 . . . . . 24 SER CA . 52304 1 81 . 1 . 1 24 24 SER N N 15 114.88 0.2 . 1 . . . . . 24 SER N . 52304 1 82 . 1 . 1 25 25 VAL H H 1 8.60 0.02 . 1 . . . . . 25 VAL H . 52304 1 83 . 1 . 1 25 25 VAL C C 13 173.95 0.25 . 1 . . . . . 25 VAL C . 52304 1 84 . 1 . 1 25 25 VAL CA C 13 62.07 0.25 . 1 . . . . . 25 VAL CA . 52304 1 85 . 1 . 1 25 25 VAL N N 15 124.07 0.2 . 1 . . . . . 25 VAL N . 52304 1 86 . 1 . 1 26 26 THR H H 1 8.42 0.02 . 1 . . . . . 26 THR H . 52304 1 87 . 1 . 1 26 26 THR C C 13 172.08 0.25 . 1 . . . . . 26 THR C . 52304 1 88 . 1 . 1 26 26 THR CA C 13 62.00 0.25 . 1 . . . . . 26 THR CA . 52304 1 89 . 1 . 1 26 26 THR N N 15 123.02 0.2 . 1 . . . . . 26 THR N . 52304 1 90 . 1 . 1 27 27 LEU H H 1 8.90 0.02 . 1 . . . . . 27 LEU H . 52304 1 91 . 1 . 1 27 27 LEU C C 13 174.80 0.25 . 1 . . . . . 27 LEU C . 52304 1 92 . 1 . 1 27 27 LEU CA C 13 54.49 0.25 . 1 . . . . . 27 LEU CA . 52304 1 93 . 1 . 1 27 27 LEU N N 15 128.85 0.2 . 1 . . . . . 27 LEU N . 52304 1 94 . 1 . 1 28 28 LYS H H 1 9.34 0.02 . 1 . . . . . 28 LYS H . 52304 1 95 . 1 . 1 28 28 LYS C C 13 174.82 0.25 . 1 . . . . . 28 LYS C . 52304 1 96 . 1 . 1 28 28 LYS CA C 13 55.05 0.25 . 1 . . . . . 28 LYS CA . 52304 1 97 . 1 . 1 28 28 LYS N N 15 123.05 0.2 . 1 . . . . . 28 LYS N . 52304 1 98 . 1 . 1 29 29 CYS H H 1 8.90 0.02 . 1 . . . . . 29 CYS H . 52304 1 99 . 1 . 1 29 29 CYS C C 13 174.76 0.25 . 1 . . . . . 29 CYS C . 52304 1 100 . 1 . 1 29 29 CYS CA C 13 54.59 0.25 . 1 . . . . . 29 CYS CA . 52304 1 101 . 1 . 1 29 29 CYS N N 15 123.19 0.2 . 1 . . . . . 29 CYS N . 52304 1 102 . 1 . 1 30 30 GLN H H 1 9.75 0.02 . 1 . . . . . 30 GLN H . 52304 1 103 . 1 . 1 30 30 GLN C C 13 174.45 0.25 . 1 . . . . . 30 GLN C . 52304 1 104 . 1 . 1 30 30 GLN CA C 13 54.61 0.25 . 1 . . . . . 30 GLN CA . 52304 1 105 . 1 . 1 30 30 GLN N N 15 132.62 0.2 . 1 . . . . . 30 GLN N . 52304 1 106 . 1 . 1 31 31 GLY H H 1 7.72 0.02 . 1 . . . . . 31 GLY H . 52304 1 107 . 1 . 1 31 31 GLY C C 13 171.13 0.25 . 1 . . . . . 31 GLY C . 52304 1 108 . 1 . 1 31 31 GLY CA C 13 44.14 0.25 . 1 . . . . . 31 GLY CA . 52304 1 109 . 1 . 1 31 31 GLY N N 15 113.48 0.2 . 1 . . . . . 31 GLY N . 52304 1 110 . 1 . 1 32 32 ALA H H 1 8.03 0.02 . 1 . . . . . 32 ALA H . 52304 1 111 . 1 . 1 32 32 ALA C C 13 176.97 0.25 . 1 . . . . . 32 ALA C . 52304 1 112 . 1 . 1 32 32 ALA CA C 13 51.59 0.25 . 1 . . . . . 32 ALA CA . 52304 1 113 . 1 . 1 32 32 ALA N N 15 123.08 0.2 . 1 . . . . . 32 ALA N . 52304 1 114 . 1 . 1 33 33 TYR H H 1 8.47 0.02 . 1 . . . . . 33 TYR H . 52304 1 115 . 1 . 1 33 33 TYR C C 13 175.46 0.25 . 1 . . . . . 33 TYR C . 52304 1 116 . 1 . 1 33 33 TYR CA C 13 56.99 0.25 . 1 . . . . . 33 TYR CA . 52304 1 117 . 1 . 1 33 33 TYR N N 15 121.77 0.2 . 1 . . . . . 33 TYR N . 52304 1 118 . 1 . 1 34 34 SER H H 1 8.15 0.02 . 1 . . . . . 34 SER H . 52304 1 119 . 1 . 1 34 34 SER CA C 13 55.93 0.25 . 1 . . . . . 34 SER CA . 52304 1 120 . 1 . 1 34 34 SER N N 15 118.20 0.2 . 1 . . . . . 34 SER N . 52304 1 121 . 1 . 1 35 35 PRO C C 13 177.57 0.25 . 1 . . . . . 35 PRO C . 52304 1 122 . 1 . 1 36 36 GLU H H 1 8.12 0.02 . 1 . . . . . 36 GLU H . 52304 1 123 . 1 . 1 36 36 GLU C C 13 176.06 0.25 . 1 . . . . . 36 GLU C . 52304 1 124 . 1 . 1 36 36 GLU CA C 13 57.09 0.25 . 1 . . . . . 36 GLU CA . 52304 1 125 . 1 . 1 36 36 GLU N N 15 114.98 0.2 . 1 . . . . . 36 GLU N . 52304 1 126 . 1 . 1 37 37 ASP H H 1 7.71 0.02 . 1 . . . . . 37 ASP H . 52304 1 127 . 1 . 1 37 37 ASP CA C 13 54.46 0.25 . 1 . . . . . 37 ASP CA . 52304 1 128 . 1 . 1 37 37 ASP N N 15 120.26 0.2 . 1 . . . . . 37 ASP N . 52304 1 129 . 1 . 1 38 38 GLN C C 13 176.96 0.25 . 1 . . . . . 38 GLN C . 52304 1 130 . 1 . 1 39 39 SER H H 1 8.39 0.02 . 1 . . . . . 39 SER H . 52304 1 131 . 1 . 1 39 39 SER C C 13 173.82 0.25 . 1 . . . . . 39 SER C . 52304 1 132 . 1 . 1 39 39 SER CA C 13 60.00 0.25 . 1 . . . . . 39 SER CA . 52304 1 133 . 1 . 1 39 39 SER N N 15 117.45 0.2 . 1 . . . . . 39 SER N . 52304 1 134 . 1 . 1 40 40 THR H H 1 8.21 0.02 . 1 . . . . . 40 THR H . 52304 1 135 . 1 . 1 40 40 THR C C 13 172.72 0.25 . 1 . . . . . 40 THR C . 52304 1 136 . 1 . 1 40 40 THR CA C 13 62.65 0.25 . 1 . . . . . 40 THR CA . 52304 1 137 . 1 . 1 40 40 THR N N 15 122.16 0.2 . 1 . . . . . 40 THR N . 52304 1 138 . 1 . 1 41 41 GLN H H 1 8.43 0.02 . 1 . . . . . 41 GLN H . 52304 1 139 . 1 . 1 41 41 GLN C C 13 173.63 0.25 . 1 . . . . . 41 GLN C . 52304 1 140 . 1 . 1 41 41 GLN CA C 13 54.81 0.25 . 1 . . . . . 41 GLN CA . 52304 1 141 . 1 . 1 41 41 GLN N N 15 123.32 0.2 . 1 . . . . . 41 GLN N . 52304 1 142 . 1 . 1 42 42 TRP H H 1 8.87 0.02 . 1 . . . . . 42 TRP H . 52304 1 143 . 1 . 1 42 42 TRP C C 13 174.46 0.25 . 1 . . . . . 42 TRP C . 52304 1 144 . 1 . 1 42 42 TRP CA C 13 56.32 0.25 . 1 . . . . . 42 TRP CA . 52304 1 145 . 1 . 1 42 42 TRP N N 15 123.68 0.2 . 1 . . . . . 42 TRP N . 52304 1 146 . 