data_50141 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50141 _Entry.Title ; Backbone chemical shift assignments of the APO Fowlpox virus resolvase (APO Fpr) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-24 _Entry.Accession_date 2019-12-24 _Entry.Last_release_date 2020-01-02 _Entry.Original_release_date 2020-01-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 'Backbone chemical shift assignments of the APO Fowlpox virus resolvase (APO Fpr)' _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 Timsi Rao . . . . 50141 2 Hideki Aihara . . . . 50141 3 Na Li . . . . 50141 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Minnesota, Twin Cities, USA' . 50141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 50141 '15N chemical shifts' 132 50141 '1H chemical shifts' 132 50141 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-10 2019-12-24 update BMRB 'update entry citation' 50141 1 . . 2020-02-05 2019-12-24 original author 'original release' 50141 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6P7A 'Crystal Structure of Apo-Fpr' 50141 PDB 6P7B 'Crystal Structure of Fpr-HJ complex' 50141 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50141 _Citation.ID 1 _Citation.Name 'Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31941902 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 393 _Citation.Page_last 393 _Citation.Year 2020 _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 Na Li . . . . 50141 1 2 Ke Shi . . . . 50141 1 3 Timsi Rao . . . . 50141 1 4 Surajit Banerjee . . . . 50141 1 5 Hideki Aihara . . . . 50141 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 50141 1 'Fowlpox virus resolvase,' 50141 1 'Holliday Junction,' 50141 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50141 _Assembly.ID 1 _Assembly.Name 'Fowlpox virus resolvase monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17478.07 _Assembly.Enzyme_commission_number 3.1.22.4 _Assembly.Details 'Single entity Fowlpox virus resolvase monomer' _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 Polypeptide 1 $entity_1 . . yes native no no . . . 50141 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6P7A . . X-ray 3.1 'This crystal structure is part of the same study as the current NMR entry' . 50141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50141 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fowlpox virus resolvase protein, D135N, C-terminal 6 residues deleted' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIICSVDIGIKNPAYAIFNY DNTSNTIKLIAIEKSDWTKN WERSVARDLTRYNPDVVILE KQGFKSPNSKIIYFIKGFFY NSNTKVIVRNPTFKGGSYRN RKKQSIDVFIQKISEYTDYK NDILNKYTKLDDIANSFNLG LSYMESLLKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'D135N and C-terminal 6 residue deletion' _Entity.EC_number 3.1.22.4 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17478.07 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; D135N mutation renders the enzyme to be inactive for nuclease activity and therefore was used for studying binding with cognate DNA. Removing last 6 residues of the full length Fpr protein made it less prone to aggregation and hence the 6-residue deleted construct was used for structure elucidation. ; _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 UNP Q9J546.1 . RUVV_FOWPN . . . . . . . . . . . . . . 50141 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Fowlpox virus resolvase (Fpr) is an endonuclease that cleaves a broad range of branched DNA structures, including the Holliday junction (HJ), with little sequence-specificity ; 50141 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50141 1 2 . ILE . 50141 1 3 . ILE . 50141 1 4 . CYS . 50141 1 5 . SER . 50141 1 6 . VAL . 50141 1 7 . ASP . 50141 1 8 . ILE . 50141 1 9 . GLY . 50141 1 10 . ILE . 50141 1 11 . LYS . 50141 1 12 . ASN . 50141 1 13 . PRO . 50141 1 14 . ALA . 50141 1 15 . TYR . 50141 1 16 . ALA . 50141 1 17 . ILE . 50141 1 18 . PHE . 50141 1 19 . ASN . 50141 1 20 . TYR . 50141 1 21 . ASP . 50141 1 22 . ASN . 50141 1 23 . THR . 50141 1 24 . SER . 50141 1 25 . ASN . 50141 1 26 . THR . 50141 1 27 . ILE . 50141 1 28 . LYS . 50141 1 29 . LEU . 50141 1 30 . ILE . 50141 1 31 . ALA . 50141 1 32 . ILE . 50141 1 33 . GLU . 50141 1 34 . LYS . 50141 1 35 . SER . 50141 1 36 . ASP . 50141 1 37 . TRP . 50141 1 38 . THR . 50141 1 39 . LYS . 50141 1 40 . ASN . 50141 1 41 . TRP . 50141 1 42 . GLU . 50141 1 43 . ARG . 50141 1 44 . SER . 50141 1 45 . VAL . 50141 1 46 . ALA . 50141 1 47 . ARG . 50141 1 48 . ASP . 50141 1 49 . LEU . 50141 1 50 . THR . 50141 1 51 . ARG . 50141 1 52 . TYR . 50141 1 53 . ASN . 50141 1 54 . PRO . 50141 1 55 . ASP . 50141 1 56 . VAL . 50141 1 57 . VAL . 50141 1 58 . ILE . 50141 1 59 . LEU . 50141 1 60 . GLU . 50141 1 61 . LYS . 50141 1 62 . GLN . 50141 1 63 . GLY . 50141 1 64 . PHE . 50141 1 65 . LYS . 50141 1 66 . SER . 50141 1 67 . PRO . 50141 1 68 . ASN . 50141 1 69 . SER . 50141 1 70 . LYS . 50141 1 71 . ILE . 50141 1 72 . ILE . 50141 1 73 . TYR . 50141 1 74 . PHE . 50141 1 75 . ILE . 50141 1 76 . LYS . 50141 1 77 . GLY . 50141 1 78 . PHE . 50141 1 79 . PHE . 50141 1 80 . TYR . 50141 1 81 . ASN . 50141 1 82 . SER . 50141 1 83 . ASN . 50141 1 84 . THR . 50141 1 85 . LYS . 50141 1 86 . VAL . 50141 1 87 . ILE . 50141 1 88 . VAL . 50141 1 89 . ARG . 50141 1 90 . ASN . 50141 1 91 . PRO . 50141 1 92 . THR . 50141 1 93 . PHE . 50141 1 94 . LYS . 50141 1 95 . GLY . 50141 1 96 . GLY . 50141 1 97 . SER . 50141 1 98 . TYR . 50141 1 99 . ARG . 50141 1 100 . ASN . 50141 1 101 . ARG . 50141 1 102 . LYS . 50141 1 103 . LYS . 50141 1 104 . GLN . 50141 1 105 . SER . 50141 1 106 . ILE . 50141 1 107 . ASP . 50141 1 108 . VAL . 50141 1 109 . PHE . 50141 1 110 . ILE . 50141 1 111 . GLN . 50141 1 112 . LYS . 50141 1 113 . ILE . 50141 1 114 . SER . 50141 1 115 . GLU . 50141 1 116 . TYR . 50141 1 117 . THR . 50141 1 118 . ASP . 50141 1 119 . TYR . 50141 1 120 . LYS . 50141 1 121 . ASN . 50141 1 122 . ASP . 50141 1 123 . ILE . 50141 1 124 . LEU . 50141 1 125 . ASN . 50141 1 126 . LYS . 50141 1 127 . TYR . 50141 1 128 . THR . 50141 1 129 . LYS . 50141 1 130 . LEU . 50141 1 131 . ASP . 50141 1 132 . ASP . 50141 1 133 . ILE . 50141 1 134 . ALA . 50141 1 135 . ASN . 50141 1 136 . SER . 50141 1 137 . PHE . 50141 1 138 . ASN . 50141 1 139 . LEU . 50141 1 140 . GLY . 50141 1 141 . LEU . 50141 1 142 . SER . 50141 1 143 . TYR . 50141 1 144 . MET . 50141 1 145 . GLU . 50141 1 146 . SER . 50141 1 147 . LEU . 50141 1 148 . LEU . 50141 1 149 . LYS . 50141 1 150 . LYS . 