data_53717 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53717 _Entry.Title ; Backbone chemical shift assignments for human ribonuclease 7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-11 _Entry.Accession_date 2026-04-11 _Entry.Last_release_date 2026-04-17 _Entry.Original_release_date 2026-04-17 _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 'Thi Thanh Quynh' Tran . . . 0000-0001-7227-9280 53717 2 Sacha Larda . T. . . 53717 3 Nicolas Doucet . . . 0000-0002-1952-9380 53717 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'INRS Armand-Frappier Sante Biotechnologie Research Centre' . 53717 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53717 spectral_peak_list 1 53717 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 53717 '15N chemical shifts' 111 53717 '1H chemical shifts' 111 53717 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 . . 2026-09-02 . original BMRB . 53717 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI 84659 . 53717 PDB 9CSM . 53717 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53717 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42203172 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Engineering human RNase 7 with an eosinophil RNase segment reveals determinants of cytotoxic and antimicrobial activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 302 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 113189 _Citation.Page_last 113189 _Citation.Year 2026 _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 'Thi Thanh Quynh' Tran . . . . 53717 1 2 Sacha Larda . T. . . 53717 1 3 Cecilia Nieves . . . . 53717 1 4 Frederic Veyrier . J. . . 53717 1 5 Charles Calmettes . . . . 53717 1 6 Nicolas Doucet . . . . 53717 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Antimicrobial peptides' 53717 1 Chimeragenesis 53717 1 Cytotoxicity 53717 1 'Eosinophil cationic protein' 53717 1 'Multifunctional enzymes' 53717 1 'RNase 3' 53717 1 'RNase 7' 53717 1 Ribonucleases 53717 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53717 _Assembly.ID 1 _Assembly.Name 'RNase 7 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds no _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 14630 _Assembly.Enzyme_commission_number EC:3.1.27.- _Assembly.Details 'Human ribonuclease 7 was crystallized in the presence of four zinc ions per molecule.' _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 'RNase 7 monomer' 1 $entity_1 . . yes native no no . . . 53717 1 2 'zinc ion, 1' 2 $entity_ZN . . no native no no . . . 53717 1 3 'zinc ion, 2' 2 $entity_ZN . . no native no no . . . 53717 1 4 'zinc ion, 3' 2 $entity_ZN . . no native no no . . . 53717 1 5 'zinc ion, 4' 2 $entity_ZN . . no native no no . . . 53717 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 9CSM . . X-ray 1.77 'same project' . 53717 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'No interaction' 53717 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Ribonuclease and antimicrobial activities' 53717 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53717 _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 ; KPKGMTSSQWFKIQHMQPSP QACNSAMKNINKHTKRCKDL NTFLHEPFSSVAATCQTPKI ACKNGDKNCHQSHGAVSLTM CKLTSGKHPNCRYKEKRQNK SYVVACKPPQKKDSQQFHLV PVHLDRVL ; _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 128 _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 EC:3.1.27.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14633.02 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 9CSM . 'Human ribonuclease 7 (RNase 7, HsR7)' . . . . . . . . . . . . . . 53717 1 2 yes NCBI 84659 . 'Ribonuclease A family member 7' . . . . . . . . . . . . . . 53717 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ribonuclease and antimicrobial activities' 53717 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 . LYS . 53717 1 2 . PRO . 53717 1 3 . LYS . 53717 1 4 . GLY . 53717 1 5 . MET . 53717 1 6 . THR . 53717 1 7 . SER . 53717 1 8 . SER . 53717 1 9 . GLN . 53717 1 10 . TRP . 53717 1 11 . PHE . 53717 1 12 . LYS . 53717 1 13 . ILE . 53717 1 14 . GLN . 53717 1 15 . HIS . 53717 1 16 . MET . 53717 1 17 . GLN . 53717 1 18 . PRO . 53717 1 19 . SER . 53717 1 20 . PRO . 53717 1 21 . GLN . 53717 1 22 . ALA . 53717 1 23 . CYS . 53717 1 24 . ASN . 53717 1 25 . SER . 53717 1 26 . ALA . 53717 1 27 . MET . 53717 1 28 . LYS . 53717 1 29 . ASN . 53717 1 30 . ILE . 53717 1 31 . ASN . 53717 1 32 . LYS . 53717 1 33 . HIS . 53717 1 34 . THR . 53717 1 35 . LYS . 53717 1 36 . ARG . 53717 1 37 . CYS . 53717 1 38 . LYS . 53717 1 39 . ASP . 53717 1 40 . LEU . 53717 1 41 . ASN . 53717 1 42 . THR . 53717 1 43 . PHE . 53717 1 44 . LEU . 53717 1 45 . HIS . 53717 1 46 . GLU . 53717 1 47 . PRO . 53717 1 48 . PHE . 53717 1 49 . SER . 53717 1 50 . SER . 53717 1 51 . VAL . 53717 1 52 . ALA . 53717 1 53 . ALA . 53717 1 54 . THR . 53717 1 55 . CYS . 53717 1 56 . GLN . 53717 1 57 . THR . 53717 1 58 . PRO . 53717 1 59 . LYS . 53717 1 60 . ILE . 53717 1 61 . ALA . 53717 1 62 . CYS . 53717 1 63 . LYS . 53717 1 64 . ASN . 53717 1 65 . GLY . 53717 1 66 . ASP . 53717 1 67 . LYS . 53717 1 68 . ASN . 53717 1 69 . CYS . 53717 1 70 . HIS . 53717 1 71 . GLN . 53717 1 72 . SER . 53717 1 73 . HIS . 53717 1 74 . GLY . 53717 1 75 . ALA . 53717 1 76 . VAL . 53717 1 77 . SER . 53717 1 78 . LEU . 53717 1 79 . THR . 53717 1 80 . MET . 53717 1 81 . CYS . 53717 1 82 . LYS . 53717 1 83 . LEU . 53717 1 84 . THR . 53717 1 85 . SER . 53717 1 86 . GLY . 53717 1 87 . LYS . 53717 1 88 . HIS . 53717 1 89 . PRO . 53717 1 90 . ASN . 53717 1 91 . CYS . 53717 1 92 . ARG . 53717 1 93 . TYR . 53717 1 94 . LYS . 53717 1 95 . GLU . 53717 1 96 . LYS . 53717 1 97 . ARG . 53717 1 98 . GLN . 53717 1 99 . ASN . 53717 1 100 . LYS . 53717 1 101 . SER . 53717 1 102 . TYR . 53717 1 103 . VAL . 53717 1 104 . VAL . 53717 1 105 . ALA . 53717 1 106 . CYS . 53717 1 107 . LYS . 53717 1 108 . PRO . 53717 1 109 . PRO . 53717 1 110 . GLN . 53717 1 111 . LYS . 53717 1 112 . LYS . 53717 1 113 . ASP . 53717 1 114 . SER . 53717 1 115 . GLN . 53717 1 116 . GLN . 53717 1 117 . PHE . 53717 1 118 . HIS . 53717 1 119 . LEU . 53717 1 120 . VAL . 53717 1 121 . PRO . 53717 1 122 . VAL . 53717 1 123 . HIS . 53717 1 124 . LEU . 53717 1 125 . ASP . 53717 1 126 . ARG . 53717 1 127 . VAL . 53717 1 128 . LEU . 