1 . 1 43 43 PHE H H 1 9.09 0.02 . 1 . . . . . 43 PHE H . 52304 1 147 . 1 . 1 43 43 PHE C C 13 174.95 0.25 . 1 . . . . . 43 PHE C . 52304 1 148 . 1 . 1 43 43 PHE CA C 13 55.89 0.25 . 1 . . . . . 43 PHE CA . 52304 1 149 . 1 . 1 43 43 PHE N N 15 118.41 0.2 . 1 . . . . . 43 PHE N . 52304 1 150 . 1 . 1 44 44 HIS H H 1 9.04 0.02 . 1 . . . . . 44 HIS H . 52304 1 151 . 1 . 1 44 44 HIS C C 13 175.23 0.25 . 1 . . . . . 44 HIS C . 52304 1 152 . 1 . 1 44 44 HIS CA C 13 51.34 0.25 . 1 . . . . . 44 HIS CA . 52304 1 153 . 1 . 1 44 44 HIS N N 15 121.52 0.2 . 1 . . . . . 44 HIS N . 52304 1 154 . 1 . 1 45 45 ASN H H 1 10.01 0.02 . 1 . . . . . 45 ASN H . 52304 1 155 . 1 . 1 45 45 ASN CA C 13 53.59 0.25 . 1 . . . . . 45 ASN CA . 52304 1 156 . 1 . 1 45 45 ASN N N 15 130.12 0.2 . 1 . . . . . 45 ASN N . 52304 1 157 . 1 . 1 48 48 LEU C C 13 175.28 0.25 . 1 . . . . . 48 LEU C . 52304 1 158 . 1 . 1 49 49 ILE H H 1 8.60 0.02 . 1 . . . . . 49 ILE H . 52304 1 159 . 1 . 1 49 49 ILE C C 13 175.52 0.25 . 1 . . . . . 49 ILE C . 52304 1 160 . 1 . 1 49 49 ILE CA C 13 55.02 0.25 . 1 . . . . . 49 ILE CA . 52304 1 161 . 1 . 1 49 49 ILE N N 15 124.71 0.2 . 1 . . . . . 49 ILE N . 52304 1 162 . 1 . 1 50 50 SER H H 1 8.43 0.02 . 1 . . . . . 50 SER H . 52304 1 163 . 1 . 1 50 50 SER C C 13 175.15 0.25 . 1 . . . . . 50 SER C . 52304 1 164 . 1 . 1 50 50 SER CA C 13 60.02 0.25 . 1 . . . . . 50 SER CA . 52304 1 165 . 1 . 1 50 50 SER N N 15 118.18 0.2 . 1 . . . . . 50 SER N . 52304 1 166 . 1 . 1 51 51 SER H H 1 7.47 0.02 . 1 . . . . . 51 SER H . 52304 1 167 . 1 . 1 51 51 SER C C 13 174.74 0.25 . 1 . . . . . 51 SER C . 52304 1 168 . 1 . 1 51 51 SER CA C 13 59.51 0.25 . 1 . . . . . 51 SER CA . 52304 1 169 . 1 . 1 51 51 SER N N 15 117.18 0.2 . 1 . . . . . 51 SER N . 52304 1 170 . 1 . 1 52 52 GLN H H 1 8.74 0.02 . 1 . . . . . 52 GLN H . 52304 1 171 . 1 . 1 52 52 GLN C C 13 176.58 0.25 . 1 . . . . . 52 GLN C . 52304 1 172 . 1 . 1 52 52 GLN CA C 13 55.14 0.25 . 1 . . . . . 52 GLN CA . 52304 1 173 . 1 . 1 52 52 GLN N N 15 124.16 0.2 . 1 . . . . . 52 GLN N . 52304 1 174 . 1 . 1 53 53 ALA H H 1 7.96 0.02 . 1 . . . . . 53 ALA H . 52304 1 175 . 1 . 1 53 53 ALA C C 13 177.25 0.25 . 1 . . . . . 53 ALA C . 52304 1 176 . 1 . 1 53 53 ALA CA C 13 51.93 0.25 . 1 . . . . . 53 ALA CA . 52304 1 177 . 1 . 1 53 53 ALA N N 15 125.42 0.2 . 1 . . . . . 53 ALA N . 52304 1 178 . 1 . 1 54 54 SER H H 1 8.65 0.02 . 1 . . . . . 54 SER H . 52304 1 179 . 1 . 1 54 54 SER C C 13 174.24 0.25 . 1 . . . . . 54 SER C . 52304 1 180 . 1 . 1 54 54 SER CA C 13 60.93 0.25 . 1 . . . . . 54 SER CA . 52304 1 181 . 1 . 1 54 54 SER N N 15 114.95 0.2 . 1 . . . . . 54 SER N . 52304 1 182 . 1 . 1 55 55 SER H H 1 7.43 0.02 . 1 . . . . . 55 SER H . 52304 1 183 . 1 . 1 55 55 SER C C 13 172.03 0.25 . 1 . . . . . 55 SER C . 52304 1 184 . 1 . 1 55 55 SER CA C 13 56.81 0.25 . 1 . . . . . 55 SER CA . 52304 1 185 . 1 . 1 55 55 SER N N 15 114.38 0.2 . 1 . . . . . 55 SER N . 52304 1 186 . 1 . 1 56 56 TYR H H 1 9.30 0.02 . 1 . . . . . 56 TYR H . 52304 1 187 . 1 . 1 56 56 TYR C C 13 172.37 0.25 . 1 . . . . . 56 TYR C . 52304 1 188 . 1 . 1 56 56 TYR CA C 13 56.29 0.25 . 1 . . . . . 56 TYR CA . 52304 1 189 . 1 . 1 56 56 TYR N N 15 127.57 0.2 . 1 . . . . . 56 TYR N . 52304 1 190 . 1 . 1 57 57 PHE H H 1 7.72 0.02 . 1 . . . . . 57 PHE H . 52304 1 191 . 1 . 1 57 57 PHE C C 13 173.76 0.25 . 1 . . . . . 57 PHE C . 52304 1 192 . 1 . 1 57 57 PHE CA C 13 56.10 0.25 . 1 . . . . . 57 PHE CA . 52304 1 193 . 1 . 1 57 57 PHE N N 15 128.00 0.2 . 1 . . . . . 57 PHE N . 52304 1 194 . 1 . 1 58 58 ILE H H 1 8.43 0.02 . 1 . . . . . 58 ILE H . 52304 1 195 . 1 . 1 58 58 ILE C C 13 173.74 0.25 . 1 . . . . . 58 ILE C . 52304 1 196 . 1 . 1 58 58 ILE CA C 13 60.34 0.25 . 1 . . . . . 58 ILE CA . 52304 1 197 . 1 . 1 58 58 ILE N N 15 129.13 0.2 . 1 . . . . . 58 ILE N . 52304 1 198 . 1 . 1 59 59 ASP H H 1 7.82 0.02 . 1 . . . . . 59 ASP H . 52304 1 199 . 1 . 1 59 59 ASP C C 13 176.41 0.25 . 1 . . . . . 59 ASP C . 52304 1 200 . 1 . 1 59 59 ASP CA C 13 56.35 0.25 . 1 . . . . . 59 ASP CA . 52304 1 201 . 1 . 1 59 59 ASP N N 15 126.51 0.2 . 1 . . . . . 59 ASP N . 52304 1 202 . 1 . 1 60 60 ALA H H 1 7.72 0.02 . 1 . . . . . 60 ALA H . 52304 1 203 . 1 . 1 60 60 ALA C C 13 175.44 0.25 . 1 . . . . . 60 ALA C . 52304 1 204 . 1 . 1 60 60 ALA CA C 13 50.91 0.25 . 1 . . . . . 60 ALA CA . 52304 1 205 . 1 . 1 60 60 ALA N N 15 122.63 0.2 . 1 . . . . . 60 ALA N . 52304 1 206 . 1 . 1 61 61 ALA H H 1 9.02 0.02 . 1 . . . . . 61 ALA H . 52304 1 207 . 1 . 1 61 61 ALA C C 13 177.78 0.25 . 1 . . . . . 61 ALA C . 52304 1 208 . 1 . 1 61 61 ALA CA C 13 53.50 0.25 . 1 . . . . . 61 ALA CA . 52304 1 209 . 1 . 1 61 61 ALA N N 15 127.22 0.2 . 1 . . . . . 61 ALA N . 52304 1 210 . 1 . 1 62 62 THR H H 1 9.78 0.02 . 1 . . . . . 62 THR H . 52304 1 211 . 1 . 