50141 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 50141 1 . ILE 2 2 50141 1 . ILE 3 3 50141 1 . CYS 4 4 50141 1 . SER 5 5 50141 1 . VAL 6 6 50141 1 . ASP 7 7 50141 1 . ILE 8 8 50141 1 . GLY 9 9 50141 1 . ILE 10 10 50141 1 . LYS 11 11 50141 1 . ASN 12 12 50141 1 . PRO 13 13 50141 1 . ALA 14 14 50141 1 . TYR 15 15 50141 1 . ALA 16 16 50141 1 . ILE 17 17 50141 1 . PHE 18 18 50141 1 . ASN 19 19 50141 1 . TYR 20 20 50141 1 . ASP 21 21 50141 1 . ASN 22 22 50141 1 . THR 23 23 50141 1 . SER 24 24 50141 1 . ASN 25 25 50141 1 . THR 26 26 50141 1 . ILE 27 27 50141 1 . LYS 28 28 50141 1 . LEU 29 29 50141 1 . ILE 30 30 50141 1 . ALA 31 31 50141 1 . ILE 32 32 50141 1 . GLU 33 33 50141 1 . LYS 34 34 50141 1 . SER 35 35 50141 1 . ASP 36 36 50141 1 . TRP 37 37 50141 1 . THR 38 38 50141 1 . LYS 39 39 50141 1 . ASN 40 40 50141 1 . TRP 41 41 50141 1 . GLU 42 42 50141 1 . ARG 43 43 50141 1 . SER 44 44 50141 1 . VAL 45 45 50141 1 . ALA 46 46 50141 1 . ARG 47 47 50141 1 . ASP 48 48 50141 1 . LEU 49 49 50141 1 . THR 50 50 50141 1 . ARG 51 51 50141 1 . TYR 52 52 50141 1 . ASN 53 53 50141 1 . PRO 54 54 50141 1 . ASP 55 55 50141 1 . VAL 56 56 50141 1 . VAL 57 57 50141 1 . ILE 58 58 50141 1 . LEU 59 59 50141 1 . GLU 60 60 50141 1 . LYS 61 61 50141 1 . GLN 62 62 50141 1 . GLY 63 63 50141 1 . PHE 64 64 50141 1 . LYS 65 65 50141 1 . SER 66 66 50141 1 . PRO 67 67 50141 1 . ASN 68 68 50141 1 . SER 69 69 50141 1 . LYS 70 70 50141 1 . ILE 71 71 50141 1 . ILE 72 72 50141 1 . TYR 73 73 50141 1 . PHE 74 74 50141 1 . ILE 75 75 50141 1 . LYS 76 76 50141 1 . GLY 77 77 50141 1 . PHE 78 78 50141 1 . PHE 79 79 50141 1 . TYR 80 80 50141 1 . ASN 81 81 50141 1 . SER 82 82 50141 1 . ASN 83 83 50141 1 . THR 84 84 50141 1 . LYS 85 85 50141 1 . VAL 86 86 50141 1 . ILE 87 87 50141 1 . VAL 88 88 50141 1 . ARG 89 89 50141 1 . ASN 90 90 50141 1 . PRO 91 91 50141 1 . THR 92 92 50141 1 . PHE 93 93 50141 1 . LYS 94 94 50141 1 . GLY 95 95 50141 1 . GLY 96 96 50141 1 . SER 97 97 50141 1 . TYR 98 98 50141 1 . ARG 99 99 50141 1 . ASN 100 100 50141 1 . ARG 101 101 50141 1 . LYS 102 102 50141 1 . LYS 103 103 50141 1 . GLN 104 104 50141 1 . SER 105 105 50141 1 . ILE 106 106 50141 1 . ASP 107 107 50141 1 . VAL 108 108 50141 1 . PHE 109 109 50141 1 . ILE 110 110 50141 1 . GLN 111 111 50141 1 . LYS 112 112 50141 1 . ILE 113 113 50141 1 . SER 114 114 50141 1 . GLU 115 115 50141 1 . TYR 116 116 50141 1 . THR 117 117 50141 1 . ASP 118 118 50141 1 . TYR 119 119 50141 1 . LYS 120 120 50141 1 . ASN 121 121 50141 1 . ASP 122 122 50141 1 . ILE 123 123 50141 1 . LEU 124 124 50141 1 . ASN 125 125 50141 1 . LYS 126 126 50141 1 . TYR 127 127 50141 1 . THR 128 128 50141 1 . LYS 129 129 50141 1 . LEU 130 130 50141 1 . ASP 131 131 50141 1 . ASP 132 132 50141 1 . ILE 133 133 50141 1 . ALA 134 134 50141 1 . ASN 135 135 50141 1 . SER 136 136 50141 1 . PHE 137 137 50141 1 . ASN 138 138 50141 1 . LEU 139 139 50141 1 . GLY 140 140 50141 1 . LEU 141 141 50141 1 . SER 142 142 50141 1 . TYR 143 143 50141 1 . MET 144 144 50141 1 . GLU 145 145 50141 1 . SER 146 146 50141 1 . LEU 147 147 50141 1 . LEU 148 148 50141 1 . LYS 149 149 50141 1 . LYS 150 150 50141 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 50141 _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 . 10261 virus . 'Avipoxvirus Fowlpox virus' 'Avipoxvirus Fowlpox virus' . . Virus . Avipoxvirus fowlpox . . . . . . . . . . . FPV187 . 50141 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 50141 _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' . . . . . BL21 DE3 . plasmid . . pET24a . . . 50141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50141 _Sample.ID 1 _Sample.Name '2H, 15N, 13C-labeled Fpr C151Stop D135N' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The 2H, 15N, 13C-labeled Fpr C151Stop D135N protein was obtained by growing the transformed BL21(DE3) bacterial cells in M9/D2O minimal medium with a final pH of 8.2 (50 mM Na2HPO4, 25 mM KH2PO4, 10 mM NaCl, 5 mM MgSO4, 0.1 mM CaCl2, 1% Thiamine, 0.15% 15NH4Cl, 0.3% Deuterated 13C6 D-glucose). ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fpr C151Stop D135N' '[U-2H; U-15N; U-13C]' . . 1 $entity_1 . . . . . . . . . . 50141 1 2 L-Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 50141 1 3 L-Glutamine 'natural abundance' . . . . . . 25 . . mM . . . . 50141 1 4 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 50141 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 50141 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample conditions for all backbone assignment experiments' _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' 0.05 . M 50141 1 pH 7 . pH 50141 1 pressure 1 . atm 50141 1 temperature 303 . K 50141 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50141 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 50141 1 CCPN . . 50141 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID PINE 'chemical shift assignment' 50141 1 Analysis 'peak picking' 50141 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 50141 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 50141 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50141 1 2 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50141 1 3 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50141 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50141 1 5 '3D HN(CA)CO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50141 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' trosy_30C_25mMArgGlu_C13sample.zip . 'Time-domain (raw spectral data)' . . 50141 1 2 '3D HNCO' TROSY_HNCO_FPHJRonly_25mM_ArgGlu.zip . 'Time-domain (raw spectral data)' . . 50141 1 3 '3D HNCA' trosy_HNCA_30C_25mMArgGlu_C13sample.zip . 'Time-domain (raw spectral data)' . . 50141 1 4 '3D HNCACB' trosy_HNCACB_30C_25mMArgGlu_C13sample.zip . 'Time-domain (raw spectral data)' . . 50141 1 5 '3D HN(CA)CO' TROSY_HNCACO_25mMArgGlu_FPHJR.zip . 'Time-domain (raw spectral data)' . . 50141 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 50141 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS chemical shift reference' _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 glucose 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 50141 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50141 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal direct 1 . . . . . 50141 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 50141 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FPHJR_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '2D 1H-15N HSQC' . . . 50141 1 2 '3D HNCO' . . . 50141 1 3 '3D HNCA' . . . 50141 1 4 '3D HNCACB' . . . 50141 1 5 '3D HN(CA)CO' . . . 50141 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 . . 50141 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 1 1 MET C C 13 174.463 0.20 . 1 . . . . . 1 MET C . 50141 1 2 . 1 . 1 1 1 MET CA C 13 54.700 0.200 . 1 . . . . . 1 MET CA . 50141 1 3 . 1 . 1 2 2 ILE H H 1 10.367 0.02 . 1 . . . . . 2 ILE H . 50141 1 4 . 1 . 1 2 2 ILE C C 13 179.204 0.20 . 1 . . . . . 2 ILE C . 50141 1 5 . 1 . 1 2 2 ILE CA C 13 58.600 0.200 . 1 . . . . . 2 ILE CA . 50141 1 6 . 1 . 1 2 2 ILE CB C 13 36.700 0.200 . 1 . . . . . 2 ILE CB . 50141 1 7 . 1 . 1 2 2 ILE N N 15 128.622 0.20 . 1 . . . . . 2 ILE N . 50141 1 8 . 1 . 1 3 3 ILE H H 1 9.354 0.02 . 1 . . . . . 3 ILE H . 50141 1 9 . 1 . 1 3 3 ILE C C 13 176.693 0.20 . 1 . . . . . 3 ILE C . 50141 1 10 . 1 . 1 3 3 ILE CA C 13 59.200 0.200 . 1 . . . . . 3 ILE CA . 50141 1 11 . 1 . 1 3 3 ILE CB C 13 40.200 0.200 . 1 . . . . . 3 ILE CB . 50141 1 12 . 1 . 1 3 3 ILE N N 15 130.282 0.20 . 1 . . . . . 3 ILE N . 50141 1 13 . 1 . 1 4 4 CYS H H 1 8.945 0.02 . 1 . . . . . 4 CYS H . 50141 1 14 . 1 . 1 4 4 CYS C C 13 175.763 0.20 . 1 . . . . . 4 CYS C . 50141 1 15 . 1 . 1 4 4 CYS CB C 13 27.900 0.200 . 1 . . . . . 4 CYS CB . 50141 1 16 . 1 . 1 4 4 CYS N N 15 127.987 0.20 . 1 . . . . . 4 CYS N . 50141 1 17 . 1 . 1 5 5 SER H H 1 9.822 0.02 . 1 . . . . . 5 SER H . 50141 1 18 . 1 . 1 5 5 SER C C 13 176.515 0.20 . 1 . . . . . 5 SER C . 50141 1 19 . 1 . 1 5 5 SER CA C 13 55.400 0.200 . 1 . . . . . 5 SER CA . 50141 1 20 . 1 . 1 5 5 SER CB C 13 64.000 0.200 . 1 . . . . . 5 SER CB . 50141 1 21 . 