53717 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 . LYS 1 1 53717 1 . PRO 2 2 53717 1 . LYS 3 3 53717 1 . GLY 4 4 53717 1 . MET 5 5 53717 1 . THR 6 6 53717 1 . SER 7 7 53717 1 . SER 8 8 53717 1 . GLN 9 9 53717 1 . TRP 10 10 53717 1 . PHE 11 11 53717 1 . LYS 12 12 53717 1 . ILE 13 13 53717 1 . GLN 14 14 53717 1 . HIS 15 15 53717 1 . MET 16 16 53717 1 . GLN 17 17 53717 1 . PRO 18 18 53717 1 . SER 19 19 53717 1 . PRO 20 20 53717 1 . GLN 21 21 53717 1 . ALA 22 22 53717 1 . CYS 23 23 53717 1 . ASN 24 24 53717 1 . SER 25 25 53717 1 . ALA 26 26 53717 1 . MET 27 27 53717 1 . LYS 28 28 53717 1 . ASN 29 29 53717 1 . ILE 30 30 53717 1 . ASN 31 31 53717 1 . LYS 32 32 53717 1 . HIS 33 33 53717 1 . THR 34 34 53717 1 . LYS 35 35 53717 1 . ARG 36 36 53717 1 . CYS 37 37 53717 1 . LYS 38 38 53717 1 . ASP 39 39 53717 1 . LEU 40 40 53717 1 . ASN 41 41 53717 1 . THR 42 42 53717 1 . PHE 43 43 53717 1 . LEU 44 44 53717 1 . HIS 45 45 53717 1 . GLU 46 46 53717 1 . PRO 47 47 53717 1 . PHE 48 48 53717 1 . SER 49 49 53717 1 . SER 50 50 53717 1 . VAL 51 51 53717 1 . ALA 52 52 53717 1 . ALA 53 53 53717 1 . THR 54 54 53717 1 . CYS 55 55 53717 1 . GLN 56 56 53717 1 . THR 57 57 53717 1 . PRO 58 58 53717 1 . LYS 59 59 53717 1 . ILE 60 60 53717 1 . ALA 61 61 53717 1 . CYS 62 62 53717 1 . LYS 63 63 53717 1 . ASN 64 64 53717 1 . GLY 65 65 53717 1 . ASP 66 66 53717 1 . LYS 67 67 53717 1 . ASN 68 68 53717 1 . CYS 69 69 53717 1 . HIS 70 70 53717 1 . GLN 71 71 53717 1 . SER 72 72 53717 1 . HIS 73 73 53717 1 . GLY 74 74 53717 1 . ALA 75 75 53717 1 . VAL 76 76 53717 1 . SER 77 77 53717 1 . LEU 78 78 53717 1 . THR 79 79 53717 1 . MET 80 80 53717 1 . CYS 81 81 53717 1 . LYS 82 82 53717 1 . LEU 83 83 53717 1 . THR 84 84 53717 1 . SER 85 85 53717 1 . GLY 86 86 53717 1 . LYS 87 87 53717 1 . HIS 88 88 53717 1 . PRO 89 89 53717 1 . ASN 90 90 53717 1 . CYS 91 91 53717 1 . ARG 92 92 53717 1 . TYR 93 93 53717 1 . LYS 94 94 53717 1 . GLU 95 95 53717 1 . LYS 96 96 53717 1 . ARG 97 97 53717 1 . GLN 98 98 53717 1 . ASN 99 99 53717 1 . LYS 100 100 53717 1 . SER 101 101 53717 1 . TYR 102 102 53717 1 . VAL 103 103 53717 1 . VAL 104 104 53717 1 . ALA 105 105 53717 1 . CYS 106 106 53717 1 . LYS 107 107 53717 1 . PRO 108 108 53717 1 . PRO 109 109 53717 1 . GLN 110 110 53717 1 . LYS 111 111 53717 1 . LYS 112 112 53717 1 . ASP 113 113 53717 1 . SER 114 114 53717 1 . GLN 115 115 53717 1 . GLN 116 116 53717 1 . PHE 117 117 53717 1 . HIS 118 118 53717 1 . LEU 119 119 53717 1 . VAL 120 120 53717 1 . PRO 121 121 53717 1 . VAL 122 122 53717 1 . HIS 123 123 53717 1 . LEU 124 124 53717 1 . ASP 125 125 53717 1 . ARG 126 126 53717 1 . VAL 127 127 53717 1 . LEU 128 128 53717 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 53717 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 53717 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 53717 2 ZN 'Three letter code' 53717 2 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 1 ZN $chem_comp_ZN 53717 2 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 53717 _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 . . . . . . . . . . . . . 53717 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 53717 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pJExpress414 . . . 53717 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 53717 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 53717 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 53717 ZN [Zn++] SMILES CACTVS 3.341 53717 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 53717 ZN [Zn+2] SMILES ACDLabs 10.04 53717 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 53717 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53717 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 53717 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53717 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 53717 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53717 _Sample.ID 1 _Sample.Name 'Human ribonuclease 7' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human ribonuclease 7' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 269 . . uM . . . . 53717 1 2 'sodium acetate' 'natural abundance' . . . . . . 15 . . mM . . . . 53717 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 53717 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_conditions_1 _Sample_condition_list.Details '15 mM sodium acetate pH 5.0, 10% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.015 . M 53717 1 pH 5.0 . pH 53717 1 pressure 1 . atm 53717 1 temperature 298 . K 53717 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53717 _Software.ID 1 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details 'NMRPipe v11.5, CcpNmr Analysis2.5.2' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53717 1 'peak picking' . 53717 1 processing . 53717 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 53717 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVIIIHD 800 MHz NMR Spectrometer' _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 53717 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53717 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53717 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53717 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 53717 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53717 1 H 1 DSS 'methyl protons' . . . . ppm 4.70 internal direct 1 . . . . . 53717 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53717 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 53717 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list_HsR7 _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' . . . 53717 1 2 '3D HNCACB' . . . 53717 1 3 '3D CBCA(CO)NH' . . . 53717 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 . . 53717 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 3 3 LYS CA C 13 58.05 0.30 . 1 . . . . . 3 LYS CA . 53717 1 2 . 1 . 1 3 3 LYS CB C 13 32.39 0.30 . 1 . . . . . 3 LYS CB . 53717 1 3 . 1 . 1 4 4 GLY H H 1 8.73 0.02 . 1 . . . . . 4 GLY H . 53717 1 4 . 1 . 1 4 4 GLY CA C 13 45.36 0.30 . 1 . . . . . 4 GLY CA . 53717 1 5 . 1 . 1 4 4 GLY N N 15 110.44 0.30 . 1 . . . . . 4 GLY N . 53717 1 6 . 1 . 1 5 5 MET H H 1 7.37 0.02 . 1 . . . . . 5 MET H . 53717 1 7 . 1 . 1 5 5 MET CA C 13 55.10 0.30 . 1 . . . . . 5 MET CA . 53717 1 8 . 1 . 1 5 5 MET CB C 13 35.30 0.30 . 1 . . . . . 5 MET CB . 53717 1 9 . 1 . 1 5 5 MET N N 15 118.98 0.30 . 1 . . . . . 5 MET N . 53717 1 10 . 1 . 1 6 6 THR H H 1 8.71 0.02 . 1 . . . . . 6 THR H . 53717 1 11 . 1 . 1 6 6 THR CA C 13 61.12 0.30 . 1 . . . . . 6 THR CA . 53717 1 12 . 1 . 1 6 6 THR CB C 13 69.53 0.30 . 