1 62 62 THR C C 13 176.63 0.25 . 1 . . . . . 62 THR C . 52304 1 212 . 1 . 1 62 62 THR CA C 13 59.54 0.25 . 1 . . . . . 62 THR CA . 52304 1 213 . 1 . 1 62 62 THR N N 15 115.92 0.2 . 1 . . . . . 62 THR N . 52304 1 214 . 1 . 1 63 63 VAL H H 1 9.15 0.02 . 1 . . . . . 63 VAL H . 52304 1 215 . 1 . 1 63 63 VAL C C 13 178.00 0.25 . 1 . . . . . 63 VAL C . 52304 1 216 . 1 . 1 63 63 VAL CA C 13 66.80 0.25 . 1 . . . . . 63 VAL CA . 52304 1 217 . 1 . 1 63 63 VAL N N 15 120.31 0.2 . 1 . . . . . 63 VAL N . 52304 1 218 . 1 . 1 64 64 ASP H H 1 7.74 0.02 . 1 . . . . . 64 ASP H . 52304 1 219 . 1 . 1 64 64 ASP CA C 13 56.29 0.25 . 1 . . . . . 64 ASP CA . 52304 1 220 . 1 . 1 64 64 ASP N N 15 118.94 0.2 . 1 . . . . . 64 ASP N . 52304 1 221 . 1 . 1 65 65 ASP C C 13 177.83 0.25 . 1 . . . . . 65 ASP C . 52304 1 222 . 1 . 1 66 66 SER H H 1 8.05 0.02 . 1 . . . . . 66 SER H . 52304 1 223 . 1 . 1 66 66 SER C C 13 174.22 0.25 . 1 . . . . . 66 SER C . 52304 1 224 . 1 . 1 66 66 SER CA C 13 60.11 0.25 . 1 . . . . . 66 SER CA . 52304 1 225 . 1 . 1 66 66 SER N N 15 116.98 0.2 . 1 . . . . . 66 SER N . 52304 1 226 . 1 . 1 67 67 GLY H H 1 9.74 0.02 . 1 . . . . . 67 GLY H . 52304 1 227 . 1 . 1 67 67 GLY C C 13 171.27 0.25 . 1 . . . . . 67 GLY C . 52304 1 228 . 1 . 1 67 67 GLY CA C 13 45.19 0.25 . 1 . . . . . 67 GLY CA . 52304 1 229 . 1 . 1 67 67 GLY N N 15 110.68 0.2 . 1 . . . . . 67 GLY N . 52304 1 230 . 1 . 1 68 68 GLU H H 1 7.90 0.02 . 1 . . . . . 68 GLU H . 52304 1 231 . 1 . 1 68 68 GLU C C 13 176.62 0.25 . 1 . . . . . 68 GLU C . 52304 1 232 . 1 . 1 68 68 GLU CA C 13 54.58 0.25 . 1 . . . . . 68 GLU CA . 52304 1 233 . 1 . 1 68 68 GLU N N 15 118.10 0.2 . 1 . . . . . 68 GLU N . 52304 1 234 . 1 . 1 69 69 TYR H H 1 9.49 0.02 . 1 . . . . . 69 TYR H . 52304 1 235 . 1 . 1 69 69 TYR C C 13 175.37 0.25 . 1 . . . . . 69 TYR C . 52304 1 236 . 1 . 1 69 69 TYR CA C 13 57.25 0.25 . 1 . . . . . 69 TYR CA . 52304 1 237 . 1 . 1 69 69 TYR N N 15 125.16 0.2 . 1 . . . . . 69 TYR N . 52304 1 238 . 1 . 1 70 70 ARG H H 1 8.90 0.02 . 1 . . . . . 70 ARG H . 52304 1 239 . 1 . 1 70 70 ARG C C 13 173.76 0.25 . 1 . . . . . 70 ARG C . 52304 1 240 . 1 . 1 70 70 ARG CA C 13 54.25 0.25 . 1 . . . . . 70 ARG CA . 52304 1 241 . 1 . 1 70 70 ARG N N 15 117.31 0.2 . 1 . . . . . 70 ARG N . 52304 1 242 . 1 . 1 71 71 CYS H H 1 8.32 0.02 . 1 . . . . . 71 CYS H . 52304 1 243 . 1 . 1 71 71 CYS C C 13 171.58 0.25 . 1 . . . . . 71 CYS C . 52304 1 244 . 1 . 1 71 71 CYS CA C 13 54.62 0.25 . 1 . . . . . 71 CYS CA . 52304 1 245 . 1 . 1 71 71 CYS N N 15 115.14 0.2 . 1 . . . . . 71 CYS N . 52304 1 246 . 1 . 1 72 72 GLN H H 1 8.48 0.02 . 1 . . . . . 72 GLN H . 52304 1 247 . 1 . 1 72 72 GLN C C 13 172.91 0.25 . 1 . . . . . 72 GLN C . 52304 1 248 . 1 . 1 72 72 GLN CA C 13 55.80 0.25 . 1 . . . . . 72 GLN CA . 52304 1 249 . 1 . 1 72 72 GLN N N 15 118.40 0.2 . 1 . . . . . 72 GLN N . 52304 1 250 . 1 . 1 73 73 THR H H 1 7.83 0.02 . 1 . . . . . 73 THR H . 52304 1 251 . 1 . 1 73 73 THR CA C 13 60.03 0.25 . 1 . . . . . 73 THR CA . 52304 1 252 . 1 . 1 73 73 THR N N 15 113.75 0.2 . 1 . . . . . 73 THR N . 52304 1 253 . 1 . 1 75 75 LEU C C 13 175.02 0.25 . 1 . . . . . 75 LEU C . 52304 1 254 . 1 . 1 76 76 SER H H 1 7.44 0.02 . 1 . . . . . 76 SER H . 52304 1 255 . 1 . 1 76 76 SER C C 13 173.25 0.25 . 1 . . . . . 76 SER C . 52304 1 256 . 1 . 1 76 76 SER CA C 13 57.62 0.25 . 1 . . . . . 76 SER CA . 52304 1 257 . 1 . 1 76 76 SER N N 15 115.75 0.2 . 1 . . . . . 76 SER N . 52304 1 258 . 1 . 1 77 77 THR H H 1 8.49 0.02 . 1 . . . . . 77 THR H . 52304 1 259 . 1 . 1 77 77 THR C C 13 173.77 0.25 . 1 . . . . . 77 THR C . 52304 1 260 . 1 . 1 77 77 THR CA C 13 61.49 0.25 . 1 . . . . . 77 THR CA . 52304 1 261 . 1 . 1 77 77 THR N N 15 113.60 0.2 . 1 . . . . . 77 THR N . 52304 1 262 . 1 . 1 78 78 LEU H H 1 7.64 0.02 . 1 . . . . . 78 LEU H . 52304 1 263 . 1 . 1 78 78 LEU C C 13 176.99 0.25 . 1 . . . . . 78 LEU C . 52304 1 264 . 1 . 1 78 78 LEU CA C 13 56.50 0.25 . 1 . . . . . 78 LEU CA . 52304 1 265 . 1 . 1 78 78 LEU N N 15 121.44 0.2 . 1 . . . . . 78 LEU N . 52304 1 266 . 1 . 1 79 79 SER H H 1 8.97 0.02 . 1 . . . . . 79 SER H . 52304 1 267 . 1 . 1 79 79 SER C C 13 175.04 0.25 . 1 . . . . . 79 SER C . 52304 1 268 . 1 . 1 79 79 SER CA C 13 59.08 0.25 . 1 . . . . . 79 SER CA . 52304 1 269 . 1 . 1 79 79 SER N N 15 123.30 0.2 . 1 . . . . . 79 SER N . 52304 1 270 . 1 . 1 80 80 ASP H H 1 9.01 0.02 . 1 . . . . . 80 ASP H . 52304 1 271 . 1 . 1 80 80 ASP CA C 13 54.21 0.25 . 1 . . . . . 80 ASP CA . 52304 1 272 . 1 . 1 80 80 ASP N N 15 122.15 0.2 . 1 . . . . . 80 ASP N . 52304 1 273 . 1 . 1 81 81 PRO C C 13 177.33 0.25 . 1 . . . . . 81 PRO C . 52304 1 274 . 1 . 1 82 82 VAL N N 15 114.76 0.2 . 1 . . . . . 82 VAL N . 52304 1 275 . 1 . 1 82 82 VAL H H 1 8.90 0.02 . 1 . . . . . 82 VAL H . 52304 1 276 . 1 . 1 82 82 VAL CA C 13 61.18 0.25 . 