1 . 1 5 5 SER N N 15 124.709 0.20 . 1 . . . . . 5 SER N . 50141 1 22 . 1 . 1 6 6 VAL H H 1 8.804 0.02 . 1 . . . . . 6 VAL H . 50141 1 23 . 1 . 1 6 6 VAL C C 13 177.141 0.20 . 1 . . . . . 6 VAL C . 50141 1 24 . 1 . 1 6 6 VAL CA C 13 60.300 0.200 . 1 . . . . . 6 VAL CA . 50141 1 25 . 1 . 1 6 6 VAL N N 15 124.853 0.20 . 1 . . . . . 6 VAL N . 50141 1 26 . 1 . 1 7 7 ASP H H 1 7.007 0.02 . 1 . . . . . 7 ASP H . 50141 1 27 . 1 . 1 7 7 ASP N N 15 115.849 0.20 . 1 . . . . . 7 ASP N . 50141 1 28 . 1 . 1 10 10 ILE H H 1 7.856 0.02 . 1 . . . . . 10 ILE H . 50141 1 29 . 1 . 1 10 10 ILE C C 13 178.622 0.20 . 1 . . . . . 10 ILE C . 50141 1 30 . 1 . 1 10 10 ILE CA C 13 60.300 0.200 . 1 . . . . . 10 ILE CA . 50141 1 31 . 1 . 1 10 10 ILE CB C 13 38.300 0.200 . 1 . . . . . 10 ILE CB . 50141 1 32 . 1 . 1 10 10 ILE N N 15 119.952 0.20 . 1 . . . . . 10 ILE N . 50141 1 33 . 1 . 1 11 11 LYS H H 1 8.019 0.02 . 1 . . . . . 11 LYS H . 50141 1 34 . 1 . 1 11 11 LYS C C 13 179.576 0.20 . 1 . . . . . 11 LYS C . 50141 1 35 . 1 . 1 11 11 LYS CA C 13 58.400 0.200 . 1 . . . . . 11 LYS CA . 50141 1 36 . 1 . 1 11 11 LYS CB C 13 31.800 0.200 . 1 . . . . . 11 LYS CB . 50141 1 37 . 1 . 1 11 11 LYS CE C 13 42.100 0.200 . 1 . . . . . 11 LYS CE . 50141 1 38 . 1 . 1 11 11 LYS N N 15 120.063 0.20 . 1 . . . . . 11 LYS N . 50141 1 39 . 1 . 1 12 12 ASN H H 1 7.788 0.02 . 1 . . . . . 12 ASN H . 50141 1 40 . 1 . 1 12 12 ASN CB C 13 39.000 0.200 . 1 . . . . . 12 ASN CB . 50141 1 41 . 1 . 1 12 12 ASN N N 15 115.877 0.20 . 1 . . . . . 12 ASN N . 50141 1 42 . 1 . 1 13 13 PRO C C 13 177.886 0.20 . 1 . . . . . 13 PRO C . 50141 1 43 . 1 . 1 13 13 PRO CA C 13 62.800 0.200 . 1 . . . . . 13 PRO CA . 50141 1 44 . 1 . 1 13 13 PRO CB C 13 31.400 0.200 . 1 . . . . . 13 PRO CB . 50141 1 45 . 1 . 1 14 14 ALA H H 1 7.564 0.02 . 1 . . . . . 14 ALA H . 50141 1 46 . 1 . 1 14 14 ALA C C 13 177.753 0.20 . 1 . . . . . 14 ALA C . 50141 1 47 . 1 . 1 14 14 ALA CA C 13 49.700 0.200 . 1 . . . . . 14 ALA CA . 50141 1 48 . 1 . 1 14 14 ALA N N 15 123.650 0.20 . 1 . . . . . 14 ALA N . 50141 1 49 . 1 . 1 15 15 TYR H H 1 8.495 0.02 . 1 . . . . . 15 TYR H . 50141 1 50 . 1 . 1 15 15 TYR C C 13 174.270 0.20 . 1 . . . . . 15 TYR C . 50141 1 51 . 1 . 1 15 15 TYR CA C 13 54.600 0.200 . 1 . . . . . 15 TYR CA . 50141 1 52 . 1 . 1 15 15 TYR CB C 13 41.100 0.200 . 1 . . . . . 15 TYR CB . 50141 1 53 . 1 . 1 15 15 TYR N N 15 116.236 0.20 . 1 . . . . . 15 TYR N . 50141 1 54 . 1 . 1 16 16 ALA H H 1 8.944 0.02 . 1 . . . . . 16 ALA H . 50141 1 55 . 1 . 1 16 16 ALA C C 13 177.500 0.20 . 1 . . . . . 16 ALA C . 50141 1 56 . 1 . 1 16 16 ALA N N 15 122.341 0.20 . 1 . . . . . 16 ALA N . 50141 1 57 . 1 . 1 17 17 ILE H H 1 7.096 0.02 . 1 . . . . . 17 ILE H . 50141 1 58 . 1 . 1 17 17 ILE C C 13 179.122 0.20 . 1 . . . . . 17 ILE C . 50141 1 59 . 1 . 1 17 17 ILE N N 15 116.554 0.20 . 1 . . . . . 17 ILE N . 50141 1 60 . 1 . 1 18 18 PHE H H 1 7.992 0.02 . 1 . . . . . 18 PHE H . 50141 1 61 . 1 . 1 18 18 PHE C C 13 177.414 0.20 . 1 . . . . . 18 PHE C . 50141 1 62 . 1 . 1 18 18 PHE CA C 13 60.300 0.200 . 1 . . . . . 18 PHE CA . 50141 1 63 . 1 . 1 18 18 PHE N N 15 120.916 0.20 . 1 . . . . . 18 PHE N . 50141 1 64 . 1 . 1 19 19 ASN H H 1 9.134 0.02 . 1 . . . . . 19 ASN H . 50141 1 65 . 1 . 1 19 19 ASN C C 13 177.435 0.20 . 1 . . . . . 19 ASN C . 50141 1 66 . 1 . 1 19 19 ASN CA C 13 52.000 0.200 . 1 . . . . . 19 ASN CA . 50141 1 67 . 1 . 1 19 19 ASN N N 15 126.268 0.20 . 1 . . . . . 19 ASN N . 50141 1 68 . 1 . 1 20 20 TYR H H 1 9.197 0.02 . 1 . . . . . 20 TYR H . 50141 1 69 . 1 . 1 20 20 TYR C C 13 176.284 0.20 . 1 . . . . . 20 TYR C . 50141 1 70 . 1 . 1 20 20 TYR CA C 13 55.500 0.200 . 1 . . . . . 20 TYR CA . 50141 1 71 . 1 . 1 20 20 TYR CB C 13 40.400 0.200 . 1 . . . . . 20 TYR CB . 50141 1 72 . 1 . 1 20 20 TYR N N 15 127.722 0.20 . 1 . . . . . 20 TYR N . 50141 1 73 . 1 . 1 21 21 ASP H H 1 8.119 0.02 . 1 . . . . . 21 ASP H . 50141 1 74 . 1 . 1 21 21 ASP C C 13 178.490 0.20 . 1 . . . . . 21 ASP C . 50141 1 75 . 1 . 1 21 21 ASP CA C 13 51.900 0.200 . 1 . . . . . 21 ASP CA . 50141 1 76 . 1 . 1 21 21 ASP CB C 13 41.600 0.200 . 1 . . . . . 21 ASP CB . 50141 1 77 . 1 . 1 21 21 ASP N N 15 128.805 0.20 . 1 . . . . . 21 ASP N . 50141 1 78 . 1 . 1 22 22 ASN H H 1 8.377 0.02 . 1 . . . . . 22 ASN H . 50141 1 79 . 1 . 1 22 22 ASN C C 13 179.009 0.20 . 1 . . . . . 22 ASN C . 50141 1 80 . 1 . 1 22 22 ASN CA C 13 54.800 0.200 . 1 . . . . . 22 ASN CA . 50141 1 81 . 1 . 1 22 22 ASN CB C 13 37.500 0.200 . 1 . . . . . 22 ASN CB . 50141 1 82 . 1 . 1 22 22 ASN N N 15 123.227 0.20 . 1 . . . . . 22 ASN N . 50141 1 83 . 1 . 1 23 23 THR H H 1 8.329 0.02 . 1 . . . . . 23 THR H . 50141 1 84 . 1 . 1 23 23 THR C C 13 178.370 0.20 . 1 . . . . . 23 THR C . 50141 1 85 . 1 . 1 23 23 THR CA C 13 64.700 0.200 . 1 . . . . . 23 THR CA . 50141 1 86 . 1 . 1 23 23 THR CB C 13 67.900 0.200 . 1 . . . . . 23 THR CB . 50141 1 87 . 1 . 1 23 23 THR N N 15 114.752 0.20 . 1 . . . . . 23 THR N . 50141 1 88 . 1 . 1 24 24 SER H H 1 7.462 0.02 . 1 . . . . . 24 SER H . 50141 1 89 . 1 . 1 24 24 SER C C 13 177.574 0.20 . 1 . . . . . 24 SER C . 50141 1 90 . 1 . 1 24 24 SER CA C 13 57.600 0.200 . 1 . . . . . 24 SER CA . 50141 1 91 . 1 . 1 24 24 SER CB C 13 63.900 0.200 . 1 . . . . . 24 SER CB . 50141 1 92 . 1 . 1 24 24 SER N N 15 114.037 0.20 . 1 . . . . . 24 SER N . 50141 1 93 . 1 . 1 25 25 ASN H H 1 7.965 0.02 . 1 . . . . . 25 ASN H . 50141 1 94 . 1 . 1 25 25 ASN C C 13 176.696 0.20 . 1 . . . . . 25 ASN C . 50141 1 95 . 1 . 1 25 25 ASN CA C 13 54.100 0.200 . 1 . . . . . 25 ASN CA . 50141 1 96 . 1 . 1 25 25 ASN CB C 13 36.800 0.200 . 1 . . . . . 25 ASN CB . 50141 1 97 . 1 . 1 25 25 ASN N N 15 120.213 0.20 . 1 . . . . . 25 ASN N . 50141 1 98 . 1 . 1 26 26 THR H H 1 7.268 0.02 . 1 . . . . . 26 THR H . 50141 1 99 . 1 . 1 26 26 THR C C 13 176.462 0.20 . 1 . . . . . 26 THR C . 50141 1 100 . 1 . 1 26 26 THR CA C 13 61.100 0.200 . 1 . . . . . 26 THR CA . 50141 1 101 . 1 . 1 26 26 THR CB C 13 70.500 0.200 . 1 . . . . . 26 THR CB . 50141 1 102 . 1 . 1 26 26 THR N N 15 110.137 0.20 . 1 . . . . . 26 THR N . 50141 1 103 . 1 . 1 27 27 ILE H H 1 8.670 0.02 . 1 . . . . . 27 ILE H . 50141 1 104 . 1 . 1 27 27 ILE C C 13 177.627 0.20 . 1 . . . . . 27 ILE C . 50141 1 105 . 1 . 1 27 27 ILE CA C 13 60.600 0.200 . 1 . . . . . 27 ILE CA . 50141 1 106 . 1 . 1 27 27 ILE CB C 13 40.300 0.200 . 1 . . . . . 27 ILE CB . 50141 1 107 . 1 . 1 27 27 ILE N N 15 125.630 0.20 . 1 . . . . . 27 ILE N . 50141 1 108 . 1 . 1 28 28 LYS H H 1 8.710 0.02 . 1 . . . . . 28 LYS H . 50141 1 109 . 1 . 1 28 28 LYS C C 13 178.855 0.20 . 1 . . . . . 28 LYS C . 50141 1 110 . 1 . 1 28 28 LYS CA C 13 54.500 0.200 . 1 . . . . . 28 LYS CA . 50141 1 111 . 1 . 1 28 28 LYS CE C 13 42.100 0.200 . 1 . . . . . 28 LYS CE . 50141 1 112 . 1 . 1 28 28 LYS N N 15 125.124 0.20 . 1 . . . . . 28 LYS N . 50141 1 113 . 1 . 1 29 29 LEU H H 1 9.083 0.02 . 1 . . . . . 29 LEU H . 50141 1 114 . 1 . 1 29 29 LEU C C 13 178.236 0.20 . 1 . . . . . 29 LEU C . 50141 1 115 . 1 . 1 29 29 LEU CA C 13 54.500 0.200 . 1 . . . . . 29 LEU CA . 50141 1 116 . 1 . 1 29 29 LEU CB C 13 42.200 0.200 . 1 . . . . . 29 LEU CB . 50141 1 117 . 1 . 1 29 29 LEU N N 15 126.399 0.20 . 1 . . . . . 29 LEU N . 50141 1 118 . 1 . 1 30 30 ILE H H 1 9.071 0.02 . 1 . . . . . 30 ILE H . 50141 1 119 . 1 . 1 30 30 ILE C C 13 178.995 0.20 . 1 . . . . . 30 ILE C . 