1 . . . . . 6 THR CB . 53717 1 13 . 1 . 1 6 6 THR N N 15 114.95 0.30 . 1 . . . . . 6 THR N . 53717 1 14 . 1 . 1 7 7 SER H H 1 8.96 0.02 . 1 . . . . . 7 SER H . 53717 1 15 . 1 . 1 7 7 SER CA C 13 63.20 0.30 . 1 . . . . . 7 SER CA . 53717 1 16 . 1 . 1 7 7 SER CB C 13 62.42 0.30 . 1 . . . . . 7 SER CB . 53717 1 17 . 1 . 1 7 7 SER N N 15 117.89 0.30 . 1 . . . . . 7 SER N . 53717 1 18 . 1 . 1 8 8 SER H H 1 10.03 0.02 . 1 . . . . . 8 SER H . 53717 1 19 . 1 . 1 8 8 SER CA C 13 60.84 0.30 . 1 . . . . . 8 SER CA . 53717 1 20 . 1 . 1 8 8 SER CB C 13 63.30 0.30 . 1 . . . . . 8 SER CB . 53717 1 21 . 1 . 1 8 8 SER N N 15 119.47 0.30 . 1 . . . . . 8 SER N . 53717 1 22 . 1 . 1 9 9 GLN H H 1 8.27 0.02 . 1 . . . . . 9 GLN H . 53717 1 23 . 1 . 1 9 9 GLN CA C 13 59.37 0.30 . 1 . . . . . 9 GLN CA . 53717 1 24 . 1 . 1 9 9 GLN CB C 13 28.43 0.30 . 1 . . . . . 9 GLN CB . 53717 1 25 . 1 . 1 9 9 GLN N N 15 122.65 0.30 . 1 . . . . . 9 GLN N . 53717 1 26 . 1 . 1 10 10 TRP H H 1 8.41 0.02 . 1 . . . . . 10 TRP H . 53717 1 27 . 1 . 1 10 10 TRP HE1 H 1 10.07 0.02 . 1 . . . . . 10 TRP HE1 . 53717 1 28 . 1 . 1 10 10 TRP CA C 13 58.23 0.30 . 1 . . . . . 10 TRP CA . 53717 1 29 . 1 . 1 10 10 TRP CB C 13 31.68 0.30 . 1 . . . . . 10 TRP CB . 53717 1 30 . 1 . 1 10 10 TRP N N 15 120.59 0.30 . 1 . . . . . 10 TRP N . 53717 1 31 . 1 . 1 10 10 TRP NE1 N 15 129.76 0.30 . 1 . . . . . 10 TRP NE1 . 53717 1 32 . 1 . 1 11 11 PHE H H 1 8.42 0.02 . 1 . . . . . 11 PHE H . 53717 1 33 . 1 . 1 11 11 PHE CA C 13 62.31 0.30 . 1 . . . . . 11 PHE CA . 53717 1 34 . 1 . 1 11 11 PHE CB C 13 39.12 0.30 . 1 . . . . . 11 PHE CB . 53717 1 35 . 1 . 1 11 11 PHE N N 15 120.81 0.30 . 1 . . . . . 11 PHE N . 53717 1 36 . 1 . 1 12 12 LYS H H 1 8.11 0.02 . 1 . . . . . 12 LYS H . 53717 1 37 . 1 . 1 12 12 LYS CA C 13 60.69 0.30 . 1 . . . . . 12 LYS CA . 53717 1 38 . 1 . 1 12 12 LYS CB C 13 32.44 0.30 . 1 . . . . . 12 LYS CB . 53717 1 39 . 1 . 1 12 12 LYS N N 15 118.82 0.30 . 1 . . . . . 12 LYS N . 53717 1 40 . 1 . 1 13 13 ILE H H 1 7.90 0.02 . 1 . . . . . 13 ILE H . 53717 1 41 . 1 . 1 13 13 ILE CA C 13 64.35 0.30 . 1 . . . . . 13 ILE CA . 53717 1 42 . 1 . 1 13 13 ILE CB C 13 38.30 0.30 . 1 . . . . . 13 ILE CB . 53717 1 43 . 1 . 1 13 13 ILE N N 15 119.06 0.30 . 1 . . . . . 13 ILE N . 53717 1 44 . 1 . 1 14 14 GLN H H 1 7.50 0.02 . 1 . . . . . 14 GLN H . 53717 1 45 . 1 . 1 14 14 GLN CA C 13 58.29 0.30 . 1 . . . . . 14 GLN CA . 53717 1 46 . 1 . 1 14 14 GLN CB C 13 30.39 0.30 . 1 . . . . . 14 GLN CB . 53717 1 47 . 1 . 1 14 14 GLN N N 15 114.15 0.30 . 1 . . . . . 14 GLN N . 53717 1 48 . 1 . 1 15 15 HIS H H 1 7.48 0.02 . 1 . . . . . 15 HIS H . 53717 1 49 . 1 . 1 15 15 HIS CA C 13 55.24 0.30 . 1 . . . . . 15 HIS CA . 53717 1 50 . 1 . 1 15 15 HIS CB C 13 30.86 0.30 . 1 . . . . . 15 HIS CB . 53717 1 51 . 1 . 1 15 15 HIS N N 15 105.73 0.30 . 1 . . . . . 15 HIS N . 53717 1 52 . 1 . 1 16 16 MET H H 1 8.17 0.02 . 1 . . . . . 16 MET H . 53717 1 53 . 1 . 1 16 16 MET CA C 13 53.56 0.30 . 1 . . . . . 16 MET CA . 53717 1 54 . 1 . 1 16 16 MET CB C 13 29.34 0.30 . 1 . . . . . 16 MET CB . 53717 1 55 . 1 . 1 16 16 MET N N 15 116.92 0.30 . 1 . . . . . 16 MET N . 53717 1 56 . 1 . 1 17 17 GLN H H 1 8.56 0.02 . 1 . . . . . 17 GLN H . 53717 1 57 . 1 . 1 17 17 GLN CA C 13 53.46 0.30 . 1 . . . . . 17 GLN CA . 53717 1 58 . 1 . 1 17 17 GLN CB C 13 33.24 0.30 . 1 . . . . . 17 GLN CB . 53717 1 59 . 1 . 1 17 17 GLN N N 15 124.56 0.30 . 1 . . . . . 17 GLN N . 53717 1 60 . 1 . 1 18 18 PRO CA C 13 66.41 0.30 . 1 . . . . . 18 PRO CA . 53717 1 61 . 1 . 1 18 18 PRO CB C 13 31.88 0.30 . 1 . . . . . 18 PRO CB . 53717 1 62 . 1 . 1 19 19 SER H H 1 7.51 0.02 . 1 . . . . . 19 SER H . 53717 1 63 . 1 . 1 19 19 SER CA C 13 54.07 0.30 . 1 . . . . . 19 SER CA . 53717 1 64 . 1 . 1 19 19 SER CB C 13 63.56 0.30 . 1 . . . . . 19 SER CB . 53717 1 65 . 1 . 1 19 19 SER N N 15 110.47 0.30 . 1 . . . . . 19 SER N . 53717 1 66 . 1 . 1 20 20 PRO CA C 13 64.01 0.30 . 1 . . . . . 20 PRO CA . 53717 1 67 . 1 . 1 20 20 PRO CB C 13 32.09 0.30 . 1 . . . . . 20 PRO CB . 53717 1 68 . 1 . 1 21 21 GLN H H 1 7.37 0.02 . 1 . . . . . 21 GLN H . 53717 1 69 . 1 . 1 21 21 GLN CA C 13 53.05 0.30 . 1 . . . . . 21 GLN CA . 53717 1 70 . 1 . 1 21 21 GLN CB C 13 32.88 0.30 . 1 . . . . . 21 GLN CB . 53717 1 71 . 1 . 1 21 21 GLN N N 15 122.30 0.30 . 1 . . . . . 21 GLN N . 53717 1 72 . 1 . 1 22 22 ALA H H 1 8.49 0.02 . 1 . . . . . 22 ALA H . 53717 1 73 . 1 . 1 22 22 ALA CA C 13 52.12 0.30 . 1 . . . . . 22 ALA CA . 53717 1 74 . 1 . 1 22 22 ALA CB C 13 18.81 0.30 . 1 . . . . . 22 ALA CB . 53717 1 75 . 1 . 1 22 22 ALA N N 15 125.42 0.30 . 1 . . . . . 22 ALA N . 53717 1 76 . 1 . 1 23 23 CYS H H 1 9.43 0.02 . 1 . . . . . 23 CYS H . 53717 1 77 . 1 . 1 23 23 CYS CA C 13 60.86 0.30 . 1 . . . . . 23 CYS CA . 53717 1 78 . 1 . 1 23 23 CYS CB C 13 41.26 0.30 . 1 . . . . . 23 CYS CB . 53717 1 79 . 1 . 1 23 23 CYS N N 15 121.20 0.30 . 1 . . . . . 23 CYS N . 53717 1 80 . 1 . 1 24 24 ASN H H 1 9.19 0.02 . 1 . . . . . 24 ASN H . 53717 1 81 . 1 . 1 24 24 ASN CA C 13 56.65 0.30 . 1 . . . . . 24 ASN CA . 53717 1 82 . 1 . 1 24 24 ASN CB C 13 37.24 0.30 . 1 . . . . . 24 ASN CB . 53717 1 83 . 1 . 1 24 24 ASN N N 15 115.87 0.30 . 1 . . . . . 24 ASN N . 53717 1 84 . 1 . 1 25 25 SER H H 1 7.09 0.02 . 1 . . . . . 25 SER H . 53717 1 85 . 1 . 1 25 25 SER CA C 13 60.07 0.30 . 1 . . . . . 25 SER CA . 53717 1 86 . 1 . 1 25 25 SER CB C 13 62.93 0.30 . 1 . . . . . 25 SER CB . 53717 1 87 . 1 . 1 25 25 SER N N 15 111.86 0.30 . 1 . . . . . 25 SER N . 53717 1 88 . 1 . 1 26 26 ALA H H 1 8.43 0.02 . 1 . . . . . 26 ALA H . 53717 1 89 . 1 . 1 26 26 ALA CA C 13 54.80 0.30 . 1 . . . . . 26 ALA CA . 53717 1 90 . 1 . 1 26 26 ALA CB C 13 19.95 0.30 . 1 . . . . . 26 ALA CB . 53717 1 91 . 1 . 1 26 26 ALA N N 15 125.15 0.30 . 1 . . . . . 26 ALA N . 53717 1 92 . 1 . 1 27 27 MET H H 1 8.71 0.02 . 1 . . . . . 27 MET H . 53717 1 93 . 1 . 1 27 27 MET CA C 13 54.83 0.30 . 1 . . . . . 27 MET CA . 53717 1 94 . 1 . 1 27 27 MET CB C 13 29.07 0.30 . 1 . . . . . 27 MET CB . 53717 1 95 . 1 . 1 27 27 MET N N 15 112.25 0.30 . 1 . . . . . 27 MET N . 53717 1 96 . 1 . 1 28 28 LYS H H 1 7.34 0.02 . 1 . . . . . 28 LYS H . 53717 1 97 . 1 . 1 28 28 LYS CA C 13 60.19 0.30 . 1 . . . . . 28 LYS CA . 53717 1 98 . 1 . 1 28 28 LYS CB C 13 32.26 0.30 . 1 . . . . . 28 LYS CB . 53717 1 99 . 1 . 1 28 28 LYS N N 15 120.17 0.30 . 1 . . . . . 28 LYS N . 53717 1 100 . 1 . 1 29 29 ASN H H 1 7.40 0.02 . 1 . . . . . 29 ASN H . 53717 1 101 . 1 . 