1 . . . . . 82 VAL CA . 52304 1 277 . 1 . 1 84 84 LEU H H 1 9.05 0.02 . 1 . . . . . 84 LEU H . 52304 1 278 . 1 . 1 84 84 LEU C C 13 176.16 0.25 . 1 . . . . . 84 LEU C . 52304 1 279 . 1 . 1 84 84 LEU CA C 13 53.59 0.25 . 1 . . . . . 84 LEU CA . 52304 1 280 . 1 . 1 84 84 LEU N N 15 128.20 0.2 . 1 . . . . . 84 LEU N . 52304 1 281 . 1 . 1 85 85 GLU H H 1 9.58 0.02 . 1 . . . . . 85 GLU H . 52304 1 282 . 1 . 1 85 85 GLU C C 13 174.29 0.25 . 1 . . . . . 85 GLU C . 52304 1 283 . 1 . 1 85 85 GLU CA C 13 54.85 0.25 . 1 . . . . . 85 GLU CA . 52304 1 284 . 1 . 1 85 85 GLU N N 15 126.50 0.2 . 1 . . . . . 85 GLU N . 52304 1 285 . 1 . 1 86 86 VAL H H 1 8.33 0.02 . 1 . . . . . 86 VAL H . 52304 1 286 . 1 . 1 86 86 VAL C C 13 175.03 0.25 . 1 . . . . . 86 VAL C . 52304 1 287 . 1 . 1 86 86 VAL CA C 13 61.25 0.25 . 1 . . . . . 86 VAL CA . 52304 1 288 . 1 . 1 86 86 VAL N N 15 125.70 0.2 . 1 . . . . . 86 VAL N . 52304 1 289 . 1 . 1 87 87 HIS H H 1 9.39 0.02 . 1 . . . . . 87 HIS H . 52304 1 290 . 1 . 1 87 87 HIS CA C 13 56.80 0.25 . 1 . . . . . 87 HIS CA . 52304 1 291 . 1 . 1 87 87 HIS N N 15 127.69 0.2 . 1 . . . . . 87 HIS N . 52304 1 292 . 1 . 1 88 88 ILE C C 13 179.90 0.25 . 1 . . . . . 88 ILE C . 52304 1 293 . 1 . 1 89 89 GLY H H 1 7.86 0.02 . 1 . . . . . 89 GLY H . 52304 1 294 . 1 . 1 89 89 GLY C C 13 171.26 0.25 . 1 . . . . . 89 GLY C . 52304 1 295 . 1 . 1 89 89 GLY CA C 13 44.55 0.25 . 1 . . . . . 89 GLY CA . 52304 1 296 . 1 . 1 89 89 GLY N N 15 112.92 0.2 . 1 . . . . . 89 GLY N . 52304 1 297 . 1 . 1 90 90 TRP H H 1 8.00 0.02 . 1 . . . . . 90 TRP H . 52304 1 298 . 1 . 1 90 90 TRP C C 13 175.96 0.25 . 1 . . . . . 90 TRP C . 52304 1 299 . 1 . 1 90 90 TRP CA C 13 59.44 0.25 . 1 . . . . . 90 TRP CA . 52304 1 300 . 1 . 1 90 90 TRP N N 15 115.62 0.2 . 1 . . . . . 90 TRP N . 52304 1 301 . 1 . 1 91 91 LEU H H 1 7.62 0.02 . 1 . . . . . 91 LEU H . 52304 1 302 . 1 . 1 91 91 LEU C C 13 174.89 0.25 . 1 . . . . . 91 LEU C . 52304 1 303 . 1 . 1 91 91 LEU CA C 13 53.26 0.25 . 1 . . . . . 91 LEU CA . 52304 1 304 . 1 . 1 91 91 LEU N N 15 117.21 0.2 . 1 . . . . . 91 LEU N . 52304 1 305 . 1 . 1 92 92 LEU H H 1 9.14 0.02 . 1 . . . . . 92 LEU H . 52304 1 306 . 1 . 1 92 92 LEU C C 13 173.41 0.25 . 1 . . . . . 92 LEU C . 52304 1 307 . 1 . 1 92 92 LEU CA C 13 53.76 0.25 . 1 . . . . . 92 LEU CA . 52304 1 308 . 1 . 1 92 92 LEU N N 15 127.59 0.2 . 1 . . . . . 92 LEU N . 52304 1 309 . 1 . 1 93 93 LEU H H 1 8.85 0.02 . 1 . . . . . 93 LEU H . 52304 1 310 . 1 . 1 93 93 LEU C C 13 175.14 0.25 . 1 . . . . . 93 LEU C . 52304 1 311 . 1 . 1 93 93 LEU CA C 13 53.97 0.25 . 1 . . . . . 93 LEU CA . 52304 1 312 . 1 . 1 93 93 LEU N N 15 130.08 0.2 . 1 . . . . . 93 LEU N . 52304 1 313 . 1 . 1 94 94 GLN H H 1 9.62 0.02 . 1 . . . . . 94 GLN H . 52304 1 314 . 1 . 1 94 94 GLN C C 13 172.77 0.25 . 1 . . . . . 94 GLN C . 52304 1 315 . 1 . 1 94 94 GLN CA C 13 56.21 0.25 . 1 . . . . . 94 GLN CA . 52304 1 316 . 1 . 1 94 94 GLN N N 15 127.25 0.2 . 1 . . . . . 94 GLN N . 52304 1 317 . 1 . 1 95 95 ALA H H 1 6.99 0.02 . 1 . . . . . 95 ALA H . 52304 1 318 . 1 . 1 95 95 ALA CA C 13 49.97 0.25 . 1 . . . . . 95 ALA CA . 52304 1 319 . 1 . 1 95 95 ALA N N 15 119.53 0.2 . 1 . . . . . 95 ALA N . 52304 1 320 . 1 . 1 96 96 PRO C C 13 179.72 0.25 . 1 . . . . . 96 PRO C . 52304 1 321 . 1 . 1 97 97 ARG H H 1 7.76 0.02 . 1 . . . . . 97 ARG H . 52304 1 322 . 1 . 1 97 97 ARG C C 13 172.12 0.25 . 1 . . . . . 97 ARG C . 52304 1 323 . 1 . 1 97 97 ARG CA C 13 54.58 0.25 . 1 . . . . . 97 ARG CA . 52304 1 324 . 1 . 1 97 97 ARG N N 15 111.82 0.2 . 1 . . . . . 97 ARG N . 52304 1 325 . 1 . 1 98 98 TRP H H 1 7.24 0.02 . 1 . . . . . 98 TRP H . 52304 1 326 . 1 . 1 98 98 TRP C C 13 173.77 0.25 . 1 . . . . . 98 TRP C . 52304 1 327 . 1 . 1 98 98 TRP CA C 13 57.35 0.25 . 1 . . . . . 98 TRP CA . 52304 1 328 . 1 . 1 98 98 TRP N N 15 113.13 0.2 . 1 . . . . . 98 TRP N . 52304 1 329 . 1 . 1 99 99 VAL H H 1 6.34 0.02 . 1 . . . . . 99 VAL H . 52304 1 330 . 1 . 1 99 99 VAL C C 13 174.33 0.25 . 1 . . . . . 99 VAL C . 52304 1 331 . 1 . 1 99 99 VAL CA C 13 60.43 0.25 . 1 . . . . . 99 VAL CA . 52304 1 332 . 1 . 1 99 99 VAL N N 15 121.31 0.2 . 1 . . . . . 99 VAL N . 52304 1 333 . 1 . 1 100 100 PHE H H 1 8.76 0.02 . 1 . . . . . 100 PHE H . 52304 1 334 . 1 . 1 100 100 PHE C C 13 173.95 0.25 . 1 . . . . . 100 PHE C . 52304 1 335 . 1 . 1 100 100 PHE CA C 13 56.05 0.25 . 1 . . . . . 100 PHE CA . 52304 1 336 . 1 . 1 100 100 PHE N N 15 125.48 0.2 . 1 . . . . . 100 PHE N . 52304 1 337 . 1 . 1 101 101 LYS H H 1 8.73 0.02 . 1 . . . . . 101 LYS H . 52304 1 338 . 1 . 1 101 101 LYS C C 13 176.82 0.25 . 1 . . . . . 101 LYS C . 52304 1 339 . 1 . 1 101 101 LYS CA C 13 54.70 0.25 . 1 . . . . . 101 LYS CA . 52304 1 340 . 1 . 1 101 101 LYS N N 15 122.52 0.2 . 1 . . . . . 101 LYS N . 52304 1 341 . 1 . 1 102 102 GLU H H 1 8.00 0.02 . 