50141 1 120 . 1 . 1 30 30 ILE CA C 13 61.200 0.200 . 1 . . . . . 30 ILE CA . 50141 1 121 . 1 . 1 30 30 ILE CB C 13 37.300 0.200 . 1 . . . . . 30 ILE CB . 50141 1 122 . 1 . 1 30 30 ILE N N 15 128.162 0.20 . 1 . . . . . 30 ILE N . 50141 1 123 . 1 . 1 31 31 ALA H H 1 7.401 0.02 . 1 . . . . . 31 ALA H . 50141 1 124 . 1 . 1 31 31 ALA C C 13 177.758 0.20 . 1 . . . . . 31 ALA C . 50141 1 125 . 1 . 1 31 31 ALA CA C 13 51.600 0.200 . 1 . . . . . 31 ALA CA . 50141 1 126 . 1 . 1 31 31 ALA N N 15 119.111 0.20 . 1 . . . . . 31 ALA N . 50141 1 127 . 1 . 1 32 32 ILE H H 1 8.207 0.02 . 1 . . . . . 32 ILE H . 50141 1 128 . 1 . 1 32 32 ILE C C 13 176.603 0.20 . 1 . . . . . 32 ILE C . 50141 1 129 . 1 . 1 32 32 ILE CA C 13 60.700 0.200 . 1 . . . . . 32 ILE CA . 50141 1 130 . 1 . 1 32 32 ILE CB C 13 39.900 0.200 . 1 . . . . . 32 ILE CB . 50141 1 131 . 1 . 1 32 32 ILE N N 15 119.405 0.20 . 1 . . . . . 32 ILE N . 50141 1 132 . 1 . 1 33 33 GLU H H 1 8.430 0.02 . 1 . . . . . 33 GLU H . 50141 1 133 . 1 . 1 33 33 GLU CA C 13 53.900 0.200 . 1 . . . . . 33 GLU CA . 50141 1 134 . 1 . 1 33 33 GLU N N 15 124.596 0.20 . 1 . . . . . 33 GLU N . 50141 1 135 . 1 . 1 34 34 LYS H H 1 7.892 0.02 . 1 . . . . . 34 LYS H . 50141 1 136 . 1 . 1 34 34 LYS CA C 13 55.100 0.200 . 1 . . . . . 34 LYS CA . 50141 1 137 . 1 . 1 34 34 LYS CB C 13 32.700 0.200 . 1 . . . . . 34 LYS CB . 50141 1 138 . 1 . 1 34 34 LYS CE C 13 42.100 0.200 . 1 . . . . . 34 LYS CE . 50141 1 139 . 1 . 1 34 34 LYS N N 15 120.043 0.20 . 1 . . . . . 34 LYS N . 50141 1 140 . 1 . 1 35 35 SER C C 13 175.950 0.20 . 1 . . . . . 35 SER C . 50141 1 141 . 1 . 1 35 35 SER CA C 13 57.300 0.200 . 1 . . . . . 35 SER CA . 50141 1 142 . 1 . 1 35 35 SER CB C 13 63.700 0.200 . 1 . . . . . 35 SER CB . 50141 1 143 . 1 . 1 36 36 ASP H H 1 8.401 0.02 . 1 . . . . . 36 ASP H . 50141 1 144 . 1 . 1 36 36 ASP C C 13 179.579 0.20 . 1 . . . . . 36 ASP C . 50141 1 145 . 1 . 1 36 36 ASP CB C 13 40.300 0.200 . 1 . . . . . 36 ASP CB . 50141 1 146 . 1 . 1 36 36 ASP N N 15 119.319 0.20 . 1 . . . . . 36 ASP N . 50141 1 147 . 1 . 1 37 37 TRP H H 1 8.801 0.02 . 1 . . . . . 37 TRP H . 50141 1 148 . 1 . 1 37 37 TRP C C 13 178.951 0.20 . 1 . . . . . 37 TRP C . 50141 1 149 . 1 . 1 37 37 TRP CA C 13 53.500 0.200 . 1 . . . . . 37 TRP CA . 50141 1 150 . 1 . 1 37 37 TRP CB C 13 28.100 0.200 . 1 . . . . . 37 TRP CB . 50141 1 151 . 1 . 1 37 37 TRP N N 15 126.368 0.20 . 1 . . . . . 37 TRP N . 50141 1 152 . 1 . 1 38 38 THR H H 1 8.157 0.02 . 1 . . . . . 38 THR H . 50141 1 153 . 1 . 1 38 38 THR C C 13 178.297 0.20 . 1 . . . . . 38 THR C . 50141 1 154 . 1 . 1 38 38 THR CA C 13 63.400 0.200 . 1 . . . . . 38 THR CA . 50141 1 155 . 1 . 1 38 38 THR CB C 13 69.300 0.200 . 1 . . . . . 38 THR CB . 50141 1 156 . 1 . 1 38 38 THR N N 15 111.832 0.20 . 1 . . . . . 38 THR N . 50141 1 157 . 1 . 1 39 39 LYS H H 1 8.204 0.02 . 1 . . . . . 39 LYS H . 50141 1 158 . 1 . 1 39 39 LYS C C 13 179.183 0.20 . 1 . . . . . 39 LYS C . 50141 1 159 . 1 . 1 39 39 LYS CB C 13 32.000 0.200 . 1 . . . . . 39 LYS CB . 50141 1 160 . 1 . 1 39 39 LYS CE C 13 42.100 0.200 . 1 . . . . . 39 LYS CE . 50141 1 161 . 1 . 1 39 39 LYS N N 15 122.476 0.20 . 1 . . . . . 39 LYS N . 50141 1 162 . 1 . 1 40 40 ASN H H 1 7.471 0.02 . 1 . . . . . 40 ASN H . 50141 1 163 . 1 . 1 40 40 ASN C C 13 180.690 0.20 . 1 . . . . . 40 ASN C . 50141 1 164 . 1 . 1 40 40 ASN CA C 13 55.600 0.200 . 1 . . . . . 40 ASN CA . 50141 1 165 . 1 . 1 40 40 ASN N N 15 116.010 0.20 . 1 . . . . . 40 ASN N . 50141 1 166 . 1 . 1 41 41 TRP H H 1 7.694 0.02 . 1 . . . . . 41 TRP H . 50141 1 167 . 1 . 1 41 41 TRP CA C 13 57.300 0.200 . 1 . . . . . 41 TRP CA . 50141 1 168 . 1 . 1 41 41 TRP CB C 13 28.500 0.200 . 1 . . . . . 41 TRP CB . 50141 1 169 . 1 . 1 41 41 TRP N N 15 119.867 0.20 . 1 . . . . . 41 TRP N . 50141 1 170 . 1 . 1 42 42 GLU H H 1 8.126 0.02 . 1 . . . . . 42 GLU H . 50141 1 171 . 1 . 1 42 42 GLU C C 13 179.534 0.20 . 1 . . . . . 42 GLU C . 50141 1 172 . 1 . 1 42 42 GLU CA C 13 59.900 0.200 . 1 . . . . . 42 GLU CA . 50141 1 173 . 1 . 1 42 42 GLU CB C 13 29.500 0.200 . 1 . . . . . 42 GLU CB . 50141 1 174 . 1 . 1 42 42 GLU N N 15 123.482 0.20 . 1 . . . . . 42 GLU N . 50141 1 175 . 1 . 1 43 43 ARG H H 1 6.838 0.02 . 1 . . . . . 43 ARG H . 50141 1 176 . 1 . 1 43 43 ARG CA C 13 57.500 0.200 . 1 . . . . . 43 ARG CA . 50141 1 177 . 1 . 1 43 43 ARG CD C 13 43.300 0.200 . 1 . . . . . 43 ARG CD . 50141 1 178 . 1 . 1 43 43 ARG N N 15 115.494 0.20 . 1 . . . . . 43 ARG N . 50141 1 179 . 1 . 1 44 44 SER C C 13 177.601 0.20 . 1 . . . . . 44 SER C . 50141 1 180 . 1 . 1 44 44 SER CB C 13 62.700 0.200 . 1 . . . . . 44 SER CB . 50141 1 181 . 1 . 1 45 45 VAL H H 1 8.197 0.02 . 1 . . . . . 45 VAL H . 50141 1 182 . 1 . 1 45 45 VAL C C 13 180.065 0.20 . 1 . . . . . 45 VAL C . 50141 1 183 . 1 . 1 45 45 VAL CA C 13 65.500 0.200 . 1 . . . . . 45 VAL CA . 50141 1 184 . 1 . 1 45 45 VAL N N 15 123.020 0.20 . 1 . . . . . 45 VAL N . 50141 1 185 . 1 . 1 46 46 ALA H H 1 7.244 0.02 . 1 . . . . . 46 ALA H . 50141 1 186 . 1 . 1 46 46 ALA C C 13 183.030 0.20 . 1 . . . . . 46 ALA C . 50141 1 187 . 1 . 1 46 46 ALA CA C 13 54.600 0.200 . 1 . . . . . 46 ALA CA . 50141 1 188 . 1 . 1 46 46 ALA CB C 13 18.100 0.200 . 1 . . . . . 46 ALA CB . 50141 1 189 . 1 . 1 46 46 ALA N N 15 119.186 0.20 . 1 . . . . . 46 ALA N . 50141 1 190 . 1 . 1 47 47 ARG H H 1 7.912 0.02 . 1 . . . . . 47 ARG H . 50141 1 191 . 1 . 1 47 47 ARG C C 13 177.584 0.20 . 1 . . . . . 47 ARG C . 50141 1 192 . 1 . 1 47 47 ARG CA C 13 58.300 0.200 . 1 . . . . . 47 ARG CA . 50141 1 193 . 1 . 1 47 47 ARG CD C 13 43.300 0.200 . 1 . . . . . 47 ARG CD . 50141 1 194 . 1 . 1 47 47 ARG N N 15 118.633 0.20 . 1 . . . . . 47 ARG N . 50141 1 195 . 1 . 1 48 48 ASP H H 1 7.826 0.02 . 1 . . . . . 48 ASP H . 50141 1 196 . 1 . 1 48 48 ASP CA C 13 53.200 0.200 . 1 . . . . . 48 ASP CA . 50141 1 197 . 1 . 1 48 48 ASP N N 15 114.644 0.20 . 1 . . . . . 48 ASP N . 50141 1 198 . 1 . 1 49 49 LEU C C 13 180.394 0.20 . 1 . . . . . 49 LEU C . 50141 1 199 . 1 . 1 50 50 THR H H 1 7.676 0.02 . 1 . . . . . 50 THR H . 50141 1 200 . 1 . 1 50 50 THR CA C 13 60.200 0.200 . 1 . . . . . 50 THR CA . 50141 1 201 . 1 . 1 50 50 THR N N 15 122.115 0.20 . 1 . . . . . 50 THR N . 50141 1 202 . 1 . 1 51 51 ARG H H 1 8.269 0.02 . 1 . . . . . 51 ARG H . 50141 1 203 . 1 . 1 51 51 ARG CD C 13 43.300 0.200 . 1 . . . . . 51 ARG CD . 50141 1 204 . 1 . 1 51 51 ARG N N 15 118.415 0.20 . 1 . . . . . 51 ARG N . 50141 1 205 . 1 . 1 52 52 TYR H H 1 7.977 0.02 . 1 . . . . . 52 TYR H . 50141 1 206 . 1 . 1 52 52 TYR CA C 13 57.000 0.200 . 1 . . . . . 52 TYR CA . 50141 1 207 . 1 . 1 52 52 TYR N N 15 118.490 0.20 . 1 . . . . . 52 TYR N . 50141 1 208 . 1 . 1 53 53 ASN H H 1 8.103 0.02 . 1 . . . . . 53 ASN H . 50141 1 209 . 1 . 1 53 53 ASN N N 15 118.823 0.20 . 1 . . . . . 53 ASN N . 50141 1 210 . 1 . 1 54 54 PRO C C 13 180.483 0.20 . 1 . . . . . 54 PRO C . 50141 1 211 . 1 . 1 54 54 PRO CA C 13 62.300 0.200 . 1 . . . . . 54 PRO CA . 50141 1 212 . 1 . 1 55 55 ASP H H 1 8.178 0.02 . 1 . . . . . 55 ASP H . 50141 1 213 . 1 . 1 55 55 ASP N N 15 120.676 0.20 . 1 . . . . . 55 ASP N . 50141 1 214 . 1 . 1 56 56 VAL CA C 13 63.000 0.200 . 1 . . . . . 56 VAL CA . 50141 1 215 . 1 . 1 57 57 VAL CA C 13 59.300 0.200 . 1 . . . . . 57 VAL CA . 50141 1 216 . 1 . 1 58 58 ILE H H 1 8.104 0.02 . 1 . . . . . 58 ILE H . 50141 1 217 . 1 . 