1 29 29 ASN CA C 13 55.42 0.30 . 1 . . . . . 29 ASN CA . 53717 1 102 . 1 . 1 29 29 ASN CB C 13 38.57 0.30 . 1 . . . . . 29 ASN CB . 53717 1 103 . 1 . 1 29 29 ASN N N 15 114.03 0.30 . 1 . . . . . 29 ASN N . 53717 1 104 . 1 . 1 30 30 ILE H H 1 7.07 0.02 . 1 . . . . . 30 ILE H . 53717 1 105 . 1 . 1 30 30 ILE CA C 13 64.02 0.30 . 1 . . . . . 30 ILE CA . 53717 1 106 . 1 . 1 30 30 ILE CB C 13 38.62 0.30 . 1 . . . . . 30 ILE CB . 53717 1 107 . 1 . 1 30 30 ILE N N 15 117.59 0.30 . 1 . . . . . 30 ILE N . 53717 1 108 . 1 . 1 31 31 ASN H H 1 8.48 0.02 . 1 . . . . . 31 ASN H . 53717 1 109 . 1 . 1 31 31 ASN CA C 13 54.77 0.30 . 1 . . . . . 31 ASN CA . 53717 1 110 . 1 . 1 31 31 ASN CB C 13 38.40 0.30 . 1 . . . . . 31 ASN CB . 53717 1 111 . 1 . 1 31 31 ASN N N 15 116.35 0.30 . 1 . . . . . 31 ASN N . 53717 1 112 . 1 . 1 32 32 LYS H H 1 7.53 0.02 . 1 . . . . . 32 LYS H . 53717 1 113 . 1 . 1 32 32 LYS CA C 13 58.70 0.30 . 1 . . . . . 32 LYS CA . 53717 1 114 . 1 . 1 32 32 LYS CB C 13 31.90 0.30 . 1 . . . . . 32 LYS CB . 53717 1 115 . 1 . 1 32 32 LYS N N 15 119.37 0.30 . 1 . . . . . 32 LYS N . 53717 1 116 . 1 . 1 33 33 HIS H H 1 7.74 0.02 . 1 . . . . . 33 HIS H . 53717 1 117 . 1 . 1 33 33 HIS CA C 13 55.36 0.30 . 1 . . . . . 33 HIS CA . 53717 1 118 . 1 . 1 33 33 HIS CB C 13 31.28 0.30 . 1 . . . . . 33 HIS CB . 53717 1 119 . 1 . 1 33 33 HIS N N 15 115.74 0.30 . 1 . . . . . 33 HIS N . 53717 1 120 . 1 . 1 38 38 LYS CA C 13 57.46 0.30 . 1 . . . . . 38 LYS CA . 53717 1 121 . 1 . 1 38 38 LYS CB C 13 32.59 0.30 . 1 . . . . . 38 LYS CB . 53717 1 122 . 1 . 1 39 39 ASP H H 1 8.99 0.02 . 1 . . . . . 39 ASP H . 53717 1 123 . 1 . 1 39 39 ASP CA C 13 57.49 0.30 . 1 . . . . . 39 ASP CA . 53717 1 124 . 1 . 1 39 39 ASP CB C 13 41.67 0.30 . 1 . . . . . 39 ASP CB . 53717 1 125 . 1 . 1 39 39 ASP N N 15 128.38 0.30 . 1 . . . . . 39 ASP N . 53717 1 126 . 1 . 1 40 40 LEU H H 1 7.74 0.02 . 1 . . . . . 40 LEU H . 53717 1 127 . 1 . 1 40 40 LEU CA C 13 54.01 0.30 . 1 . . . . . 40 LEU CA . 53717 1 128 . 1 . 1 40 40 LEU CB C 13 45.42 0.30 . 1 . . . . . 40 LEU CB . 53717 1 129 . 1 . 1 40 40 LEU N N 15 119.14 0.30 . 1 . . . . . 40 LEU N . 53717 1 130 . 1 . 1 41 41 ASN H H 1 8.59 0.02 . 1 . . . . . 41 ASN H . 53717 1 131 . 1 . 1 41 41 ASN CA C 13 53.69 0.30 . 1 . . . . . 41 ASN CA . 53717 1 132 . 1 . 1 41 41 ASN CB C 13 44.74 0.30 . 1 . . . . . 41 ASN CB . 53717 1 133 . 1 . 1 41 41 ASN N N 15 120.63 0.30 . 1 . . . . . 41 ASN N . 53717 1 134 . 1 . 1 42 42 THR H H 1 7.56 0.02 . 1 . . . . . 42 THR H . 53717 1 135 . 1 . 1 42 42 THR CA C 13 62.26 0.30 . 1 . . . . . 42 THR CA . 53717 1 136 . 1 . 1 42 42 THR CB C 13 69.94 0.30 . 1 . . . . . 42 THR CB . 53717 1 137 . 1 . 1 42 42 THR N N 15 122.47 0.30 . 1 . . . . . 42 THR N . 53717 1 138 . 1 . 1 43 43 PHE H H 1 9.34 0.02 . 1 . . . . . 43 PHE H . 53717 1 139 . 1 . 1 43 43 PHE CA C 13 56.22 0.30 . 1 . . . . . 43 PHE CA . 53717 1 140 . 1 . 1 43 43 PHE CB C 13 42.32 0.30 . 1 . . . . . 43 PHE CB . 53717 1 141 . 1 . 1 43 43 PHE N N 15 124.75 0.30 . 1 . . . . . 43 PHE N . 53717 1 142 . 1 . 1 44 44 LEU H H 1 9.27 0.02 . 1 . . . . . 44 LEU H . 53717 1 143 . 1 . 1 44 44 LEU CA C 13 54.06 0.30 . 1 . . . . . 44 LEU CA . 53717 1 144 . 1 . 1 44 44 LEU CB C 13 42.99 0.30 . 1 . . . . . 44 LEU CB . 53717 1 145 . 1 . 1 44 44 LEU N N 15 120.53 0.30 . 1 . . . . . 44 LEU N . 53717 1 146 . 1 . 1 45 45 HIS H H 1 8.64 0.02 . 1 . . . . . 45 HIS H . 53717 1 147 . 1 . 1 45 45 HIS CA C 13 52.61 0.30 . 1 . . . . . 45 HIS CA . 53717 1 148 . 1 . 1 45 45 HIS CB C 13 26.04 0.30 . 1 . . . . . 45 HIS CB . 53717 1 149 . 1 . 1 45 45 HIS N N 15 124.34 0.30 . 1 . . . . . 45 HIS N . 53717 1 150 . 1 . 1 46 46 GLU H H 1 6.92 0.02 . 1 . . . . . 46 GLU H . 53717 1 151 . 1 . 1 46 46 GLU CA C 13 52.76 0.30 . 1 . . . . . 46 GLU CA . 53717 1 152 . 1 . 1 46 46 GLU CB C 13 34.74 0.30 . 1 . . . . . 46 GLU CB . 53717 1 153 . 1 . 1 46 46 GLU N N 15 120.66 0.30 . 1 . . . . . 46 GLU N . 53717 1 154 . 1 . 1 47 47 PRO CA C 13 62.19 0.30 . 1 . . . . . 47 PRO CA . 53717 1 155 . 1 . 1 47 47 PRO CB C 13 32.01 0.30 . 1 . . . . . 47 PRO CB . 53717 1 156 . 1 . 1 48 48 PHE H H 1 9.38 0.02 . 1 . . . . . 48 PHE H . 53717 1 157 . 1 . 1 48 48 PHE CA C 13 62.47 0.30 . 1 . . . . . 48 PHE CA . 53717 1 158 . 1 . 1 48 48 PHE CB C 13 38.69 0.30 . 1 . . . . . 48 PHE CB . 53717 1 159 . 1 . 1 48 48 PHE N N 15 124.65 0.30 . 1 . . . . . 48 PHE N . 53717 1 160 . 1 . 1 49 49 SER H H 1 8.93 0.02 . 1 . . . . . 49 SER H . 53717 1 161 . 1 . 1 49 49 SER CA C 13 61.30 0.30 . 1 . . . . . 49 SER CA . 53717 1 162 . 1 . 1 49 49 SER N N 15 111.34 0.30 . 1 . . . . . 49 SER N . 53717 1 163 . 1 . 1 50 50 SER H H 1 7.20 0.02 . 1 . . . . . 50 SER H . 53717 1 164 . 1 . 1 50 50 SER CA C 13 60.64 0.30 . 1 . . . . . 50 SER CA . 53717 1 165 . 1 . 1 50 50 SER CB C 13 62.96 0.30 . 1 . . . . . 50 SER CB . 53717 1 166 . 1 . 1 50 50 SER N N 15 118.19 0.30 . 1 . . . . . 50 SER N . 53717 1 167 . 1 . 1 51 51 VAL H H 1 7.25 0.02 . 1 . . . . . 51 VAL H . 53717 1 168 . 1 . 1 51 51 VAL CA C 13 64.67 0.30 . 1 . . . . . 51 VAL CA . 53717 1 169 . 1 . 1 51 51 VAL CB C 13 31.20 0.30 . 1 . . . . . 51 VAL CB . 53717 1 170 . 1 . 1 51 51 VAL N N 15 123.46 0.30 . 1 . . . . . 51 VAL N . 53717 1 171 . 1 . 1 52 52 ALA H H 1 8.24 0.02 . 1 . . . . . 52 ALA H . 53717 1 172 . 1 . 1 52 52 ALA CA C 13 54.86 0.30 . 1 . . . . . 52 ALA CA . 53717 1 173 . 1 . 1 52 52 ALA CB C 13 15.78 0.30 . 1 . . . . . 52 ALA CB . 53717 1 174 . 1 . 1 52 52 ALA N N 15 119.69 0.30 . 1 . . . . . 52 ALA N . 53717 1 175 . 1 . 1 53 53 ALA H H 1 7.26 0.02 . 1 . . . . . 53 ALA H . 53717 1 176 . 1 . 1 53 53 ALA CA C 13 54.72 0.30 . 1 . . . . . 53 ALA CA . 53717 1 177 . 1 . 1 53 53 ALA CB C 13 17.21 0.30 . 1 . . . . . 53 ALA CB . 53717 1 178 . 1 . 1 53 53 ALA N N 15 120.31 0.30 . 1 . . . . . 53 ALA N . 53717 1 179 . 1 . 1 54 54 THR H H 1 7.73 0.02 . 1 . . . . . 54 THR H . 53717 1 180 . 1 . 1 54 54 THR CA C 13 65.61 0.30 . 1 . . . . . 54 THR CA . 53717 1 181 . 1 . 1 54 54 THR CB C 13 67.18 0.30 . 1 . . . . . 54 THR CB . 53717 1 182 . 1 . 1 54 54 THR N N 15 119.69 0.30 . 1 . . . . . 54 THR N . 53717 1 183 . 1 . 1 55 55 CYS H H 1 7.35 0.02 . 1 . . . . . 55 CYS H . 53717 1 184 . 1 . 1 55 55 CYS CA C 13 55.02 0.30 . 1 . . . . . 55 CYS CA . 53717 1 185 . 1 . 1 55 55 CYS CB C 13 39.64 0.30 . 1 . . . . . 55 CYS CB . 53717 1 186 . 1 . 1 55 55 CYS N N 15 115.37 0.30 . 1 . . . . . 55 CYS N . 53717 1 187 . 1 . 1 56 56 GLN H H 1 7.38 0.02 . 1 . . . . . 56 GLN H . 53717 1 188 . 1 . 