1 . . . . . 102 GLU H . 52304 1 342 . 1 . 1 102 102 GLU C C 13 176.85 0.25 . 1 . . . . . 102 GLU C . 52304 1 343 . 1 . 1 102 102 GLU CA C 13 59.26 0.25 . 1 . . . . . 102 GLU CA . 52304 1 344 . 1 . 1 102 102 GLU N N 15 121.30 0.2 . 1 . . . . . 102 GLU N . 52304 1 345 . 1 . 1 103 103 GLU H H 1 9.24 0.02 . 1 . . . . . 103 GLU H . 52304 1 346 . 1 . 1 103 103 GLU C C 13 175.12 0.25 . 1 . . . . . 103 GLU C . 52304 1 347 . 1 . 1 103 103 GLU CA C 13 60.00 0.25 . 1 . . . . . 103 GLU CA . 52304 1 348 . 1 . 1 103 103 GLU N N 15 116.65 0.2 . 1 . . . . . 103 GLU N . 52304 1 349 . 1 . 1 104 104 ASP H H 1 8.34 0.02 . 1 . . . . . 104 ASP H . 52304 1 350 . 1 . 1 104 104 ASP CA C 13 53.62 0.25 . 1 . . . . . 104 ASP CA . 52304 1 351 . 1 . 1 104 104 ASP N N 15 122.93 0.2 . 1 . . . . . 104 ASP N . 52304 1 352 . 1 . 1 105 105 PRO C C 13 177.93 0.25 . 1 . . . . . 105 PRO C . 52304 1 353 . 1 . 1 106 106 ILE N N 15 121.56 0.2 . 1 . . . . . 106 ILE N . 52304 1 354 . 1 . 1 106 106 ILE H H 1 8.51 0.02 . 1 . . . . . 106 ILE H . 52304 1 355 . 1 . 1 106 106 ILE CA C 13 61.22 0.25 . 1 . . . . . 106 ILE CA . 52304 1 356 . 1 . 1 106 106 ILE C C 13 172.96 0.25 . 1 . . . . . 106 ILE C . 52304 1 357 . 1 . 1 107 107 HIS H H 1 7.52 0.02 . 1 . . . . . 107 HIS H . 52304 1 358 . 1 . 1 107 107 HIS C C 13 172.85 0.25 . 1 . . . . . 107 HIS C . 52304 1 359 . 1 . 1 107 107 HIS CA C 13 53.13 0.25 . 1 . . . . . 107 HIS CA . 52304 1 360 . 1 . 1 107 107 HIS N N 15 130.30 0.2 . 1 . . . . . 107 HIS N . 52304 1 361 . 1 . 1 108 108 LEU H H 1 8.97 0.02 . 1 . . . . . 108 LEU H . 52304 1 362 . 1 . 1 108 108 LEU C C 13 175.69 0.25 . 1 . . . . . 108 LEU C . 52304 1 363 . 1 . 1 108 108 LEU CA C 13 52.80 0.25 . 1 . . . . . 108 LEU CA . 52304 1 364 . 1 . 1 108 108 LEU N N 15 122.29 0.2 . 1 . . . . . 108 LEU N . 52304 1 365 . 1 . 1 109 109 ARG H H 1 8.00 0.02 . 1 . . . . . 109 ARG H . 52304 1 366 . 1 . 1 109 109 ARG C C 13 173.31 0.25 . 1 . . . . . 109 ARG C . 52304 1 367 . 1 . 1 109 109 ARG CA C 13 55.02 0.25 . 1 . . . . . 109 ARG CA . 52304 1 368 . 1 . 1 109 109 ARG N N 15 120.59 0.2 . 1 . . . . . 109 ARG N . 52304 1 369 . 1 . 1 110 110 CYS H H 1 8.62 0.02 . 1 . . . . . 110 CYS H . 52304 1 370 . 1 . 1 110 110 CYS CA C 13 54.93 0.25 . 1 . . . . . 110 CYS CA . 52304 1 371 . 1 . 1 110 110 CYS N N 15 131.19 0.2 . 1 . . . . . 110 CYS N . 52304 1 372 . 1 . 1 111 111 HIS C C 13 172.59 0.25 . 1 . . . . . 111 HIS C . 52304 1 373 . 1 . 1 112 112 SER H H 1 7.86 0.02 . 1 . . . . . 112 SER H . 52304 1 374 . 1 . 1 112 112 SER C C 13 176.96 0.25 . 1 . . . . . 112 SER C . 52304 1 375 . 1 . 1 112 112 SER CA C 13 55.16 0.25 . 1 . . . . . 112 SER CA . 52304 1 376 . 1 . 1 112 112 SER N N 15 120.84 0.2 . 1 . . . . . 112 SER N . 52304 1 377 . 1 . 1 113 113 TRP H H 1 7.97 0.02 . 1 . . . . . 113 TRP H . 52304 1 378 . 1 . 1 113 113 TRP CA C 13 61.10 0.25 . 1 . . . . . 113 TRP CA . 52304 1 379 . 1 . 1 113 113 TRP N N 15 122.18 0.2 . 1 . . . . . 113 TRP N . 52304 1 380 . 1 . 1 115 115 ASN N N 15 114.76 0.2 . 1 . . . . . 115 ASN N . 52304 1 381 . 1 . 1 115 115 ASN H H 1 8.51 0.02 . 1 . . . . . 115 ASN H . 52304 1 382 . 1 . 1 115 115 ASN C C 13 177.05 0.25 . 1 . . . . . 115 ASN C . 52304 1 383 . 1 . 1 116 116 THR H H 1 7.42 0.02 . 1 . . . . . 116 THR H . 52304 1 384 . 1 . 1 116 116 THR CA C 13 53.59 0.25 . 1 . . . . . 116 THR CA . 52304 1 385 . 1 . 1 116 116 THR N N 15 115.26 0.2 . 1 . . . . . 116 THR N . 52304 1 386 . 1 . 1 117 117 ALA C C 13 175.42 0.25 . 1 . . . . . 117 ALA C . 52304 1 387 . 1 . 1 118 118 LEU H H 1 7.68 0.02 . 1 . . . . . 118 LEU H . 52304 1 388 . 1 . 1 118 118 LEU C C 13 175.09 0.25 . 1 . . . . . 118 LEU C . 52304 1 389 . 1 . 1 118 118 LEU CA C 13 53.69 0.25 . 1 . . . . . 118 LEU CA . 52304 1 390 . 1 . 1 118 118 LEU N N 15 125.32 0.2 . 1 . . . . . 118 LEU N . 52304 1 391 . 1 . 1 119 119 HIS H H 1 8.72 0.02 . 1 . . . . . 119 HIS H . 52304 1 392 . 1 . 1 119 119 HIS C C 13 172.65 0.25 . 1 . . . . . 119 HIS C . 52304 1 393 . 1 . 1 119 119 HIS CA C 13 54.70 0.25 . 1 . . . . . 119 HIS CA . 52304 1 394 . 1 . 1 119 119 HIS N N 15 123.87 0.2 . 1 . . . . . 119 HIS N . 52304 1 395 . 1 . 1 120 120 LYS H H 1 8.54 0.02 . 1 . . . . . 120 LYS H . 52304 1 396 . 1 . 1 120 120 LYS C C 13 173.26 0.25 . 1 . . . . . 120 LYS C . 52304 1 397 . 1 . 1 120 120 LYS CA C 13 57.83 0.25 . 1 . . . . . 120 LYS CA . 52304 1 398 . 1 . 1 120 120 LYS N N 15 118.41 0.2 . 1 . . . . . 120 LYS N . 52304 1 399 . 1 . 1 121 121 VAL H H 1 7.78 0.02 . 1 . . . . . 121 VAL H . 52304 1 400 . 1 . 1 121 121 VAL C C 13 175.34 0.25 . 1 . . . . . 121 VAL C . 52304 1 401 . 1 . 1 121 121 VAL CA C 13 61.58 0.25 . 1 . . . . . 121 VAL CA . 52304 1 402 . 1 . 1 121 121 VAL N N 15 121.37 0.2 . 1 . . . . . 121 VAL N . 52304 1 403 . 1 . 1 122 122 THR H H 1 8.90 0.02 . 1 . . . . . 122 THR H . 52304 1 404 . 1 . 