1 58 58 ILE CA C 13 63.000 0.200 . 1 . . . . . 58 ILE CA . 50141 1 218 . 1 . 1 58 58 ILE N N 15 122.890 0.20 . 1 . . . . . 58 ILE N . 50141 1 219 . 1 . 1 59 59 LEU H H 1 8.118 0.02 . 1 . . . . . 59 LEU H . 50141 1 220 . 1 . 1 59 59 LEU C C 13 181.736 0.20 . 1 . . . . . 59 LEU C . 50141 1 221 . 1 . 1 59 59 LEU CA C 13 56.600 0.200 . 1 . . . . . 59 LEU CA . 50141 1 222 . 1 . 1 59 59 LEU N N 15 121.069 0.20 . 1 . . . . . 59 LEU N . 50141 1 223 . 1 . 1 60 60 GLU H H 1 7.750 0.02 . 1 . . . . . 60 GLU H . 50141 1 224 . 1 . 1 60 60 GLU C C 13 179.122 0.20 . 1 . . . . . 60 GLU C . 50141 1 225 . 1 . 1 60 60 GLU N N 15 119.745 0.20 . 1 . . . . . 60 GLU N . 50141 1 226 . 1 . 1 61 61 LYS H H 1 7.998 0.02 . 1 . . . . . 61 LYS H . 50141 1 227 . 1 . 1 61 61 LYS C C 13 179.399 0.20 . 1 . . . . . 61 LYS C . 50141 1 228 . 1 . 1 61 61 LYS CA C 13 52.700 0.200 . 1 . . . . . 61 LYS CA . 50141 1 229 . 1 . 1 61 61 LYS CE C 13 42.100 0.200 . 1 . . . . . 61 LYS CE . 50141 1 230 . 1 . 1 61 61 LYS N N 15 120.984 0.20 . 1 . . . . . 61 LYS N . 50141 1 231 . 1 . 1 62 62 GLN H H 1 7.535 0.02 . 1 . . . . . 62 GLN H . 50141 1 232 . 1 . 1 62 62 GLN C C 13 178.675 0.20 . 1 . . . . . 62 GLN C . 50141 1 233 . 1 . 1 62 62 GLN CA C 13 60.300 0.200 . 1 . . . . . 62 GLN CA . 50141 1 234 . 1 . 1 62 62 GLN N N 15 120.788 0.20 . 1 . . . . . 62 GLN N . 50141 1 235 . 1 . 1 63 63 GLY H H 1 8.082 0.02 . 1 . . . . . 63 GLY H . 50141 1 236 . 1 . 1 63 63 GLY C C 13 180.176 0.20 . 1 . . . . . 63 GLY C . 50141 1 237 . 1 . 1 63 63 GLY CA C 13 45.100 0.200 . 1 . . . . . 63 GLY CA . 50141 1 238 . 1 . 1 63 63 GLY N N 15 109.991 0.20 . 1 . . . . . 63 GLY N . 50141 1 239 . 1 . 1 64 64 PHE H H 1 7.697 0.02 . 1 . . . . . 64 PHE H . 50141 1 240 . 1 . 1 64 64 PHE C C 13 180.840 0.20 . 1 . . . . . 64 PHE C . 50141 1 241 . 1 . 1 64 64 PHE CA C 13 57.000 0.200 . 1 . . . . . 64 PHE CA . 50141 1 242 . 1 . 1 64 64 PHE N N 15 113.953 0.20 . 1 . . . . . 64 PHE N . 50141 1 243 . 1 . 1 65 65 LYS H H 1 7.855 0.02 . 1 . . . . . 65 LYS H . 50141 1 244 . 1 . 1 65 65 LYS C C 13 177.384 0.20 . 1 . . . . . 65 LYS C . 50141 1 245 . 1 . 1 65 65 LYS CA C 13 56.600 0.200 . 1 . . . . . 65 LYS CA . 50141 1 246 . 1 . 1 65 65 LYS CE C 13 42.100 0.200 . 1 . . . . . 65 LYS CE . 50141 1 247 . 1 . 1 65 65 LYS N N 15 119.164 0.20 . 1 . . . . . 65 LYS N . 50141 1 248 . 1 . 1 66 66 SER H H 1 8.079 0.02 . 1 . . . . . 66 SER H . 50141 1 249 . 1 . 1 66 66 SER N N 15 116.177 0.20 . 1 . . . . . 66 SER N . 50141 1 250 . 1 . 1 67 67 PRO C C 13 180.270 0.20 . 1 . . . . . 67 PRO C . 50141 1 251 . 1 . 1 67 67 PRO CA C 13 63.900 0.200 . 1 . . . . . 67 PRO CA . 50141 1 252 . 1 . 1 68 68 ASN H H 1 8.033 0.02 . 1 . . . . . 68 ASN H . 50141 1 253 . 1 . 1 68 68 ASN C C 13 179.476 0.20 . 1 . . . . . 68 ASN C . 50141 1 254 . 1 . 1 68 68 ASN CA C 13 52.500 0.200 . 1 . . . . . 68 ASN CA . 50141 1 255 . 1 . 1 68 68 ASN CB C 13 37.700 0.200 . 1 . . . . . 68 ASN CB . 50141 1 256 . 1 . 1 68 68 ASN N N 15 114.049 0.20 . 1 . . . . . 68 ASN N . 50141 1 257 . 1 . 1 69 69 SER H H 1 7.819 0.02 . 1 . . . . . 69 SER H . 50141 1 258 . 1 . 1 69 69 SER C C 13 178.634 0.20 . 1 . . . . . 69 SER C . 50141 1 259 . 1 . 1 69 69 SER CA C 13 62.000 0.200 . 1 . . . . . 69 SER CA . 50141 1 260 . 1 . 1 69 69 SER N N 15 118.653 0.20 . 1 . . . . . 69 SER N . 50141 1 261 . 1 . 1 70 70 LYS H H 1 7.625 0.02 . 1 . . . . . 70 LYS H . 50141 1 262 . 1 . 1 70 70 LYS C C 13 178.860 0.20 . 1 . . . . . 70 LYS C . 50141 1 263 . 1 . 1 70 70 LYS CA C 13 58.400 0.200 . 1 . . . . . 70 LYS CA . 50141 1 264 . 1 . 1 70 70 LYS CE C 13 42.100 0.200 . 1 . . . . . 70 LYS CE . 50141 1 265 . 1 . 1 70 70 LYS N N 15 118.610 0.20 . 1 . . . . . 70 LYS N . 50141 1 266 . 1 . 1 71 71 ILE H H 1 6.904 0.02 . 1 . . . . . 71 ILE H . 50141 1 267 . 1 . 1 71 71 ILE C C 13 181.156 0.20 . 1 . . . . . 71 ILE C . 50141 1 268 . 1 . 1 71 71 ILE CA C 13 63.900 0.200 . 1 . . . . . 71 ILE CA . 50141 1 269 . 1 . 1 71 71 ILE CB C 13 36.400 0.200 . 1 . . . . . 71 ILE CB . 50141 1 270 . 1 . 1 71 71 ILE N N 15 118.623 0.20 . 1 . . . . . 71 ILE N . 50141 1 271 . 1 . 1 72 72 ILE H H 1 7.034 0.02 . 1 . . . . . 72 ILE H . 50141 1 272 . 1 . 1 72 72 ILE C C 13 180.477 0.20 . 1 . . . . . 72 ILE C . 50141 1 273 . 1 . 1 72 72 ILE CA C 13 65.100 0.200 . 1 . . . . . 72 ILE CA . 50141 1 274 . 1 . 1 72 72 ILE CB C 13 38.400 0.200 . 1 . . . . . 72 ILE CB . 50141 1 275 . 1 . 1 72 72 ILE N N 15 118.300 0.20 . 1 . . . . . 72 ILE N . 50141 1 276 . 1 . 1 73 73 TYR H H 1 7.024 0.02 . 1 . . . . . 73 TYR H . 50141 1 277 . 1 . 1 73 73 TYR CB C 13 38.500 0.200 . 1 . . . . . 73 TYR CB . 50141 1 278 . 1 . 1 73 73 TYR N N 15 116.547 0.20 . 1 . . . . . 73 TYR N . 50141 1 279 . 1 . 1 74 74 PHE H H 1 8.208 0.02 . 1 . . . . . 74 PHE H . 50141 1 280 . 1 . 1 74 74 PHE C C 13 180.206 0.20 . 1 . . . . . 74 PHE C . 50141 1 281 . 1 . 1 74 74 PHE CA C 13 61.500 0.200 . 1 . . . . . 74 PHE CA . 50141 1 282 . 1 . 1 74 74 PHE CB C 13 39.900 0.200 . 1 . . . . . 74 PHE CB . 50141 1 283 . 1 . 1 74 74 PHE N N 15 120.417 0.20 . 1 . . . . . 74 PHE N . 50141 1 284 . 1 . 1 75 75 ILE H H 1 8.541 0.02 . 1 . . . . . 75 ILE H . 50141 1 285 . 1 . 1 75 75 ILE C C 13 180.490 0.20 . 1 . . . . . 75 ILE C . 50141 1 286 . 1 . 1 75 75 ILE CA C 13 66.100 0.200 . 1 . . . . . 75 ILE CA . 50141 1 287 . 1 . 1 75 75 ILE CB C 13 36.700 0.200 . 1 . . . . . 75 ILE CB . 50141 1 288 . 1 . 1 75 75 ILE N N 15 120.453 0.20 . 1 . . . . . 75 ILE N . 50141 1 289 . 1 . 1 76 76 LYS H H 1 8.334 0.02 . 1 . . . . . 76 LYS H . 50141 1 290 . 1 . 1 76 76 LYS CA C 13 59.300 0.200 . 1 . . . . . 76 LYS CA . 50141 1 291 . 1 . 1 76 76 LYS CE C 13 42.100 0.200 . 1 . . . . . 76 LYS CE . 50141 1 292 . 1 . 1 76 76 LYS N N 15 117.769 0.20 . 1 . . . . . 76 LYS N . 50141 1 293 . 1 . 1 77 77 GLY C C 13 177.279 0.20 . 1 . . . . . 77 GLY C . 50141 1 294 . 1 . 1 77 77 GLY CA C 13 46.900 0.200 . 1 . . . . . 77 GLY CA . 50141 1 295 . 1 . 1 78 78 PHE H H 1 8.577 0.02 . 1 . . . . . 78 PHE H . 50141 1 296 . 1 . 1 78 78 PHE C C 13 179.787 0.20 . 1 . . . . . 78 PHE C . 50141 1 297 . 1 . 1 78 78 PHE CA C 13 60.000 0.200 . 1 . . . . . 78 PHE CA . 50141 1 298 . 1 . 1 78 78 PHE CB C 13 38.900 0.200 . 1 . . . . . 78 PHE CB . 50141 1 299 . 1 . 1 78 78 PHE N N 15 123.425 0.20 . 1 . . . . . 78 PHE N . 50141 1 300 . 1 . 1 79 79 PHE H H 1 7.422 0.02 . 1 . . . . . 79 PHE H . 50141 1 301 . 1 . 1 79 79 PHE C C 13 180.011 0.20 . 1 . . . . . 79 PHE C . 50141 1 302 . 1 . 1 79 79 PHE CA C 13 57.100 0.200 . 1 . . . . . 79 PHE CA . 50141 1 303 . 1 . 1 79 79 PHE N N 15 110.915 0.20 . 1 . . . . . 79 PHE N . 50141 1 304 . 1 . 1 80 80 TYR H H 1 7.506 0.02 . 1 . . . . . 80 TYR H . 50141 1 305 . 1 . 1 80 80 TYR C C 13 179.734 0.20 . 1 . . . . . 80 TYR C . 50141 1 306 . 1 . 1 80 80 TYR CA C 13 63.300 0.200 . 1 . . . . . 80 TYR CA . 50141 1 307 . 1 . 1 80 80 TYR CB C 13 38.300 0.200 . 1 . . . . . 80 TYR CB . 50141 1 308 . 1 . 1 80 80 TYR N N 15 125.609 0.20 . 1 . . . . . 80 TYR N . 50141 1 309 . 1 . 1 81 81 ASN H H 1 8.668 0.02 . 1 . . . . . 81 ASN H . 50141 1 310 . 1 . 1 81 81 ASN C C 13 177.038 0.20 . 1 . . . . . 81 ASN C . 50141 1 311 . 1 . 1 81 81 ASN CA C 13 52.000 0.200 . 1 . . . . . 81 ASN CA . 50141 1 312 . 1 . 1 81 81 ASN CB C 13 36.900 0.200 . 1 . . . . . 81 ASN CB . 50141 1 313 . 1 . 1 81 81 ASN N N 15 116.955 0.20 . 1 . . . . . 81 ASN N . 50141 1 314 . 1 . 1 82 82 SER H H 1 7.659 0.02 . 1 . . . . . 82 SER H . 