1 56 56 GLN CA C 13 55.49 0.30 . 1 . . . . . 56 GLN CA . 53717 1 189 . 1 . 1 56 56 GLN CB C 13 28.79 0.30 . 1 . . . . . 56 GLN CB . 53717 1 190 . 1 . 1 56 56 GLN N N 15 113.96 0.30 . 1 . . . . . 56 GLN N . 53717 1 191 . 1 . 1 57 57 THR H H 1 7.59 0.02 . 1 . . . . . 57 THR H . 53717 1 192 . 1 . 1 57 57 THR CA C 13 61.67 0.30 . 1 . . . . . 57 THR CA . 53717 1 193 . 1 . 1 57 57 THR CB C 13 67.62 0.30 . 1 . . . . . 57 THR CB . 53717 1 194 . 1 . 1 57 57 THR N N 15 112.39 0.30 . 1 . . . . . 57 THR N . 53717 1 195 . 1 . 1 58 58 PRO CA C 13 62.87 0.30 . 1 . . . . . 58 PRO CA . 53717 1 196 . 1 . 1 58 58 PRO CB C 13 32.24 0.30 . 1 . . . . . 58 PRO CB . 53717 1 197 . 1 . 1 59 59 LYS H H 1 8.46 0.02 . 1 . . . . . 59 LYS H . 53717 1 198 . 1 . 1 59 59 LYS CA C 13 56.95 0.30 . 1 . . . . . 59 LYS CA . 53717 1 199 . 1 . 1 59 59 LYS CB C 13 32.82 0.30 . 1 . . . . . 59 LYS CB . 53717 1 200 . 1 . 1 59 59 LYS N N 15 122.57 0.30 . 1 . . . . . 59 LYS N . 53717 1 201 . 1 . 1 60 60 ILE H H 1 8.50 0.02 . 1 . . . . . 60 ILE H . 53717 1 202 . 1 . 1 60 60 ILE CA C 13 59.04 0.30 . 1 . . . . . 60 ILE CA . 53717 1 203 . 1 . 1 60 60 ILE CB C 13 43.01 0.30 . 1 . . . . . 60 ILE CB . 53717 1 204 . 1 . 1 60 60 ILE N N 15 118.90 0.30 . 1 . . . . . 60 ILE N . 53717 1 205 . 1 . 1 61 61 ALA H H 1 8.19 0.02 . 1 . . . . . 61 ALA H . 53717 1 206 . 1 . 1 61 61 ALA CA C 13 52.61 0.30 . 1 . . . . . 61 ALA CA . 53717 1 207 . 1 . 1 61 61 ALA CB C 13 18.75 0.30 . 1 . . . . . 61 ALA CB . 53717 1 208 . 1 . 1 61 61 ALA N N 15 120.87 0.30 . 1 . . . . . 61 ALA N . 53717 1 209 . 1 . 1 62 62 CYS H H 1 9.07 0.02 . 1 . . . . . 62 CYS H . 53717 1 210 . 1 . 1 62 62 CYS CA C 13 52.19 0.30 . 1 . . . . . 62 CYS CA . 53717 1 211 . 1 . 1 62 62 CYS CB C 13 40.55 0.30 . 1 . . . . . 62 CYS CB . 53717 1 212 . 1 . 1 62 62 CYS N N 15 120.63 0.30 . 1 . . . . . 62 CYS N . 53717 1 213 . 1 . 1 63 63 LYS H H 1 11.14 0.02 . 1 . . . . . 63 LYS H . 53717 1 214 . 1 . 1 63 63 LYS CA C 13 60.25 0.30 . 1 . . . . . 63 LYS CA . 53717 1 215 . 1 . 1 63 63 LYS CB C 13 31.82 0.30 . 1 . . . . . 63 LYS CB . 53717 1 216 . 1 . 1 63 63 LYS N N 15 128.71 0.30 . 1 . . . . . 63 LYS N . 53717 1 217 . 1 . 1 64 64 ASN H H 1 8.11 0.02 . 1 . . . . . 64 ASN H . 53717 1 218 . 1 . 1 64 64 ASN CA C 13 52.68 0.30 . 1 . . . . . 64 ASN CA . 53717 1 219 . 1 . 1 64 64 ASN CB C 13 37.42 0.30 . 1 . . . . . 64 ASN CB . 53717 1 220 . 1 . 1 64 64 ASN N N 15 114.19 0.30 . 1 . . . . . 64 ASN N . 53717 1 221 . 1 . 1 65 65 GLY H H 1 7.98 0.02 . 1 . . . . . 65 GLY H . 53717 1 222 . 1 . 1 65 65 GLY CA C 13 44.90 0.30 . 1 . . . . . 65 GLY CA . 53717 1 223 . 1 . 1 65 65 GLY N N 15 108.53 0.30 . 1 . . . . . 65 GLY N . 53717 1 224 . 1 . 1 66 66 ASP H H 1 8.05 0.02 . 1 . . . . . 66 ASP H . 53717 1 225 . 1 . 1 66 66 ASP CA C 13 54.68 0.30 . 1 . . . . . 66 ASP CA . 53717 1 226 . 1 . 1 66 66 ASP CB C 13 40.83 0.30 . 1 . . . . . 66 ASP CB . 53717 1 227 . 1 . 1 66 66 ASP N N 15 121.43 0.30 . 1 . . . . . 66 ASP N . 53717 1 228 . 1 . 1 67 67 LYS H H 1 8.78 0.02 . 1 . . . . . 67 LYS H . 53717 1 229 . 1 . 1 67 67 LYS CA C 13 55.05 0.30 . 1 . . . . . 67 LYS CA . 53717 1 230 . 1 . 1 67 67 LYS CB C 13 31.03 0.30 . 1 . . . . . 67 LYS CB . 53717 1 231 . 1 . 1 67 67 LYS N N 15 122.25 0.30 . 1 . . . . . 67 LYS N . 53717 1 232 . 1 . 1 68 68 ASN H H 1 7.75 0.02 . 1 . . . . . 68 ASN H . 53717 1 233 . 1 . 1 68 68 ASN CA C 13 52.16 0.30 . 1 . . . . . 68 ASN CA . 53717 1 234 . 1 . 1 68 68 ASN CB C 13 38.40 0.30 . 1 . . . . . 68 ASN CB . 53717 1 235 . 1 . 1 68 68 ASN N N 15 115.98 0.30 . 1 . . . . . 68 ASN N . 53717 1 236 . 1 . 1 69 69 CYS H H 1 7.73 0.02 . 1 . . . . . 69 CYS H . 53717 1 237 . 1 . 1 69 69 CYS CA C 13 61.01 0.30 . 1 . . . . . 69 CYS CA . 53717 1 238 . 1 . 1 69 69 CYS CB C 13 44.02 0.30 . 1 . . . . . 69 CYS CB . 53717 1 239 . 1 . 1 69 69 CYS N N 15 117.26 0.30 . 1 . . . . . 69 CYS N . 53717 1 240 . 1 . 1 70 70 HIS H H 1 8.31 0.02 . 1 . . . . . 70 HIS H . 53717 1 241 . 1 . 1 70 70 HIS CA C 13 55.58 0.30 . 1 . . . . . 70 HIS CA . 53717 1 242 . 1 . 1 70 70 HIS CB C 13 32.90 0.30 . 1 . . . . . 70 HIS CB . 53717 1 243 . 1 . 1 70 70 HIS N N 15 116.09 0.30 . 1 . . . . . 70 HIS N . 53717 1 244 . 1 . 1 71 71 GLN H H 1 9.24 0.02 . 1 . . . . . 71 GLN H . 53717 1 245 . 1 . 1 71 71 GLN CA C 13 54.49 0.30 . 1 . . . . . 71 GLN CA . 53717 1 246 . 1 . 1 71 71 GLN CB C 13 29.78 0.30 . 1 . . . . . 71 GLN CB . 53717 1 247 . 1 . 1 71 71 GLN N N 15 126.69 0.30 . 1 . . . . . 71 GLN N . 53717 1 248 . 1 . 1 72 72 SER H H 1 8.63 0.02 . 1 . . . . . 72 SER H . 53717 1 249 . 1 . 1 72 72 SER CA C 13 59.02 0.30 . 1 . . . . . 72 SER CA . 53717 1 250 . 1 . 1 72 72 SER CB C 13 63.67 0.30 . 1 . . . . . 72 SER CB . 53717 1 251 . 1 . 1 72 72 SER N N 15 121.51 0.30 . 1 . . . . . 72 SER N . 53717 1 252 . 1 . 1 73 73 HIS H H 1 9.23 0.02 . 1 . . . . . 73 HIS H . 53717 1 253 . 1 . 1 73 73 HIS CA C 13 57.87 0.30 . 1 . . . . . 73 HIS CA . 53717 1 254 . 1 . 1 73 73 HIS CB C 13 28.30 0.30 . 1 . . . . . 73 HIS CB . 53717 1 255 . 1 . 1 73 73 HIS N N 15 121.55 0.30 . 1 . . . . . 73 HIS N . 53717 1 256 . 1 . 1 74 74 GLY H H 1 7.60 0.02 . 1 . . . . . 74 GLY H . 53717 1 257 . 1 . 1 74 74 GLY CA C 13 43.88 0.30 . 1 . . . . . 74 GLY CA . 53717 1 258 . 1 . 1 74 74 GLY N N 15 105.26 0.30 . 1 . . . . . 74 GLY N . 53717 1 259 . 1 . 1 75 75 ALA H H 1 8.35 0.02 . 1 . . . . . 75 ALA H . 53717 1 260 . 1 . 1 75 75 ALA CA C 13 51.69 0.30 . 1 . . . . . 75 ALA CA . 53717 1 261 . 1 . 1 75 75 ALA CB C 13 19.01 0.30 . 1 . . . . . 75 ALA CB . 53717 1 262 . 1 . 1 75 75 ALA N N 15 123.11 0.30 . 1 . . . . . 75 ALA N . 53717 1 263 . 1 . 1 76 76 VAL H H 1 8.46 0.02 . 1 . . . . . 76 VAL H . 53717 1 264 . 1 . 1 76 76 VAL CA C 13 58.72 0.30 . 1 . . . . . 76 VAL CA . 53717 1 265 . 1 . 1 76 76 VAL CB C 13 35.09 0.30 . 1 . . . . . 76 VAL CB . 53717 1 266 . 1 . 1 76 76 VAL N N 15 115.73 0.30 . 1 . . . . . 76 VAL N . 53717 1 267 . 1 . 1 77 77 SER H H 1 8.52 0.02 . 1 . . . . . 77 SER H . 53717 1 268 . 1 . 1 77 77 SER CA C 13 58.40 0.30 . 1 . . . . . 77 SER CA . 53717 1 269 . 1 . 1 77 77 SER CB C 13 63.60 0.30 . 1 . . . . . 77 SER CB . 53717 1 270 . 1 . 1 77 77 SER N N 15 114.72 0.30 . 1 . . . . . 77 SER N . 53717 1 271 . 1 . 1 78 78 LEU H H 1 9.16 0.02 . 1 . . . . . 78 LEU H . 53717 1 272 . 1 . 1 78 78 LEU CA C 13 54.36 0.30 . 1 . . . . . 78 LEU CA . 53717 1 273 . 1 . 1 78 78 LEU CB C 13 45.53 0.30 . 1 . . . . . 78 LEU CB . 53717 1 274 . 1 . 1 78 78 LEU N N 15 124.40 0.30 . 1 . . . . . 78 LEU N . 53717 1 275 . 1 . 