1 122 122 THR C C 13 174.01 0.25 . 1 . . . . . 122 THR C . 52304 1 405 . 1 . 1 122 122 THR CA C 13 61.37 0.25 . 1 . . . . . 122 THR CA . 52304 1 406 . 1 . 1 122 122 THR N N 15 121.38 0.2 . 1 . . . . . 122 THR N . 52304 1 407 . 1 . 1 123 123 TYR H H 1 8.84 0.02 . 1 . . . . . 123 TYR H . 52304 1 408 . 1 . 1 123 123 TYR C C 13 174.66 0.25 . 1 . . . . . 123 TYR C . 52304 1 409 . 1 . 1 123 123 TYR CA C 13 57.85 0.25 . 1 . . . . . 123 TYR CA . 52304 1 410 . 1 . 1 123 123 TYR N N 15 124.09 0.2 . 1 . . . . . 123 TYR N . 52304 1 411 . 1 . 1 124 124 LEU H H 1 8.87 0.02 . 1 . . . . . 124 LEU H . 52304 1 412 . 1 . 1 124 124 LEU C C 13 173.35 0.25 . 1 . . . . . 124 LEU C . 52304 1 413 . 1 . 1 124 124 LEU CA C 13 56.87 0.25 . 1 . . . . . 124 LEU CA . 52304 1 414 . 1 . 1 124 124 LEU N N 15 125.18 0.2 . 1 . . . . . 124 LEU N . 52304 1 415 . 1 . 1 125 125 GLN H H 1 8.27 0.02 . 1 . . . . . 125 GLN H . 52304 1 416 . 1 . 1 125 125 GLN C C 13 176.00 0.25 . 1 . . . . . 125 GLN C . 52304 1 417 . 1 . 1 125 125 GLN CA C 13 53.06 0.25 . 1 . . . . . 125 GLN CA . 52304 1 418 . 1 . 1 125 125 GLN N N 15 118.45 0.2 . 1 . . . . . 125 GLN N . 52304 1 419 . 1 . 1 126 126 ASN H H 1 9.95 0.02 . 1 . . . . . 126 ASN H . 52304 1 420 . 1 . 1 126 126 ASN C C 13 175.84 0.25 . 1 . . . . . 126 ASN C . 52304 1 421 . 1 . 1 126 126 ASN CA C 13 54.10 0.25 . 1 . . . . . 126 ASN CA . 52304 1 422 . 1 . 1 126 126 ASN N N 15 129.50 0.2 . 1 . . . . . 126 ASN N . 52304 1 423 . 1 . 1 127 127 GLY H H 1 9.24 0.02 . 1 . . . . . 127 GLY H . 52304 1 424 . 1 . 1 127 127 GLY C C 13 173.97 0.25 . 1 . . . . . 127 GLY C . 52304 1 425 . 1 . 1 127 127 GLY CA C 13 45.73 0.25 . 1 . . . . . 127 GLY CA . 52304 1 426 . 1 . 1 127 127 GLY N N 15 103.10 0.2 . 1 . . . . . 127 GLY N . 52304 1 427 . 1 . 1 128 128 LYS H H 1 7.79 0.02 . 1 . . . . . 128 LYS H . 52304 1 428 . 1 . 1 128 128 LYS C C 13 173.73 0.25 . 1 . . . . . 128 LYS C . 52304 1 429 . 1 . 1 128 128 LYS CA C 13 54.35 0.25 . 1 . . . . . 128 LYS CA . 52304 1 430 . 1 . 1 128 128 LYS N N 15 121.47 0.2 . 1 . . . . . 128 LYS N . 52304 1 431 . 1 . 1 129 129 GLY H H 1 9.67 0.02 . 1 . . . . . 129 GLY H . 52304 1 432 . 1 . 1 129 129 GLY C C 13 173.36 0.25 . 1 . . . . . 129 GLY C . 52304 1 433 . 1 . 1 129 129 GLY CA C 13 44.42 0.25 . 1 . . . . . 129 GLY CA . 52304 1 434 . 1 . 1 129 129 GLY N N 15 112.18 0.2 . 1 . . . . . 129 GLY N . 52304 1 435 . 1 . 1 130 130 ARG H H 1 9.27 0.02 . 1 . . . . . 130 ARG H . 52304 1 436 . 1 . 1 130 130 ARG C C 13 175.64 0.25 . 1 . . . . . 130 ARG C . 52304 1 437 . 1 . 1 130 130 ARG CA C 13 55.91 0.25 . 1 . . . . . 130 ARG CA . 52304 1 438 . 1 . 1 130 130 ARG N N 15 126.65 0.2 . 1 . . . . . 130 ARG N . 52304 1 439 . 1 . 1 131 131 LYS H H 1 7.40 0.02 . 1 . . . . . 131 LYS H . 52304 1 440 . 1 . 1 131 131 LYS C C 13 172.55 0.25 . 1 . . . . . 131 LYS C . 52304 1 441 . 1 . 1 131 131 LYS CA C 13 55.03 0.25 . 1 . . . . . 131 LYS CA . 52304 1 442 . 1 . 1 131 131 LYS N N 15 118.29 0.2 . 1 . . . . . 131 LYS N . 52304 1 443 . 1 . 1 132 132 TYR H H 1 8.00 0.02 . 1 . . . . . 132 TYR H . 52304 1 444 . 1 . 1 132 132 TYR C C 13 173.57 0.25 . 1 . . . . . 132 TYR C . 52304 1 445 . 1 . 1 132 132 TYR CA C 13 56.15 0.25 . 1 . . . . . 132 TYR CA . 52304 1 446 . 1 . 1 132 132 TYR N N 15 127.02 0.2 . 1 . . . . . 132 TYR N . 52304 1 447 . 1 . 1 133 133 PHE H H 1 8.83 0.02 . 1 . . . . . 133 PHE H . 52304 1 448 . 1 . 1 133 133 PHE CA C 13 56.06 0.25 . 1 . . . . . 133 PHE CA . 52304 1 449 . 1 . 1 133 133 PHE N N 15 125.88 0.2 . 1 . . . . . 133 PHE N . 52304 1 450 . 1 . 1 134 134 HIS C C 13 177.36 0.25 . 1 . . . . . 134 HIS C . 52304 1 451 . 1 . 1 135 135 HIS H H 1 8.18 0.02 . 1 . . . . . 135 HIS H . 52304 1 452 . 1 . 1 135 135 HIS C C 13 173.77 0.25 . 1 . . . . . 135 HIS C . 52304 1 453 . 1 . 1 135 135 HIS CA C 13 54.57 0.25 . 1 . . . . . 135 HIS CA . 52304 1 454 . 1 . 1 135 135 HIS N N 15 118.17 0.2 . 1 . . . . . 135 HIS N . 52304 1 455 . 1 . 1 136 136 ASN H H 1 7.96 0.02 . 1 . . . . . 136 ASN H . 52304 1 456 . 1 . 1 136 136 ASN C C 13 175.00 0.25 . 1 . . . . . 136 ASN C . 52304 1 457 . 1 . 1 136 136 ASN CA C 13 54.65 0.25 . 1 . . . . . 136 ASN CA . 52304 1 458 . 1 . 1 136 136 ASN N N 15 116.89 0.2 . 1 . . . . . 136 ASN N . 52304 1 459 . 1 . 1 137 137 SER H H 1 7.24 0.02 . 1 . . . . . 137 SER H . 52304 1 460 . 1 . 1 137 137 SER C C 13 172.74 0.25 . 1 . . . . . 137 SER C . 52304 1 461 . 1 . 1 137 137 SER CA C 13 56.82 0.25 . 1 . . . . . 137 SER CA . 52304 1 462 . 1 . 1 137 137 SER N N 15 119.40 0.2 . 1 . . . . . 137 SER N . 52304 1 463 . 1 . 1 138 138 ASP H H 1 8.56 0.02 . 1 . . . . . 138 ASP H . 52304 1 464 . 1 . 1 138 138 ASP C C 13 172.48 0.25 . 1 . . . . . 138 ASP C . 52304 1 465 . 1 . 1 138 138 ASP CA C 13 55.16 0.25 . 1 . . . . . 138 ASP CA . 52304 1 466 . 1 . 1 138 138 ASP N N 15 127.13 0.2 . 1 . . . . . 