50141 1 315 . 1 . 1 82 82 SER C C 13 176.237 0.20 . 1 . . . . . 82 SER C . 50141 1 316 . 1 . 1 82 82 SER CA C 13 57.500 0.200 . 1 . . . . . 82 SER CA . 50141 1 317 . 1 . 1 82 82 SER CB C 13 66.100 0.200 . 1 . . . . . 82 SER CB . 50141 1 318 . 1 . 1 82 82 SER N N 15 116.601 0.20 . 1 . . . . . 82 SER N . 50141 1 319 . 1 . 1 83 83 ASN H H 1 8.604 0.02 . 1 . . . . . 83 ASN H . 50141 1 320 . 1 . 1 83 83 ASN C C 13 178.277 0.20 . 1 . . . . . 83 ASN C . 50141 1 321 . 1 . 1 83 83 ASN CA C 13 53.200 0.200 . 1 . . . . . 83 ASN CA . 50141 1 322 . 1 . 1 83 83 ASN CB C 13 38.100 0.200 . 1 . . . . . 83 ASN CB . 50141 1 323 . 1 . 1 83 83 ASN N N 15 116.788 0.20 . 1 . . . . . 83 ASN N . 50141 1 324 . 1 . 1 84 84 THR H H 1 8.629 0.02 . 1 . . . . . 84 THR H . 50141 1 325 . 1 . 1 84 84 THR C C 13 176.387 0.20 . 1 . . . . . 84 THR C . 50141 1 326 . 1 . 1 84 84 THR CA C 13 63.200 0.200 . 1 . . . . . 84 THR CA . 50141 1 327 . 1 . 1 84 84 THR CB C 13 69.000 0.200 . 1 . . . . . 84 THR CB . 50141 1 328 . 1 . 1 84 84 THR N N 15 121.328 0.20 . 1 . . . . . 84 THR N . 50141 1 329 . 1 . 1 85 85 LYS H H 1 7.736 0.02 . 1 . . . . . 85 LYS H . 50141 1 330 . 1 . 1 85 85 LYS C C 13 177.559 0.20 . 1 . . . . . 85 LYS C . 50141 1 331 . 1 . 1 85 85 LYS CA C 13 54.500 0.200 . 1 . . . . . 85 LYS CA . 50141 1 332 . 1 . 1 85 85 LYS CB C 13 32.800 0.200 . 1 . . . . . 85 LYS CB . 50141 1 333 . 1 . 1 85 85 LYS CE C 13 42.100 0.200 . 1 . . . . . 85 LYS CE . 50141 1 334 . 1 . 1 85 85 LYS N N 15 127.582 0.20 . 1 . . . . . 85 LYS N . 50141 1 335 . 1 . 1 86 86 VAL H H 1 8.352 0.02 . 1 . . . . . 86 VAL H . 50141 1 336 . 1 . 1 86 86 VAL C C 13 178.226 0.20 . 1 . . . . . 86 VAL C . 50141 1 337 . 1 . 1 86 86 VAL CA C 13 61.000 0.200 . 1 . . . . . 86 VAL CA . 50141 1 338 . 1 . 1 86 86 VAL CB C 13 31.100 0.200 . 1 . . . . . 86 VAL CB . 50141 1 339 . 1 . 1 86 86 VAL N N 15 124.199 0.20 . 1 . . . . . 86 VAL N . 50141 1 340 . 1 . 1 87 87 ILE H H 1 9.173 0.02 . 1 . . . . . 87 ILE H . 50141 1 341 . 1 . 1 87 87 ILE C C 13 176.594 0.20 . 1 . . . . . 87 ILE C . 50141 1 342 . 1 . 1 87 87 ILE CA C 13 59.300 0.200 . 1 . . . . . 87 ILE CA . 50141 1 343 . 1 . 1 87 87 ILE CB C 13 38.900 0.200 . 1 . . . . . 87 ILE CB . 50141 1 344 . 1 . 1 87 87 ILE N N 15 131.117 0.20 . 1 . . . . . 87 ILE N . 50141 1 345 . 1 . 1 88 88 VAL H H 1 8.362 0.02 . 1 . . . . . 88 VAL H . 50141 1 346 . 1 . 1 88 88 VAL C C 13 179.455 0.20 . 1 . . . . . 88 VAL C . 50141 1 347 . 1 . 1 88 88 VAL CA C 13 60.300 0.200 . 1 . . . . . 88 VAL CA . 50141 1 348 . 1 . 1 88 88 VAL CB C 13 31.300 0.200 . 1 . . . . . 88 VAL CB . 50141 1 349 . 1 . 1 88 88 VAL N N 15 126.301 0.20 . 1 . . . . . 88 VAL N . 50141 1 350 . 1 . 1 89 89 ARG H H 1 9.006 0.02 . 1 . . . . . 89 ARG H . 50141 1 351 . 1 . 1 89 89 ARG C C 13 178.437 0.20 . 1 . . . . . 89 ARG C . 50141 1 352 . 1 . 1 89 89 ARG CA C 13 53.900 0.200 . 1 . . . . . 89 ARG CA . 50141 1 353 . 1 . 1 89 89 ARG CB C 13 31.300 0.200 . 1 . . . . . 89 ARG CB . 50141 1 354 . 1 . 1 89 89 ARG CD C 13 43.300 0.200 . 1 . . . . . 89 ARG CD . 50141 1 355 . 1 . 1 89 89 ARG N N 15 127.215 0.20 . 1 . . . . . 89 ARG N . 50141 1 356 . 1 . 1 90 90 ASN H H 1 8.802 0.02 . 1 . . . . . 90 ASN H . 50141 1 357 . 1 . 1 90 90 ASN CA C 13 51.000 0.200 . 1 . . . . . 90 ASN CA . 50141 1 358 . 1 . 1 90 90 ASN CB C 13 37.500 0.200 . 1 . . . . . 90 ASN CB . 50141 1 359 . 1 . 1 90 90 ASN N N 15 121.792 0.20 . 1 . . . . . 90 ASN N . 50141 1 360 . 1 . 1 91 91 PRO C C 13 179.494 0.20 . 1 . . . . . 91 PRO C . 50141 1 361 . 1 . 1 91 91 PRO CA C 13 62.700 0.200 . 1 . . . . . 91 PRO CA . 50141 1 362 . 1 . 1 91 91 PRO CB C 13 31.100 0.200 . 1 . . . . . 91 PRO CB . 50141 1 363 . 1 . 1 92 92 THR H H 1 8.160 0.02 . 1 . . . . . 92 THR H . 50141 1 364 . 1 . 1 92 92 THR C C 13 177.193 0.20 . 1 . . . . . 92 THR C . 50141 1 365 . 1 . 1 92 92 THR CA C 13 61.500 0.200 . 1 . . . . . 92 THR CA . 50141 1 366 . 1 . 1 92 92 THR CB C 13 69.400 0.200 . 1 . . . . . 92 THR CB . 50141 1 367 . 1 . 1 92 92 THR N N 15 115.394 0.20 . 1 . . . . . 92 THR N . 50141 1 368 . 1 . 1 93 93 PHE H H 1 8.211 0.02 . 1 . . . . . 93 PHE H . 50141 1 369 . 1 . 1 93 93 PHE C C 13 178.493 0.20 . 1 . . . . . 93 PHE C . 50141 1 370 . 1 . 1 93 93 PHE CA C 13 57.200 0.200 . 1 . . . . . 93 PHE CA . 50141 1 371 . 1 . 1 93 93 PHE CB C 13 38.900 0.200 . 1 . . . . . 93 PHE CB . 50141 1 372 . 1 . 1 93 93 PHE N N 15 123.096 0.20 . 1 . . . . . 93 PHE N . 50141 1 373 . 1 . 1 94 94 LYS H H 1 8.298 0.02 . 1 . . . . . 94 LYS H . 50141 1 374 . 1 . 1 94 94 LYS CB C 13 31.900 0.200 . 1 . . . . . 94 LYS CB . 50141 1 375 . 1 . 1 94 94 LYS CE C 13 42.100 0.200 . 1 . . . . . 94 LYS CE . 50141 1 376 . 1 . 1 94 94 LYS N N 15 124.480 0.20 . 1 . . . . . 94 LYS N . 50141 1 377 . 1 . 1 95 95 GLY C C 13 180.068 0.20 . 1 . . . . . 95 GLY C . 50141 1 378 . 1 . 1 96 96 GLY H H 1 8.449 0.02 . 1 . . . . . 96 GLY H . 50141 1 379 . 1 . 1 96 96 GLY C C 13 177.253 0.20 . 1 . . . . . 96 GLY C . 50141 1 380 . 1 . 1 96 96 GLY CA C 13 44.900 0.200 . 1 . . . . . 96 GLY CA . 50141 1 381 . 1 . 1 96 96 GLY N N 15 108.858 0.20 . 1 . . . . . 96 GLY N . 50141 1 382 . 1 . 1 97 97 SER H H 1 8.208 0.02 . 1 . . . . . 97 SER H . 50141 1 383 . 1 . 1 97 97 SER C C 13 177.729 0.20 . 1 . . . . . 97 SER C . 50141 1 384 . 1 . 1 97 97 SER CA C 13 57.800 0.200 . 1 . . . . . 97 SER CA . 50141 1 385 . 1 . 1 97 97 SER CB C 13 63.200 0.200 . 1 . . . . . 97 SER CB . 50141 1 386 . 1 . 1 97 97 SER N N 15 116.180 0.20 . 1 . . . . . 97 SER N . 50141 1 387 . 1 . 1 98 98 TYR H H 1 8.258 0.02 . 1 . . . . . 98 TYR H . 50141 1 388 . 1 . 1 98 98 TYR C C 13 179.378 0.20 . 1 . . . . . 98 TYR C . 50141 1 389 . 1 . 1 98 98 TYR CA C 13 58.600 0.200 . 1 . . . . . 98 TYR CA . 50141 1 390 . 1 . 1 98 98 TYR N N 15 123.010 0.20 . 1 . . . . . 98 TYR N . 50141 1 391 . 1 . 1 99 99 ARG H H 1 8.066 0.02 . 1 . . . . . 99 ARG H . 50141 1 392 . 1 . 1 99 99 ARG C C 13 179.462 0.20 . 1 . . . . . 99 ARG C . 50141 1 393 . 1 . 1 99 99 ARG CA C 13 56.700 0.200 . 1 . . . . . 99 ARG CA . 50141 1 394 . 1 . 1 99 99 ARG CB C 13 29.300 0.200 . 1 . . . . . 99 ARG CB . 50141 1 395 . 1 . 1 99 99 ARG CD C 13 43.300 0.200 . 1 . . . . . 99 ARG CD . 50141 1 396 . 1 . 1 99 99 ARG N N 15 121.061 0.20 . 1 . . . . . 99 ARG N . 50141 1 397 . 1 . 1 100 100 ASN H H 1 8.021 0.02 . 1 . . . . . 100 ASN H . 50141 1 398 . 1 . 1 100 100 ASN C C 13 178.465 0.20 . 1 . . . . . 100 ASN C . 50141 1 399 . 1 . 1 100 100 ASN CA C 13 53.200 0.200 . 1 . . . . . 100 ASN CA . 50141 1 400 . 1 . 1 100 100 ASN CB C 13 37.800 0.200 . 1 . . . . . 100 ASN CB . 50141 1 401 . 1 . 1 100 100 ASN N N 15 118.405 0.20 . 1 . . . . . 100 ASN N . 50141 1 402 . 1 . 1 101 101 ARG H H 1 8.023 0.02 . 1 . . . . . 101 ARG H . 50141 1 403 . 1 . 1 101 101 ARG C C 13 179.931 0.20 . 1 . . . . . 101 ARG C . 50141 1 404 . 1 . 1 101 101 ARG CA C 13 54.300 0.200 . 1 . . . . . 101 ARG CA . 50141 1 405 . 1 . 1 101 101 ARG CB C 13 29.400 0.200 . 1 . . . . . 101 ARG CB . 50141 1 406 . 1 . 1 101 101 ARG CD C 13 43.300 0.200 . 1 . . . . . 101 ARG CD . 50141 1 407 . 1 . 1 101 101 ARG N N 15 121.447 0.20 . 1 . . . . . 101 ARG N . 50141 1 408 . 1 . 1 102 102 LYS H H 1 8.141 0.02 . 1 . . . . . 102 LYS H . 50141 1 409 . 1 . 1 102 102 LYS CA C 13 57.200 0.200 . 1 . . . . . 102 LYS CA . 50141 1 410 . 1 . 1 102 102 LYS CE C 13 42.100 0.200 . 1 . . . . . 102 LYS CE . 50141 1 411 . 1 . 1 102 102 LYS N N 15 121.774 0.20 . 