1 79 79 THR H H 1 8.94 0.02 . 1 . . . . . 79 THR H . 53717 1 276 . 1 . 1 79 79 THR CA C 13 62.80 0.30 . 1 . . . . . 79 THR CA . 53717 1 277 . 1 . 1 79 79 THR CB C 13 72.08 0.30 . 1 . . . . . 79 THR CB . 53717 1 278 . 1 . 1 79 79 THR N N 15 118.22 0.30 . 1 . . . . . 79 THR N . 53717 1 279 . 1 . 1 80 80 MET H H 1 9.11 0.02 . 1 . . . . . 80 MET H . 53717 1 280 . 1 . 1 80 80 MET CA C 13 54.45 0.30 . 1 . . . . . 80 MET CA . 53717 1 281 . 1 . 1 80 80 MET CB C 13 34.23 0.30 . 1 . . . . . 80 MET CB . 53717 1 282 . 1 . 1 80 80 MET N N 15 125.36 0.30 . 1 . . . . . 80 MET N . 53717 1 283 . 1 . 1 81 81 CYS H H 1 9.01 0.02 . 1 . . . . . 81 CYS H . 53717 1 284 . 1 . 1 81 81 CYS CA C 13 52.57 0.30 . 1 . . . . . 81 CYS CA . 53717 1 285 . 1 . 1 81 81 CYS CB C 13 39.53 0.30 . 1 . . . . . 81 CYS CB . 53717 1 286 . 1 . 1 81 81 CYS N N 15 122.93 0.30 . 1 . . . . . 81 CYS N . 53717 1 287 . 1 . 1 82 82 LYS H H 1 9.01 0.02 . 1 . . . . . 82 LYS H . 53717 1 288 . 1 . 1 82 82 LYS CA C 13 54.40 0.30 . 1 . . . . . 82 LYS CA . 53717 1 289 . 1 . 1 82 82 LYS CB C 13 35.64 0.30 . 1 . . . . . 82 LYS CB . 53717 1 290 . 1 . 1 82 82 LYS N N 15 125.84 0.30 . 1 . . . . . 82 LYS N . 53717 1 291 . 1 . 1 83 83 LEU H H 1 9.28 0.02 . 1 . . . . . 83 LEU H . 53717 1 292 . 1 . 1 83 83 LEU CA C 13 56.55 0.30 . 1 . . . . . 83 LEU CA . 53717 1 293 . 1 . 1 83 83 LEU CB C 13 43.34 0.30 . 1 . . . . . 83 LEU CB . 53717 1 294 . 1 . 1 83 83 LEU N N 15 132.20 0.30 . 1 . . . . . 83 LEU N . 53717 1 295 . 1 . 1 84 84 THR H H 1 9.43 0.02 . 1 . . . . . 84 THR H . 53717 1 296 . 1 . 1 84 84 THR CA C 13 61.95 0.30 . 1 . . . . . 84 THR CA . 53717 1 297 . 1 . 1 84 84 THR CB C 13 69.73 0.30 . 1 . . . . . 84 THR CB . 53717 1 298 . 1 . 1 84 84 THR N N 15 119.93 0.30 . 1 . . . . . 84 THR N . 53717 1 299 . 1 . 1 85 85 SER H H 1 7.59 0.02 . 1 . . . . . 85 SER H . 53717 1 300 . 1 . 1 85 85 SER CA C 13 58.56 0.30 . 1 . . . . . 85 SER CA . 53717 1 301 . 1 . 1 85 85 SER CB C 13 64.13 0.30 . 1 . . . . . 85 SER CB . 53717 1 302 . 1 . 1 85 85 SER N N 15 114.44 0.30 . 1 . . . . . 85 SER N . 53717 1 303 . 1 . 1 86 86 GLY H H 1 8.28 0.02 . 1 . . . . . 86 GLY H . 53717 1 304 . 1 . 1 86 86 GLY CA C 13 44.84 0.30 . 1 . . . . . 86 GLY CA . 53717 1 305 . 1 . 1 86 86 GLY N N 15 106.50 0.30 . 1 . . . . . 86 GLY N . 53717 1 306 . 1 . 1 89 89 PRO CA C 13 64.88 0.30 . 1 . . . . . 89 PRO CA . 53717 1 307 . 1 . 1 89 89 PRO CB C 13 32.11 0.30 . 1 . . . . . 89 PRO CB . 53717 1 308 . 1 . 1 90 90 ASN H H 1 8.33 0.02 . 1 . . . . . 90 ASN H . 53717 1 309 . 1 . 1 90 90 ASN CA C 13 57.07 0.30 . 1 . . . . . 90 ASN CA . 53717 1 310 . 1 . 1 90 90 ASN CB C 13 32.06 0.30 . 1 . . . . . 90 ASN CB . 53717 1 311 . 1 . 1 90 90 ASN N N 15 121.84 0.30 . 1 . . . . . 90 ASN N . 53717 1 312 . 1 . 1 91 91 CYS H H 1 7.38 0.02 . 1 . . . . . 91 CYS H . 53717 1 313 . 1 . 1 91 91 CYS CA C 13 54.23 0.30 . 1 . . . . . 91 CYS CA . 53717 1 314 . 1 . 1 91 91 CYS CB C 13 33.12 0.30 . 1 . . . . . 91 CYS CB . 53717 1 315 . 1 . 1 91 91 CYS N N 15 116.45 0.30 . 1 . . . . . 91 CYS N . 53717 1 316 . 1 . 1 92 92 ARG H H 1 8.52 0.02 . 1 . . . . . 92 ARG H . 53717 1 317 . 1 . 1 92 92 ARG CA C 13 55.15 0.30 . 1 . . . . . 92 ARG CA . 53717 1 318 . 1 . 1 92 92 ARG CB C 13 31.23 0.30 . 1 . . . . . 92 ARG CB . 53717 1 319 . 1 . 1 92 92 ARG N N 15 125.15 0.30 . 1 . . . . . 92 ARG N . 53717 1 320 . 1 . 1 93 93 TYR H H 1 9.55 0.02 . 1 . . . . . 93 TYR H . 53717 1 321 . 1 . 1 93 93 TYR CA C 13 58.50 0.30 . 1 . . . . . 93 TYR CA . 53717 1 322 . 1 . 1 93 93 TYR CB C 13 43.21 0.30 . 1 . . . . . 93 TYR CB . 53717 1 323 . 1 . 1 93 93 TYR N N 15 120.59 0.30 . 1 . . . . . 93 TYR N . 53717 1 324 . 1 . 1 94 94 LYS H H 1 9.43 0.02 . 1 . . . . . 94 LYS H . 53717 1 325 . 1 . 1 94 94 LYS CA C 13 55.01 0.30 . 1 . . . . . 94 LYS CA . 53717 1 326 . 1 . 1 94 94 LYS CB C 13 34.83 0.30 . 1 . . . . . 94 LYS CB . 53717 1 327 . 1 . 1 94 94 LYS N N 15 122.26 0.30 . 1 . . . . . 94 LYS N . 53717 1 328 . 1 . 1 95 95 GLU H H 1 8.70 0.02 . 1 . . . . . 95 GLU H . 53717 1 329 . 1 . 1 95 95 GLU CA C 13 55.59 0.30 . 1 . . . . . 95 GLU CA . 53717 1 330 . 1 . 1 95 95 GLU CB C 13 34.00 0.30 . 1 . . . . . 95 GLU CB . 53717 1 331 . 1 . 1 95 95 GLU N N 15 125.05 0.30 . 1 . . . . . 95 GLU N . 53717 1 332 . 1 . 1 96 96 LYS H H 1 8.66 0.02 . 1 . . . . . 96 LYS H . 53717 1 333 . 1 . 1 96 96 LYS CA C 13 55.77 0.30 . 1 . . . . . 96 LYS CA . 53717 1 334 . 1 . 1 96 96 LYS CB C 13 35.39 0.30 . 1 . . . . . 96 LYS CB . 53717 1 335 . 1 . 1 96 96 LYS N N 15 124.21 0.30 . 1 . . . . . 96 LYS N . 53717 1 336 . 1 . 1 97 97 ARG H H 1 9.10 0.02 . 1 . . . . . 97 ARG H . 53717 1 337 . 1 . 1 97 97 ARG CA C 13 55.63 0.30 . 1 . . . . . 97 ARG CA . 53717 1 338 . 1 . 1 97 97 ARG CB C 13 30.51 0.30 . 1 . . . . . 97 ARG CB . 53717 1 339 . 1 . 1 97 97 ARG N N 15 129.66 0.30 . 1 . . . . . 97 ARG N . 53717 1 340 . 1 . 1 98 98 GLN H H 1 9.09 0.02 . 1 . . . . . 98 GLN H . 53717 1 341 . 1 . 1 98 98 GLN CA C 13 54.60 0.30 . 1 . . . . . 98 GLN CA . 53717 1 342 . 1 . 1 98 98 GLN CB C 13 34.15 0.30 . 1 . . . . . 98 GLN CB . 53717 1 343 . 1 . 1 98 98 GLN N N 15 122.59 0.30 . 1 . . . . . 98 GLN N . 53717 1 344 . 1 . 1 99 99 ASN H H 1 8.60 0.02 . 1 . . . . . 99 ASN H . 53717 1 345 . 1 . 1 99 99 ASN CA C 13 52.58 0.30 . 1 . . . . . 99 ASN CA . 53717 1 346 . 1 . 1 99 99 ASN CB C 13 39.27 0.30 . 1 . . . . . 99 ASN CB . 53717 1 347 . 1 . 1 99 99 ASN N N 15 120.59 0.30 . 1 . . . . . 99 ASN N . 53717 1 348 . 1 . 1 100 100 LYS H H 1 8.80 0.02 . 1 . . . . . 100 LYS H . 53717 1 349 . 1 . 1 100 100 LYS CA C 13 54.46 0.30 . 1 . . . . . 100 LYS CA . 53717 1 350 . 1 . 1 100 100 LYS CB C 13 39.31 0.30 . 1 . . . . . 100 LYS CB . 53717 1 351 . 1 . 1 100 100 LYS N N 15 122.76 0.30 . 1 . . . . . 100 LYS N . 53717 1 352 . 1 . 1 101 101 SER H H 1 8.75 0.02 . 1 . . . . . 101 SER H . 53717 1 353 . 1 . 1 101 101 SER CA C 13 59.48 0.30 . 1 . . . . . 101 SER CA . 53717 1 354 . 1 . 1 101 101 SER CB C 13 63.56 0.30 . 1 . . . . . 101 SER CB . 53717 1 355 . 1 . 1 101 101 SER N N 15 117.30 0.30 . 1 . . . . . 101 SER N . 53717 1 356 . 1 . 1 102 102 TYR H H 1 7.84 0.02 . 1 . . . . . 102 TYR H . 53717 1 357 . 1 . 1 102 102 TYR CA C 13 55.43 0.30 . 1 . . . . . 102 TYR CA . 53717 1 358 . 1 . 1 102 102 TYR CB C 13 41.69 0.30 . 1 . . . . . 102 TYR CB . 53717 1 359 . 1 . 1 102 102 TYR N N 15 114.60 0.30 . 1 . . . . . 102 TYR N . 53717 1 360 . 1 . 1 103 103 VAL H H 1 8.58 0.02 . 1 . . . . . 103 VAL H . 53717 1 361 . 1 . 1 103 103 VAL CA C 13 60.29 0.30 . 1 . . . . . 