138 ASP N . 52304 1 467 . 1 . 1 139 139 PHE H H 1 8.46 0.02 . 1 . . . . . 139 PHE H . 52304 1 468 . 1 . 1 139 139 PHE C C 13 171.90 0.25 . 1 . . . . . 139 PHE C . 52304 1 469 . 1 . 1 139 139 PHE CA C 13 54.71 0.25 . 1 . . . . . 139 PHE CA . 52304 1 470 . 1 . 1 139 139 PHE N N 15 123.03 0.2 . 1 . . . . . 139 PHE N . 52304 1 471 . 1 . 1 140 140 TYR H H 1 8.28 0.02 . 1 . . . . . 140 TYR H . 52304 1 472 . 1 . 1 140 140 TYR CA C 13 56.04 0.25 . 1 . . . . . 140 TYR CA . 52304 1 473 . 1 . 1 140 140 TYR N N 15 128.63 0.2 . 1 . . . . . 140 TYR N . 52304 1 474 . 1 . 1 142 142 PRO C C 13 175.93 0.25 . 1 . . . . . 142 PRO C . 52304 1 475 . 1 . 1 143 143 LYS H H 1 6.92 0.02 . 1 . . . . . 143 LYS H . 52304 1 476 . 1 . 1 143 143 LYS C C 13 174.76 0.25 . 1 . . . . . 143 LYS C . 52304 1 477 . 1 . 1 143 143 LYS CA C 13 54.50 0.25 . 1 . . . . . 143 LYS CA . 52304 1 478 . 1 . 1 143 143 LYS N N 15 114.27 0.2 . 1 . . . . . 143 LYS N . 52304 1 479 . 1 . 1 144 144 ALA H H 1 8.75 0.02 . 1 . . . . . 144 ALA H . 52304 1 480 . 1 . 1 144 144 ALA C C 13 178.70 0.25 . 1 . . . . . 144 ALA C . 52304 1 481 . 1 . 1 144 144 ALA CA C 13 53.08 0.25 . 1 . . . . . 144 ALA CA . 52304 1 482 . 1 . 1 144 144 ALA N N 15 128.21 0.2 . 1 . . . . . 144 ALA N . 52304 1 483 . 1 . 1 145 145 THR H H 1 9.63 0.02 . 1 . . . . . 145 THR H . 52304 1 484 . 1 . 1 145 145 THR C C 13 175.99 0.25 . 1 . . . . . 145 THR C . 52304 1 485 . 1 . 1 145 145 THR CA C 13 59.66 0.25 . 1 . . . . . 145 THR CA . 52304 1 486 . 1 . 1 145 145 THR N N 15 115.27 0.2 . 1 . . . . . 145 THR N . 52304 1 487 . 1 . 1 146 146 LEU H H 1 9.02 0.02 . 1 . . . . . 146 LEU H . 52304 1 488 . 1 . 1 146 146 LEU CA C 13 58.61 0.25 . 1 . . . . . 146 LEU CA . 52304 1 489 . 1 . 1 146 146 LEU N N 15 121.78 0.2 . 1 . . . . . 146 LEU N . 52304 1 490 . 1 . 1 147 147 LYS C C 13 176.85 0.25 . 1 . . . . . 147 LYS C . 52304 1 491 . 1 . 1 148 148 ASP H H 1 8.12 0.02 . 1 . . . . . 148 ASP H . 52304 1 492 . 1 . 1 148 148 ASP C C 13 176.50 0.25 . 1 . . . . . 148 ASP C . 52304 1 493 . 1 . 1 148 148 ASP CA C 13 56.57 0.25 . 1 . . . . . 148 ASP CA . 52304 1 494 . 1 . 1 148 148 ASP N N 15 117.94 0.2 . 1 . . . . . 148 ASP N . 52304 1 495 . 1 . 1 149 149 SER H H 1 7.53 0.02 . 1 . . . . . 149 SER H . 52304 1 496 . 1 . 1 149 149 SER C C 13 174.59 0.25 . 1 . . . . . 149 SER C . 52304 1 497 . 1 . 1 149 149 SER CA C 13 59.72 0.25 . 1 . . . . . 149 SER CA . 52304 1 498 . 1 . 1 149 149 SER N N 15 117.58 0.2 . 1 . . . . . 149 SER N . 52304 1 499 . 1 . 1 150 150 GLY H H 1 9.42 0.02 . 1 . . . . . 150 GLY H . 52304 1 500 . 1 . 1 150 150 GLY C C 13 171.33 0.25 . 1 . . . . . 150 GLY C . 52304 1 501 . 1 . 1 150 150 GLY CA C 13 45.60 0.25 . 1 . . . . . 150 GLY CA . 52304 1 502 . 1 . 1 150 150 GLY N N 15 111.38 0.2 . 1 . . . . . 150 GLY N . 52304 1 503 . 1 . 1 151 151 SER H H 1 8.22 0.02 . 1 . . . . . 151 SER H . 52304 1 504 . 1 . 1 151 151 SER C C 13 175.47 0.25 . 1 . . . . . 151 SER C . 52304 1 505 . 1 . 1 151 151 SER CA C 13 56.70 0.25 . 1 . . . . . 151 SER CA . 52304 1 506 . 1 . 1 151 151 SER N N 15 115.63 0.2 . 1 . . . . . 151 SER N . 52304 1 507 . 1 . 1 152 152 TYR H H 1 9.80 0.02 . 1 . . . . . 152 TYR H . 52304 1 508 . 1 . 1 152 152 TYR C C 13 175.71 0.25 . 1 . . . . . 152 TYR C . 52304 1 509 . 1 . 1 152 152 TYR CA C 13 56.70 0.25 . 1 . . . . . 152 TYR CA . 52304 1 510 . 1 . 1 152 152 TYR N N 15 129.82 0.2 . 1 . . . . . 152 TYR N . 52304 1 511 . 1 . 1 153 153 PHE H H 1 8.58 0.02 . 1 . . . . . 153 PHE H . 52304 1 512 . 1 . 1 153 153 PHE C C 13 171.99 0.25 . 1 . . . . . 153 PHE C . 52304 1 513 . 1 . 1 153 153 PHE CA C 13 56.70 0.25 . 1 . . . . . 153 PHE CA . 52304 1 514 . 1 . 1 153 153 PHE N N 15 113.92 0.2 . 1 . . . . . 153 PHE N . 52304 1 515 . 1 . 1 154 154 CYS H H 1 8.71 0.02 . 1 . . . . . 154 CYS H . 52304 1 516 . 1 . 1 154 154 CYS C C 13 170.56 0.25 . 1 . . . . . 154 CYS C . 52304 1 517 . 1 . 1 154 154 CYS CA C 13 53.81 0.25 . 1 . . . . . 154 CYS CA . 52304 1 518 . 1 . 1 154 154 CYS N N 15 114.83 0.2 . 1 . . . . . 154 CYS N . 52304 1 519 . 1 . 1 155 155 ARG H H 1 8.49 0.02 . 1 . . . . . 155 ARG H . 52304 1 520 . 1 . 1 155 155 ARG C C 13 173.56 0.25 . 1 . . . . . 155 ARG C . 52304 1 521 . 1 . 1 155 155 ARG CA C 13 54.12 0.25 . 1 . . . . . 155 ARG CA . 52304 1 522 . 1 . 1 155 155 ARG N N 15 119.31 0.2 . 1 . . . . . 155 ARG N . 52304 1 523 . 1 . 1 156 156 GLY H H 1 8.50 0.02 . 1 . . . . . 156 GLY H . 52304 1 524 . 1 . 1 156 156 GLY CA C 13 46.21 0.25 . 1 . . . . . 156 GLY CA . 52304 1 525 . 1 . 1 156 156 GLY N N 15 107.59 0.2 . 1 . . . . . 156 GLY N . 52304 1 526 . 1 . 1 157 157 LEU N N 15 120.28 0.2 . 1 . . . . . 157 LEU N . 52304 1 527 . 1 . 1 157 157 LEU H H 1 8.59 0.02 . 1 . . . . . 157 LEU H . 52304 1 528 . 1 . 1 157 157 LEU CA C 13 53.69 0.25 . 1 . . . . . 157 LEU CA . 52304 1 529 . 1 . 1 158 158 VAL H H 1 8.79 0.02 . 