1 . . . . . 102 LYS N . 50141 1 412 . 1 . 1 103 103 LYS H H 1 7.682 0.02 . 1 . . . . . 103 LYS H . 50141 1 413 . 1 . 1 103 103 LYS C C 13 179.586 0.20 . 1 . . . . . 103 LYS C . 50141 1 414 . 1 . 1 103 103 LYS CA C 13 55.800 0.200 . 1 . . . . . 103 LYS CA . 50141 1 415 . 1 . 1 103 103 LYS CB C 13 31.900 0.200 . 1 . . . . . 103 LYS CB . 50141 1 416 . 1 . 1 103 103 LYS CE C 13 42.100 0.200 . 1 . . . . . 103 LYS CE . 50141 1 417 . 1 . 1 103 103 LYS N N 15 118.422 0.20 . 1 . . . . . 103 LYS N . 50141 1 418 . 1 . 1 104 104 GLN H H 1 7.804 0.02 . 1 . . . . . 104 GLN H . 50141 1 419 . 1 . 1 104 104 GLN C C 13 177.500 0.20 . 1 . . . . . 104 GLN C . 50141 1 420 . 1 . 1 104 104 GLN N N 15 109.693 0.20 . 1 . . . . . 104 GLN N . 50141 1 421 . 1 . 1 105 105 SER H H 1 7.096 0.02 . 1 . . . . . 105 SER H . 50141 1 422 . 1 . 1 105 105 SER C C 13 179.549 0.20 . 1 . . . . . 105 SER C . 50141 1 423 . 1 . 1 105 105 SER CA C 13 56.600 0.200 . 1 . . . . . 105 SER CA . 50141 1 424 . 1 . 1 105 105 SER N N 15 116.554 0.20 . 1 . . . . . 105 SER N . 50141 1 425 . 1 . 1 106 106 ILE H H 1 7.677 0.02 . 1 . . . . . 106 ILE H . 50141 1 426 . 1 . 1 106 106 ILE C C 13 176.660 0.20 . 1 . . . . . 106 ILE C . 50141 1 427 . 1 . 1 106 106 ILE CA C 13 61.100 0.200 . 1 . . . . . 106 ILE CA . 50141 1 428 . 1 . 1 106 106 ILE CB C 13 37.800 0.200 . 1 . . . . . 106 ILE CB . 50141 1 429 . 1 . 1 106 106 ILE N N 15 118.674 0.20 . 1 . . . . . 106 ILE N . 50141 1 430 . 1 . 1 107 107 ASP H H 1 8.842 0.02 . 1 . . . . . 107 ASP H . 50141 1 431 . 1 . 1 107 107 ASP C C 13 176.297 0.20 . 1 . . . . . 107 ASP C . 50141 1 432 . 1 . 1 107 107 ASP CA C 13 59.900 0.200 . 1 . . . . . 107 ASP CA . 50141 1 433 . 1 . 1 107 107 ASP N N 15 128.496 0.20 . 1 . . . . . 107 ASP N . 50141 1 434 . 1 . 1 108 108 VAL H H 1 8.967 0.02 . 1 . . . . . 108 VAL H . 50141 1 435 . 1 . 1 108 108 VAL CA C 13 58.000 0.200 . 1 . . . . . 108 VAL CA . 50141 1 436 . 1 . 1 108 108 VAL N N 15 126.349 0.20 . 1 . . . . . 108 VAL N . 50141 1 437 . 1 . 1 109 109 PHE H H 1 8.296 0.02 . 1 . . . . . 109 PHE H . 50141 1 438 . 1 . 1 109 109 PHE C C 13 180.225 0.20 . 1 . . . . . 109 PHE C . 50141 1 439 . 1 . 1 109 109 PHE N N 15 117.723 0.20 . 1 . . . . . 109 PHE N . 50141 1 440 . 1 . 1 110 110 ILE H H 1 7.310 0.02 . 1 . . . . . 110 ILE H . 50141 1 441 . 1 . 1 110 110 ILE C C 13 180.840 0.20 . 1 . . . . . 110 ILE C . 50141 1 442 . 1 . 1 110 110 ILE CA C 13 60.700 0.200 . 1 . . . . . 110 ILE CA . 50141 1 443 . 1 . 1 110 110 ILE CB C 13 37.800 0.200 . 1 . . . . . 110 ILE CB . 50141 1 444 . 1 . 1 110 110 ILE N N 15 121.319 0.20 . 1 . . . . . 110 ILE N . 50141 1 445 . 1 . 1 111 111 GLN H H 1 7.867 0.02 . 1 . . . . . 111 GLN H . 50141 1 446 . 1 . 1 111 111 GLN C C 13 181.795 0.20 . 1 . . . . . 111 GLN C . 50141 1 447 . 1 . 1 111 111 GLN CA C 13 58.400 0.200 . 1 . . . . . 111 GLN CA . 50141 1 448 . 1 . 1 111 111 GLN CB C 13 29.200 0.200 . 1 . . . . . 111 GLN CB . 50141 1 449 . 1 . 1 111 111 GLN N N 15 119.082 0.20 . 1 . . . . . 111 GLN N . 50141 1 450 . 1 . 1 112 112 LYS H H 1 8.372 0.02 . 1 . . . . . 112 LYS H . 50141 1 451 . 1 . 1 112 112 LYS C C 13 181.303 0.20 . 1 . . . . . 112 LYS C . 50141 1 452 . 1 . 1 112 112 LYS CA C 13 57.200 0.200 . 1 . . . . . 112 LYS CA . 50141 1 453 . 1 . 1 112 112 LYS CE C 13 42.100 0.200 . 1 . . . . . 112 LYS CE . 50141 1 454 . 1 . 1 112 112 LYS N N 15 120.312 0.20 . 1 . . . . . 112 LYS N . 50141 1 455 . 1 . 1 113 113 ILE H H 1 8.269 0.02 . 1 . . . . . 113 ILE H . 50141 1 456 . 1 . 1 113 113 ILE C C 13 182.332 0.20 . 1 . . . . . 113 ILE C . 50141 1 457 . 1 . 1 113 113 ILE N N 15 115.592 0.20 . 1 . . . . . 113 ILE N . 50141 1 458 . 1 . 1 114 114 SER H H 1 7.542 0.02 . 1 . . . . . 114 SER H . 50141 1 459 . 1 . 1 114 114 SER C C 13 179.726 0.20 . 1 . . . . . 114 SER C . 50141 1 460 . 1 . 1 114 114 SER CA C 13 63.900 0.200 . 1 . . . . . 114 SER CA . 50141 1 461 . 1 . 1 114 114 SER N N 15 109.206 0.20 . 1 . . . . . 114 SER N . 50141 1 462 . 1 . 1 115 115 GLU H H 1 7.296 0.02 . 1 . . . . . 115 GLU H . 50141 1 463 . 1 . 1 115 115 GLU CA C 13 58.900 0.200 . 1 . . . . . 115 GLU CA . 50141 1 464 . 1 . 1 115 115 GLU CB C 13 29.000 0.200 . 1 . . . . . 115 GLU CB . 50141 1 465 . 1 . 1 115 115 GLU N N 15 122.987 0.20 . 1 . . . . . 115 GLU N . 50141 1 466 . 1 . 1 116 116 TYR H H 1 8.208 0.02 . 1 . . . . . 116 TYR H . 50141 1 467 . 1 . 1 116 116 TYR C C 13 177.384 0.20 . 1 . . . . . 116 TYR C . 50141 1 468 . 1 . 1 116 116 TYR CA C 13 56.600 0.200 . 1 . . . . . 116 TYR CA . 50141 1 469 . 1 . 1 116 116 TYR N N 15 120.417 0.20 . 1 . . . . . 116 TYR N . 50141 1 470 . 1 . 1 117 117 THR H H 1 8.079 0.02 . 1 . . . . . 117 THR H . 50141 1 471 . 1 . 1 117 117 THR CA C 13 63.000 0.200 . 1 . . . . . 117 THR CA . 50141 1 472 . 1 . 1 117 117 THR N N 15 116.177 0.20 . 1 . . . . . 117 THR N . 50141 1 473 . 1 . 1 118 118 ASP CA C 13 58.100 0.200 . 1 . . . . . 118 ASP CA . 50141 1 474 . 1 . 1 119 119 TYR H H 1 8.578 0.02 . 1 . . . . . 119 TYR H . 50141 1 475 . 1 . 1 119 119 TYR C C 13 177.914 0.20 . 1 . . . . . 119 TYR C . 50141 1 476 . 1 . 1 119 119 TYR CA C 13 52.700 0.200 . 1 . . . . . 119 TYR CA . 50141 1 477 . 1 . 1 119 119 TYR N N 15 124.132 0.20 . 1 . . . . . 119 TYR N . 50141 1 478 . 1 . 1 120 120 LYS H H 1 8.757 0.02 . 1 . . . . . 120 LYS H . 50141 1 479 . 1 . 1 120 120 LYS CA C 13 54.700 0.200 . 1 . . . . . 120 LYS CA . 50141 1 480 . 1 . 1 120 120 LYS CB C 13 32.300 0.200 . 1 . . . . . 120 LYS CB . 50141 1 481 . 1 . 1 120 120 LYS CE C 13 42.100 0.200 . 1 . . . . . 120 LYS CE . 50141 1 482 . 1 . 1 120 120 LYS N N 15 120.685 0.20 . 1 . . . . . 120 LYS N . 50141 1 483 . 1 . 1 121 121 ASN H H 1 8.168 0.02 . 1 . . . . . 121 ASN H . 50141 1 484 . 1 . 1 121 121 ASN N N 15 124.054 0.20 . 1 . . . . . 121 ASN N . 50141 1 485 . 1 . 1 122 122 ASP C C 13 177.727 0.20 . 1 . . . . . 122 ASP C . 50141 1 486 . 1 . 1 122 122 ASP CA C 13 49.500 0.200 . 1 . . . . . 122 ASP CA . 50141 1 487 . 1 . 1 123 123 ILE H H 1 8.635 0.02 . 1 . . . . . 123 ILE H . 50141 1 488 . 1 . 1 123 123 ILE C C 13 178.090 0.20 . 1 . . . . . 123 ILE C . 50141 1 489 . 1 . 1 123 123 ILE CA C 13 57.200 0.200 . 1 . . . . . 123 ILE CA . 50141 1 490 . 1 . 1 123 123 ILE CB C 13 36.200 0.200 . 1 . . . . . 123 ILE CB . 50141 1 491 . 1 . 1 123 123 ILE N N 15 120.586 0.20 . 1 . . . . . 123 ILE N . 50141 1 492 . 1 . 1 124 124 LEU H H 1 9.588 0.02 . 1 . . . . . 124 LEU H . 50141 1 493 . 1 . 1 124 124 LEU C C 13 177.614 0.20 . 1 . . . . . 124 LEU C . 50141 1 494 . 1 . 1 124 124 LEU CA C 13 55.500 0.200 . 1 . . . . . 124 LEU CA . 50141 1 495 . 1 . 1 124 124 LEU CB C 13 42.500 0.200 . 1 . . . . . 124 LEU CB . 50141 1 496 . 1 . 1 124 124 LEU N N 15 124.455 0.20 . 1 . . . . . 124 LEU N . 50141 1 497 . 1 . 1 125 125 ASN H H 1 9.547 0.02 . 1 . . . . . 125 ASN H . 50141 1 498 . 1 . 1 125 125 ASN CA C 13 52.000 0.200 . 1 . . . . . 125 ASN CA . 50141 1 499 . 1 . 1 125 125 ASN CB C 13 37.500 0.200 . 1 . . . . . 125 ASN CB . 50141 1 500 . 1 . 1 125 125 ASN N N 15 120.103 0.20 . 1 . . . . . 125 ASN N . 50141 1 501 . 1 . 1 126 126 LYS H H 1 7.607 0.02 . 1 . . . . . 126 LYS H . 50141 1 502 . 1 . 1 126 126 LYS CA C 13 54.700 0.200 . 1 . . . . . 126 LYS CA . 50141 1 503 . 1 . 1 126 126 LYS CE C 13 42.100 0.200 . 1 . . . . . 126 LYS CE . 50141 1 504 . 1 . 1 126 126 LYS N N 15 112.931 0.20 . 1 . . . . . 126 LYS N . 50141 1 505 . 1 . 