103 VAL CA . 53717 1 362 . 1 . 1 103 103 VAL CB C 13 34.78 0.30 . 1 . . . . . 103 VAL CB . 53717 1 363 . 1 . 1 103 103 VAL N N 15 118.67 0.30 . 1 . . . . . 103 VAL N . 53717 1 364 . 1 . 1 104 104 VAL H H 1 8.77 0.02 . 1 . . . . . 104 VAL H . 53717 1 365 . 1 . 1 104 104 VAL CA C 13 57.90 0.30 . 1 . . . . . 104 VAL CA . 53717 1 366 . 1 . 1 104 104 VAL CB C 13 34.79 0.30 . 1 . . . . . 104 VAL CB . 53717 1 367 . 1 . 1 104 104 VAL N N 15 117.52 0.30 . 1 . . . . . 104 VAL N . 53717 1 368 . 1 . 1 105 105 ALA H H 1 8.76 0.02 . 1 . . . . . 105 ALA H . 53717 1 369 . 1 . 1 105 105 ALA CA C 13 51.35 0.30 . 1 . . . . . 105 ALA CA . 53717 1 370 . 1 . 1 105 105 ALA CB C 13 20.74 0.30 . 1 . . . . . 105 ALA CB . 53717 1 371 . 1 . 1 105 105 ALA N N 15 124.41 0.30 . 1 . . . . . 105 ALA N . 53717 1 372 . 1 . 1 106 106 CYS H H 1 8.62 0.02 . 1 . . . . . 106 CYS H . 53717 1 373 . 1 . 1 106 106 CYS CA C 13 55.33 0.30 . 1 . . . . . 106 CYS CA . 53717 1 374 . 1 . 1 106 106 CYS CB C 13 50.41 0.30 . 1 . . . . . 106 CYS CB . 53717 1 375 . 1 . 1 106 106 CYS N N 15 117.56 0.30 . 1 . . . . . 106 CYS N . 53717 1 376 . 1 . 1 107 107 LYS H H 1 8.91 0.02 . 1 . . . . . 107 LYS H . 53717 1 377 . 1 . 1 107 107 LYS CA C 13 54.28 0.30 . 1 . . . . . 107 LYS CA . 53717 1 378 . 1 . 1 107 107 LYS CB C 13 36.00 0.30 . 1 . . . . . 107 LYS CB . 53717 1 379 . 1 . 1 107 107 LYS N N 15 122.77 0.30 . 1 . . . . . 107 LYS N . 53717 1 380 . 1 . 1 109 109 PRO CA C 13 62.83 0.30 . 1 . . . . . 109 PRO CA . 53717 1 381 . 1 . 1 109 109 PRO CB C 13 32.65 0.30 . 1 . . . . . 109 PRO CB . 53717 1 382 . 1 . 1 110 110 GLN H H 1 9.54 0.02 . 1 . . . . . 110 GLN H . 53717 1 383 . 1 . 1 110 110 GLN CA C 13 55.18 0.30 . 1 . . . . . 110 GLN CA . 53717 1 384 . 1 . 1 110 110 GLN CB C 13 30.51 0.30 . 1 . . . . . 110 GLN CB . 53717 1 385 . 1 . 1 110 110 GLN N N 15 120.90 0.30 . 1 . . . . . 110 GLN N . 53717 1 386 . 1 . 1 111 111 LYS H H 1 8.68 0.02 . 1 . . . . . 111 LYS H . 53717 1 387 . 1 . 1 111 111 LYS CA C 13 59.87 0.30 . 1 . . . . . 111 LYS CA . 53717 1 388 . 1 . 1 111 111 LYS CB C 13 32.33 0.30 . 1 . . . . . 111 LYS CB . 53717 1 389 . 1 . 1 111 111 LYS N N 15 121.99 0.30 . 1 . . . . . 111 LYS N . 53717 1 390 . 1 . 1 112 112 LYS H H 1 7.90 0.02 . 1 . . . . . 112 LYS H . 53717 1 391 . 1 . 1 112 112 LYS CA C 13 56.83 0.30 . 1 . . . . . 112 LYS CA . 53717 1 392 . 1 . 1 112 112 LYS CB C 13 32.04 0.30 . 1 . . . . . 112 LYS CB . 53717 1 393 . 1 . 1 112 112 LYS N N 15 112.96 0.30 . 1 . . . . . 112 LYS N . 53717 1 394 . 1 . 1 113 113 ASP H H 1 7.54 0.02 . 1 . . . . . 113 ASP H . 53717 1 395 . 1 . 1 113 113 ASP CA C 13 54.82 0.30 . 1 . . . . . 113 ASP CA . 53717 1 396 . 1 . 1 113 113 ASP CB C 13 43.05 0.30 . 1 . . . . . 113 ASP CB . 53717 1 397 . 1 . 1 113 113 ASP N N 15 118.66 0.30 . 1 . . . . . 113 ASP N . 53717 1 398 . 1 . 1 114 114 SER H H 1 8.39 0.02 . 1 . . . . . 114 SER H . 53717 1 399 . 1 . 1 114 114 SER CA C 13 59.20 0.30 . 1 . . . . . 114 SER CA . 53717 1 400 . 1 . 1 114 114 SER CB C 13 63.46 0.30 . 1 . . . . . 114 SER CB . 53717 1 401 . 1 . 1 114 114 SER N N 15 113.82 0.30 . 1 . . . . . 114 SER N . 53717 1 402 . 1 . 1 115 115 GLN H H 1 8.68 0.02 . 1 . . . . . 115 GLN H . 53717 1 403 . 1 . 1 115 115 GLN CA C 13 54.41 0.30 . 1 . . . . . 115 GLN CA . 53717 1 404 . 1 . 1 115 115 GLN CB C 13 28.32 0.30 . 1 . . . . . 115 GLN CB . 53717 1 405 . 1 . 1 115 115 GLN N N 15 122.39 0.30 . 1 . . . . . 115 GLN N . 53717 1 406 . 1 . 1 116 116 GLN H H 1 8.00 0.02 . 1 . . . . . 116 GLN H . 53717 1 407 . 1 . 1 116 116 GLN CA C 13 58.30 0.30 . 1 . . . . . 116 GLN CA . 53717 1 408 . 1 . 1 116 116 GLN CB C 13 28.55 0.30 . 1 . . . . . 116 GLN CB . 53717 1 409 . 1 . 1 116 116 GLN N N 15 119.71 0.30 . 1 . . . . . 116 GLN N . 53717 1 410 . 1 . 1 117 117 PHE H H 1 7.80 0.02 . 1 . . . . . 117 PHE H . 53717 1 411 . 1 . 1 117 117 PHE CA C 13 55.68 0.30 . 1 . . . . . 117 PHE CA . 53717 1 412 . 1 . 1 117 117 PHE CB C 13 40.84 0.30 . 1 . . . . . 117 PHE CB . 53717 1 413 . 1 . 1 117 117 PHE N N 15 115.40 0.30 . 1 . . . . . 117 PHE N . 53717 1 414 . 1 . 1 118 118 HIS H H 1 9.03 0.02 . 1 . . . . . 118 HIS H . 53717 1 415 . 1 . 1 118 118 HIS CA C 13 57.14 0.30 . 1 . . . . . 118 HIS CA . 53717 1 416 . 1 . 1 118 118 HIS CB C 13 28.80 0.30 . 1 . . . . . 118 HIS CB . 53717 1 417 . 1 . 1 118 118 HIS N N 15 120.13 0.30 . 1 . . . . . 118 HIS N . 53717 1 418 . 1 . 1 119 119 LEU H H 1 7.17 0.02 . 1 . . . . . 119 LEU H . 53717 1 419 . 1 . 1 119 119 LEU CA C 13 53.92 0.30 . 1 . . . . . 119 LEU CA . 53717 1 420 . 1 . 1 119 119 LEU CB C 13 48.11 0.30 . 1 . . . . . 119 LEU CB . 53717 1 421 . 1 . 1 119 119 LEU N N 15 115.47 0.30 . 1 . . . . . 119 LEU N . 53717 1 422 . 1 . 1 120 120 VAL H H 1 9.08 0.02 . 1 . . . . . 120 VAL H . 53717 1 423 . 1 . 1 120 120 VAL CA C 13 56.86 0.30 . 1 . . . . . 120 VAL CA . 53717 1 424 . 1 . 1 120 120 VAL CB C 13 33.78 0.30 . 1 . . . . . 120 VAL CB . 53717 1 425 . 1 . 1 120 120 VAL N N 15 111.96 0.30 . 1 . . . . . 120 VAL N . 53717 1 426 . 1 . 1 121 121 PRO CA C 13 61.63 0.30 . 1 . . . . . 121 PRO CA . 53717 1 427 . 1 . 1 121 121 PRO CB C 13 30.48 0.30 . 1 . . . . . 121 PRO CB . 53717 1 428 . 1 . 1 122 122 VAL H H 1 8.81 0.02 . 1 . . . . . 122 VAL H . 53717 1 429 . 1 . 1 122 122 VAL CA C 13 61.02 0.30 . 1 . . . . . 122 VAL CA . 53717 1 430 . 1 . 1 122 122 VAL CB C 13 34.26 0.30 . 1 . . . . . 122 VAL CB . 53717 1 431 . 1 . 1 122 122 VAL N N 15 109.86 0.30 . 1 . . . . . 122 VAL N . 53717 1 432 . 1 . 1 123 123 HIS H H 1 7.34 0.02 . 1 . . . . . 123 HIS H . 53717 1 433 . 1 . 1 123 123 HIS CA C 13 56.48 0.30 . 1 . . . . . 123 HIS CA . 53717 1 434 . 1 . 1 123 123 HIS CB C 13 33.63 0.30 . 1 . . . . . 123 HIS CB . 53717 1 435 . 1 . 1 123 123 HIS N N 15 118.57 0.30 . 1 . . . . . 123 HIS N . 53717 1 436 . 1 . 1 124 124 LEU H H 1 9.14 0.02 . 1 . . . . . 124 LEU H . 53717 1 437 . 1 . 1 124 124 LEU CA C 13 54.37 0.30 . 1 . . . . . 124 LEU CA . 53717 1 438 . 1 . 1 124 124 LEU CB C 13 40.64 0.30 . 1 . . . . . 124 LEU CB . 53717 1 439 . 1 . 1 124 124 LEU N N 15 130.67 0.30 . 1 . . . . . 124 LEU N . 53717 1 440 . 1 . 1 125 125 ASP H H 1 8.79 0.02 . 1 . . . . . 125 ASP H . 53717 1 441 . 1 . 1 125 125 ASP CA C 13 57.52 0.30 . 1 . . . . . 125 ASP CA . 53717 1 442 . 1 . 1 125 125 ASP CB C 13 46.32 0.30 . 1 . . . . . 125 ASP CB . 53717 1 443 . 1 . 1 125 125 ASP N N 15 130.02 0.30 . 1 . . . . . 125 ASP N . 53717 1 444 . 1 . 1 126 126 ARG H H 1 7.44 0.02 . 1 . . . . . 126 ARG H . 53717 1 445 . 1 . 1 126 126 ARG CA C 13 55.37 0.30 . 