1 . . . . . 158 VAL H . 52304 1 530 . 1 . 1 158 158 VAL CA C 13 60.72 0.25 . 1 . . . . . 158 VAL CA . 52304 1 531 . 1 . 1 158 158 VAL N N 15 126.07 0.2 . 1 . . . . . 158 VAL N . 52304 1 532 . 1 . 1 158 158 VAL C C 13 177.33 0.25 . 1 . . . . . 158 VAL C . 52304 1 533 . 1 . 1 159 159 GLY H H 1 8.98 0.02 . 1 . . . . . 159 GLY H . 52304 1 534 . 1 . 1 159 159 GLY CA C 13 47.44 0.25 . 1 . . . . . 159 GLY CA . 52304 1 535 . 1 . 1 159 159 GLY N N 15 118.95 0.2 . 1 . . . . . 159 GLY N . 52304 1 536 . 1 . 1 160 160 SER C C 13 173.42 0.25 . 1 . . . . . 160 SER C . 52304 1 537 . 1 . 1 161 161 LYS H H 1 7.87 0.02 . 1 . . . . . 161 LYS H . 52304 1 538 . 1 . 1 161 161 LYS C C 13 174.35 0.25 . 1 . . . . . 161 LYS C . 52304 1 539 . 1 . 1 161 161 LYS CA C 13 55.36 0.25 . 1 . . . . . 161 LYS CA . 52304 1 540 . 1 . 1 161 161 LYS N N 15 123.30 0.2 . 1 . . . . . 161 LYS N . 52304 1 541 . 1 . 1 162 162 ASN H H 1 8.51 0.02 . 1 . . . . . 162 ASN H . 52304 1 542 . 1 . 1 162 162 ASN C C 13 175.06 0.25 . 1 . . . . . 162 ASN C . 52304 1 543 . 1 . 1 162 162 ASN CA C 13 52.85 0.25 . 1 . . . . . 162 ASN CA . 52304 1 544 . 1 . 1 162 162 ASN N N 15 124.31 0.2 . 1 . . . . . 162 ASN N . 52304 1 545 . 1 . 1 163 163 VAL H H 1 8.89 0.02 . 1 . . . . . 163 VAL H . 52304 1 546 . 1 . 1 163 163 VAL C C 13 173.57 0.25 . 1 . . . . . 163 VAL C . 52304 1 547 . 1 . 1 163 163 VAL CA C 13 60.56 0.25 . 1 . . . . . 163 VAL CA . 52304 1 548 . 1 . 1 163 163 VAL N N 15 123.78 0.2 . 1 . . . . . 163 VAL N . 52304 1 549 . 1 . 1 164 164 SER H H 1 8.32 0.02 . 1 . . . . . 164 SER H . 52304 1 550 . 1 . 1 164 164 SER C C 13 174.23 0.25 . 1 . . . . . 164 SER C . 52304 1 551 . 1 . 1 164 164 SER CA C 13 57.12 0.25 . 1 . . . . . 164 SER CA . 52304 1 552 . 1 . 1 164 164 SER N N 15 116.34 0.2 . 1 . . . . . 164 SER N . 52304 1 553 . 1 . 1 165 165 SER H H 1 9.73 0.02 . 1 . . . . . 165 SER H . 52304 1 554 . 1 . 1 165 165 SER C C 13 173.35 0.25 . 1 . . . . . 165 SER C . 52304 1 555 . 1 . 1 165 165 SER CA C 13 58.30 0.25 . 1 . . . . . 165 SER CA . 52304 1 556 . 1 . 1 165 165 SER N N 15 121.94 0.2 . 1 . . . . . 165 SER N . 52304 1 557 . 1 . 1 166 166 GLU H H 1 8.77 0.02 . 1 . . . . . 166 GLU H . 52304 1 558 . 1 . 1 166 166 GLU C C 13 179.18 0.25 . 1 . . . . . 166 GLU C . 52304 1 559 . 1 . 1 166 166 GLU CA C 13 56.47 0.25 . 1 . . . . . 166 GLU CA . 52304 1 560 . 1 . 1 166 166 GLU N N 15 118.50 0.2 . 1 . . . . . 166 GLU N . 52304 1 561 . 1 . 1 167 167 THR H H 1 8.73 0.02 . 1 . . . . . 167 THR H . 52304 1 562 . 1 . 1 167 167 THR C C 13 174.84 0.25 . 1 . . . . . 167 THR C . 52304 1 563 . 1 . 1 167 167 THR CA C 13 61.64 0.25 . 1 . . . . . 167 THR CA . 52304 1 564 . 1 . 1 167 167 THR N N 15 117.77 0.2 . 1 . . . . . 167 THR N . 52304 1 565 . 1 . 1 168 168 VAL H H 1 9.38 0.02 . 1 . . . . . 168 VAL H . 52304 1 566 . 1 . 1 168 168 VAL C C 13 173.71 0.25 . 1 . . . . . 168 VAL C . 52304 1 567 . 1 . 1 168 168 VAL CA C 13 60.56 0.25 . 1 . . . . . 168 VAL CA . 52304 1 568 . 1 . 1 168 168 VAL N N 15 122.25 0.2 . 1 . . . . . 168 VAL N . 52304 1 569 . 1 . 1 169 169 GLN H H 1 8.37 0.02 . 1 . . . . . 169 GLN H . 52304 1 570 . 1 . 1 169 169 GLN C C 13 175.22 0.25 . 1 . . . . . 169 GLN C . 52304 1 571 . 1 . 1 169 169 GLN CA C 13 55.30 0.25 . 1 . . . . . 169 GLN CA . 52304 1 572 . 1 . 1 169 169 GLN N N 15 128.02 0.2 . 1 . . . . . 169 GLN N . 52304 1 573 . 1 . 1 170 170 ILE H H 1 9.40 0.02 . 1 . . . . . 170 ILE H . 52304 1 574 . 1 . 1 170 170 ILE C C 13 176.41 0.25 . 1 . . . . . 170 ILE C . 52304 1 575 . 1 . 1 170 170 ILE CA C 13 59.78 0.25 . 1 . . . . . 170 ILE CA . 52304 1 576 . 1 . 1 170 170 ILE N N 15 128.69 0.2 . 1 . . . . . 170 ILE N . 52304 1 577 . 1 . 1 171 171 THR H H 1 9.12 0.02 . 1 . . . . . 171 THR H . 52304 1 578 . 1 . 1 171 171 THR C C 13 171.71 0.25 . 1 . . . . . 171 THR C . 52304 1 579 . 1 . 1 171 171 THR CA C 13 62.48 0.25 . 1 . . . . . 171 THR CA . 52304 1 580 . 1 . 1 171 171 THR N N 15 125.85 0.2 . 1 . . . . . 171 THR N . 52304 1 581 . 1 . 1 172 172 ILE H H 1 8.20 0.02 . 1 . . . . . 172 ILE H . 52304 1 582 . 1 . 1 172 172 ILE C C 13 175.67 0.25 . 1 . . . . . 172 ILE C . 52304 1 583 . 1 . 1 172 172 ILE CA C 13 57.80 0.25 . 1 . . . . . 172 ILE CA . 52304 1 584 . 1 . 1 172 172 ILE N N 15 128.09 0.2 . 1 . . . . . 172 ILE N . 52304 1 585 . 1 . 1 173 173 THR H H 1 9.01 0.02 . 1 . . . . . 173 THR H . 52304 1 586 . 1 . 1 173 173 THR CA C 13 60.06 0.25 . 1 . . . . . 173 THR CA . 52304 1 587 . 1 . 1 173 173 THR N N 15 119.76 0.2 . 1 . . . . . 173 THR N . 52304 1 588 . 1 . 1 174 174 GLN C C 13 175.93 0.25 . 1 . . . . . 174 GLN C . 52304 1 589 . 1 . 1 175 175 GLY H H 1 8.52 0.02 . 1 . . . . . 175 GLY H . 52304 1 590 . 1 . 1 175 175 GLY CA C 13 46.24 0.25 . 1 . . . . . 175 GLY CA . 52304 1 591 . 1 . 1 175 175 GLY N N 15 117.90 0.2 . 1 . . . . . 175 GLY N . 52304 1 stop_ save_