1 127 127 TYR H H 1 8.458 0.02 . 1 . . . . . 127 TYR H . 50141 1 506 . 1 . 1 127 127 TYR CA C 13 56.100 0.200 . 1 . . . . . 127 TYR CA . 50141 1 507 . 1 . 1 127 127 TYR N N 15 123.850 0.20 . 1 . . . . . 127 TYR N . 50141 1 508 . 1 . 1 128 128 THR CA C 13 63.000 0.200 . 1 . . . . . 128 THR CA . 50141 1 509 . 1 . 1 129 129 LYS C C 13 178.676 0.20 . 1 . . . . . 129 LYS C . 50141 1 510 . 1 . 1 129 129 LYS CA C 13 62.400 0.200 . 1 . . . . . 129 LYS CA . 50141 1 511 . 1 . 1 129 129 LYS CE C 13 42.100 0.200 . 1 . . . . . 129 LYS CE . 50141 1 512 . 1 . 1 130 130 LEU H H 1 9.110 0.02 . 1 . . . . . 130 LEU H . 50141 1 513 . 1 . 1 130 130 LEU C C 13 181.294 0.20 . 1 . . . . . 130 LEU C . 50141 1 514 . 1 . 1 130 130 LEU CB C 13 42.800 0.200 . 1 . . . . . 130 LEU CB . 50141 1 515 . 1 . 1 130 130 LEU N N 15 120.225 0.20 . 1 . . . . . 130 LEU N . 50141 1 516 . 1 . 1 131 131 ASP H H 1 7.751 0.02 . 1 . . . . . 131 ASP H . 50141 1 517 . 1 . 1 131 131 ASP C C 13 180.070 0.20 . 1 . . . . . 131 ASP C . 50141 1 518 . 1 . 1 131 131 ASP CB C 13 39.700 0.200 . 1 . . . . . 131 ASP CB . 50141 1 519 . 1 . 1 131 131 ASP N N 15 119.471 0.20 . 1 . . . . . 131 ASP N . 50141 1 520 . 1 . 1 132 132 ASP H H 1 7.917 0.02 . 1 . . . . . 132 ASP H . 50141 1 521 . 1 . 1 132 132 ASP C C 13 177.974 0.20 . 1 . . . . . 132 ASP C . 50141 1 522 . 1 . 1 132 132 ASP CA C 13 55.600 0.200 . 1 . . . . . 132 ASP CA . 50141 1 523 . 1 . 1 132 132 ASP CB C 13 39.800 0.200 . 1 . . . . . 132 ASP CB . 50141 1 524 . 1 . 1 132 132 ASP N N 15 117.380 0.20 . 1 . . . . . 132 ASP N . 50141 1 525 . 1 . 1 133 133 ILE H H 1 7.677 0.02 . 1 . . . . . 133 ILE H . 50141 1 526 . 1 . 1 133 133 ILE C C 13 179.938 0.20 . 1 . . . . . 133 ILE C . 50141 1 527 . 1 . 1 133 133 ILE CA C 13 60.800 0.200 . 1 . . . . . 133 ILE CA . 50141 1 528 . 1 . 1 133 133 ILE N N 15 119.857 0.20 . 1 . . . . . 133 ILE N . 50141 1 529 . 1 . 1 134 134 ALA H H 1 7.575 0.02 . 1 . . . . . 134 ALA H . 50141 1 530 . 1 . 1 134 134 ALA C C 13 181.614 0.20 . 1 . . . . . 134 ALA C . 50141 1 531 . 1 . 1 134 134 ALA CA C 13 55.300 0.200 . 1 . . . . . 134 ALA CA . 50141 1 532 . 1 . 1 134 134 ALA N N 15 124.611 0.20 . 1 . . . . . 134 ALA N . 50141 1 533 . 1 . 1 135 135 ASN H H 1 8.432 0.02 . 1 . . . . . 135 ASN H . 50141 1 534 . 1 . 1 135 135 ASN C C 13 181.032 0.20 . 1 . . . . . 135 ASN C . 50141 1 535 . 1 . 1 135 135 ASN CA C 13 55.900 0.200 . 1 . . . . . 135 ASN CA . 50141 1 536 . 1 . 1 135 135 ASN N N 15 115.741 0.20 . 1 . . . . . 135 ASN N . 50141 1 537 . 1 . 1 136 136 SER H H 1 8.384 0.02 . 1 . . . . . 136 SER H . 50141 1 538 . 1 . 1 136 136 SER N N 15 116.702 0.20 . 1 . . . . . 136 SER N . 50141 1 539 . 1 . 1 137 137 PHE H H 1 7.196 0.02 . 1 . . . . . 137 PHE H . 50141 1 540 . 1 . 1 137 137 PHE C C 13 178.882 0.20 . 1 . . . . . 137 PHE C . 50141 1 541 . 1 . 1 137 137 PHE CA C 13 60.600 0.200 . 1 . . . . . 137 PHE CA . 50141 1 542 . 1 . 1 137 137 PHE N N 15 125.518 0.20 . 1 . . . . . 137 PHE N . 50141 1 543 . 1 . 1 138 138 ASN H H 1 8.591 0.02 . 1 . . . . . 138 ASN H . 50141 1 544 . 1 . 1 138 138 ASN C C 13 181.258 0.20 . 1 . . . . . 138 ASN C . 50141 1 545 . 1 . 1 138 138 ASN CA C 13 55.600 0.200 . 1 . . . . . 138 ASN CA . 50141 1 546 . 1 . 1 138 138 ASN CB C 13 37.600 0.200 . 1 . . . . . 138 ASN CB . 50141 1 547 . 1 . 1 138 138 ASN N N 15 119.137 0.20 . 1 . . . . . 138 ASN N . 50141 1 548 . 1 . 1 139 139 LEU H H 1 8.525 0.02 . 1 . . . . . 139 LEU H . 50141 1 549 . 1 . 1 139 139 LEU CA C 13 57.500 0.200 . 1 . . . . . 139 LEU CA . 50141 1 550 . 1 . 1 139 139 LEU N N 15 122.389 0.20 . 1 . . . . . 139 LEU N . 50141 1 551 . 1 . 1 140 140 GLY H H 1 7.131 0.02 . 1 . . . . . 140 GLY H . 50141 1 552 . 1 . 1 140 140 GLY C C 13 177.699 0.20 . 1 . . . . . 140 GLY C . 50141 1 553 . 1 . 1 140 140 GLY CA C 13 46.600 0.200 . 1 . . . . . 140 GLY CA . 50141 1 554 . 1 . 1 140 140 GLY N N 15 106.097 0.20 . 1 . . . . . 140 GLY N . 50141 1 555 . 1 . 1 141 141 LEU H H 1 7.851 0.02 . 1 . . . . . 141 LEU H . 50141 1 556 . 1 . 1 141 141 LEU C C 13 181.755 0.20 . 1 . . . . . 141 LEU C . 50141 1 557 . 1 . 1 141 141 LEU CA C 13 57.600 0.200 . 1 . . . . . 141 LEU CA . 50141 1 558 . 1 . 1 141 141 LEU N N 15 122.681 0.20 . 1 . . . . . 141 LEU N . 50141 1 559 . 1 . 1 142 142 SER H H 1 8.009 0.02 . 1 . . . . . 142 SER H . 50141 1 560 . 1 . 1 142 142 SER C C 13 177.425 0.20 . 1 . . . . . 142 SER C . 50141 1 561 . 1 . 1 142 142 SER CA C 13 60.800 0.200 . 1 . . . . . 142 SER CA . 50141 1 562 . 1 . 1 142 142 SER N N 15 113.237 0.20 . 1 . . . . . 142 SER N . 50141 1 563 . 1 . 1 143 143 TYR H H 1 8.184 0.02 . 1 . . . . . 143 TYR H . 50141 1 564 . 1 . 1 143 143 TYR C C 13 178.465 0.20 . 1 . . . . . 143 TYR C . 50141 1 565 . 1 . 1 143 143 TYR CA C 13 55.200 0.200 . 1 . . . . . 143 TYR CA . 50141 1 566 . 1 . 1 143 143 TYR CB C 13 37.800 0.200 . 1 . . . . . 143 TYR CB . 50141 1 567 . 1 . 1 143 143 TYR N N 15 108.882 0.20 . 1 . . . . . 143 TYR N . 50141 1 568 . 1 . 1 144 144 MET H H 1 8.008 0.02 . 1 . . . . . 144 MET H . 50141 1 569 . 1 . 1 144 144 MET C C 13 181.082 0.20 . 1 . . . . . 144 MET C . 50141 1 570 . 1 . 1 144 144 MET CA C 13 50.500 0.200 . 1 . . . . . 144 MET CA . 50141 1 571 . 1 . 1 144 144 MET N N 15 121.615 0.20 . 1 . . . . . 144 MET N . 50141 1 572 . 1 . 1 145 145 GLU H H 1 8.132 0.02 . 1 . . . . . 145 GLU H . 50141 1 573 . 1 . 1 145 145 GLU C C 13 181.435 0.20 . 1 . . . . . 145 GLU C . 50141 1 574 . 1 . 1 145 145 GLU CA C 13 58.900 0.200 . 1 . . . . . 145 GLU CA . 50141 1 575 . 1 . 1 145 145 GLU CB C 13 28.400 0.200 . 1 . . . . . 145 GLU CB . 50141 1 576 . 1 . 1 145 145 GLU N N 15 118.306 0.20 . 1 . . . . . 145 GLU N . 50141 1 577 . 1 . 1 146 146 SER H H 1 7.254 0.02 . 1 . . . . . 146 SER H . 50141 1 578 . 1 . 1 146 146 SER C C 13 177.821 0.20 . 1 . . . . . 146 SER C . 50141 1 579 . 1 . 1 146 146 SER CA C 13 59.900 0.200 . 1 . . . . . 146 SER CA . 50141 1 580 . 1 . 1 146 146 SER CB C 13 62.700 0.200 . 1 . . . . . 146 SER CB . 50141 1 581 . 1 . 1 146 146 SER N N 15 114.188 0.20 . 1 . . . . . 146 SER N . 50141 1 582 . 1 . 1 147 147 LEU H H 1 7.044 0.02 . 1 . . . . . 147 LEU H . 50141 1 583 . 1 . 1 147 147 LEU C C 13 180.706 0.20 . 1 . . . . . 147 LEU C . 50141 1 584 . 1 . 1 147 147 LEU CA C 13 58.300 0.200 . 1 . . . . . 147 LEU CA . 50141 1 585 . 1 . 1 147 147 LEU N N 15 121.902 0.20 . 1 . . . . . 147 LEU N . 50141 1 586 . 1 . 1 148 148 LEU H H 1 7.062 0.02 . 1 . . . . . 148 LEU H . 50141 1 587 . 1 . 1 148 148 LEU C C 13 180.048 0.20 . 1 . . . . . 148 LEU C . 50141 1 588 . 1 . 1 148 148 LEU CA C 13 54.900 0.200 . 1 . . . . . 148 LEU CA . 50141 1 589 . 1 . 1 148 148 LEU CB C 13 41.400 0.200 . 1 . . . . . 148 LEU CB . 50141 1 590 . 1 . 1 148 148 LEU N N 15 118.627 0.20 . 1 . . . . . 148 LEU N . 50141 1 591 . 1 . 1 149 149 LYS H H 1 7.787 0.02 . 1 . . . . . 149 LYS H . 50141 1 592 . 1 . 1 149 149 LYS C C 13 178.366 0.20 . 1 . . . . . 149 LYS C . 50141 1 593 . 1 . 1 149 149 LYS CA C 13 55.900 0.200 . 1 . . . . . 149 LYS CA . 50141 1 594 . 1 . 1 149 149 LYS CB C 13 31.600 0.200 . 1 . . . . . 149 LYS CB . 50141 1 595 . 1 . 1 149 149 LYS CE C 13 42.100 0.200 . 1 . . . . . 149 LYS CE . 50141 1 596 . 1 . 1 149 149 LYS N N 15 122.084 0.20 . 1 . . . . . 149 LYS N . 50141 1 597 . 1 . 1 150 150 LYS H H 1 7.829 0.02 . 1 . . . . . 150 LYS H . 50141 1 598 . 1 . 1 150 150 LYS N N 15 128.796 0.20 . 1 . . . . . 150 LYS N . 50141 1 stop_ save_