1 . . . . . 126 ARG CA . 53717 1 446 . 1 . 1 126 126 ARG CB C 13 32.62 0.30 . 1 . . . . . 126 ARG CB . 53717 1 447 . 1 . 1 126 126 ARG N N 15 108.71 0.30 . 1 . . . . . 126 ARG N . 53717 1 448 . 1 . 1 127 127 VAL H H 1 8.19 0.02 . 1 . . . . . 127 VAL H . 53717 1 449 . 1 . 1 127 127 VAL CA C 13 61.48 0.30 . 1 . . . . . 127 VAL CA . 53717 1 450 . 1 . 1 127 127 VAL CB C 13 33.84 0.30 . 1 . . . . . 127 VAL CB . 53717 1 451 . 1 . 1 127 127 VAL N N 15 118.55 0.30 . 1 . . . . . 127 VAL N . 53717 1 452 . 1 . 1 128 128 LEU H H 1 8.21 0.02 . 1 . . . . . 128 LEU H . 53717 1 453 . 1 . 1 128 128 LEU CA C 13 57.56 0.30 . 1 . . . . . 128 LEU CA . 53717 1 454 . 1 . 1 128 128 LEU CB C 13 42.84 0.30 . 1 . . . . . 128 LEU CB . 53717 1 455 . 1 . 1 128 128 LEU N N 15 131.24 0.30 . 1 . . . . . 128 LEU N . 53717 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 53717 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'Assigned peak list' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Merit Details Fit Method Vol. Method 1 31 8.72868 110.43641 4GlyH 4GlyN 2.13973e+07 1.17900e+08 28.70116 19.26455 1.00000 None parabolic box sum 2 45 7.36745 118.98430 5MetH 5MetN 7.67662e+07 4.24231e+08 22.19509 20.43085 1.00000 None parabolic box sum 3 46 8.70593 114.94865 6ThrH 6ThrN 6.07102e+07 3.25822e+08 25.84893 18.49650 1.00000 None parabolic box sum 4 62 8.96212 117.88595 7SerH 7SerN 2.48570e+07 1.42899e+08 29.10063 20.87101 1.00000 None parabolic box sum 5 63 10.02628 119.47105 8SerH 8SerN 3.17003e+07 1.64213e+08 25.95859 18.00587 1.00000 None parabolic box sum 6 64 8.27476 122.65162 9GlnH 9GlnN 7.20705e+07 3.65669e+08 24.44020 17.21743 1.00000 None parabolic box sum 7 47 8.41248 120.58510 10TrpH 10TrpN 6.05586e+07 4.40949e+08 30.39722 37.87467 1.00000 None parabolic box sum 8 245 10.06619 129.76198 10TrpHe1 10TrpNe1 4.12140e+07 2.10054e+08 23.03204 18.29145 1.00000 None parabolic box sum 9 48 8.42499 120.81199 11PheH 11PheN 6.18016e+07 3.55159e+08 24.49178 37.07073 1.00000 None parabolic box sum 10 49 8.10972 118.82312 12LysH 12LysN 6.10829e+07 3.18080e+08 24.82190 18.45550 1.00000 None parabolic box sum 11 50 7.89985 119.06081 13IleH 13IleN 5.73479e+07 3.03302e+08 24.10473 18.99288 1.00000 None parabolic box sum 12 51 7.49941 114.15346 14GlnH 14GlnN 6.36165e+07 3.36299e+08 25.78474 18.49846 1.00000 None parabolic box sum 13 52 7.48404 105.72989 15HisH 15HisN 3.95937e+07 2.32357e+08 28.62284 20.12189 1.00000 None parabolic box sum 14 65 8.16953 116.91759 16MetH 16MetN 5.13388e+07 2.88358e+08 27.95725 19.58065 1.00000 None parabolic box sum 15 67 8.55839 124.56294 17GlnH 17GlnN 6.18781e+07 3.35118e+08 26.70441 19.04334 1.00000 None parabolic box sum 16 92 7.51319 110.46813 19SerH 19SerN 1.00651e+08 5.52650e+08 24.32825 19.75210 1.00000 None parabolic box sum 17 3 7.37054 122.30364 21GlnH 21GlnN 8.06787e+07 4.17218e+08 28.18077 17.25780 1.00000 None parabolic box sum 18 2 8.48881 125.41661 22AlaH 22AlaN 9.69441e+07 5.36151e+08 22.34257 20.05012 1.00000 None parabolic box sum 19 4 9.42830 121.20386 23CysH 23CysN 4.86066e+07 2.70151e+08 25.40648 19.57729 1.00000 None parabolic box sum 20 5 9.18523 115.87206 24AsnH 24AsnN 4.89991e+07 2.54279e+08 23.23416 18.46720 1.00000 None parabolic box sum 21 6 7.09387 111.86226 25SerH 25SerN 7.02035e+07 3.76568e+08 23.68253 19.10264 1.00000 None parabolic box sum 22 24 8.43282 125.15410 26AlaH 26AlaN 7.71331e+07 3.88544e+08 24.93461 16.82801 1.00000 None parabolic box sum 23 25 8.71490 112.24562 27MetH 27MetN 5.35557e+07 2.82210e+08 23.46436 18.74490 1.00000 None parabolic box sum 24 26 7.34255 120.17495 28LysH 28LysN 9.02244e+07 4.70716e+08 23.97979 18.57325 1.00000 None parabolic box sum 25 27 7.40419 114.03464 29AsnH 29AsnN 9.46571e+07 5.15546e+08 45.23267 18.32562 1.00000 None parabolic box sum 26 28 7.07318 117.59457 30IleH 30IleN 4.54378e+07 2.56463e+08 27.56447 19.76962 1.00000 None parabolic box sum 27 30 8.47529 116.35335 31AsnH 31AsnN 4.60740e+07 2.65683e+08 27.41432 20.96507 1.00000 None parabolic box sum 28 107 7.53027 119.36612 32LysH 32LysN 5.19068e+07 2.90669e+08 26.34258 20.22920 1.00000 None parabolic box sum 29 232 7.73915 115.73542 33HisH 33HisN 3.30336e+07 2.35158e+08 32.41385 44.16098 1.00000 None None box sum 30 72 8.98910 128.37835 39AspH 39AspN 4.01831e+07 2.42997e+08 23.84205 22.67349 1.00000 None parabolic box sum 31 71 7.74398 119.14339 40LeuH 40LeuN 8.91932e+07 4.62643e+08 24.77070 17.44851 1.00000 None parabolic box sum 32 240 8.58536 120.63013 41AsnH 41AsnN 9.51934e+07 5.58486e+08 40.76041 18.02711 1.00000 None None box sum 33 69 7.55512 122.46512 42ThrH 42ThrN 3.51467e+07 2.04736e+08 37.64606 19.71866 1.00000 None parabolic box sum 34 68 9.34424 124.74660 43PheH 43PheN 5.04554e+07 3.16001e+08 55.93342 21.52026 1.00000 None parabolic box sum 35 74 9.27039 120.52704 44LeuH 44LeuN 5.20165e+07 2.79920e+08 26.62455 18.80013 1.00000 None parabolic box sum 36 75 8.63616 124.34185 45HisH 45HisN 6.06242e+07 3.59398e+08 31.55646 21.38800 1.00000 None parabolic box sum 37 76 6.92328 120.65792 46GluH 46GluN 6.96421e+07 3.76424e+08 25.54632 19.09220 1.00000 None parabolic box sum 38 91 9.38308 124.64602 48PheH 48PheN 3.97321e+07 2.44474e+08 60.85328 21.55664 1.00000 None parabolic box sum 39 90 8.93375 111.34040 49SerH 49SerN 8.33439e+07 4.09093e+08 20.51087 17.83233 1.00000 None parabolic box sum 40 77 7.20339 118.18723 50SerH 50SerN 7.40858e+07 4.22612e+08 23.36578 20.27258 1.00000 None parabolic box sum 41 61 7.25479 123.45979 51ValH 51ValN 9.57231e+07 4.78721e+08 24.33283 16.99566 1.00000 None parabolic box sum 42 60 8.23868 119.69011 52AlaH 52AlaN 9.44378e+07 4.87652e+08 23.86593 18.31076 1.00000 None parabolic box sum 43 55 7.25857 120.30995 53AlaH 53AlaN 1.14227e+08 5.90581e+08 21.83020 19.02344 1.00000 None parabolic box sum 44 56 7.72690 119.69158 54ThrH 54ThrN 1.08617e+08 5.95817e+08 22.08811 20.36945 1.00000 None parabolic box sum 45 57 7.34627 115.37480 55CysH 55CysN 9.39916e+07 4.94676e+08 21.03203 19.49010 1.00000 None parabolic box sum 46 58 7.37825 113.95827 56GlnH 56GlnN 1.12724e+08 6.18800e+08 36.56898 18.99568 1.00000 None parabolic box sum 47 59 7.59047 112.38669 57ThrH 57ThrN 9.30289e+07 5.08898e+08 25.71176 19.35356 1.00000 None parabolic box sum 48 142 8.46054 122.57040 59LysH 59LysN 1.17593e+07 6.12470e+07 19.24389 20.71296 1.00000 None parabolic box sum 49 38 8.50292 118.89983 60IleH 60IleN 6.00117e+07 3.25485e+08 26.43504 19.14547 1.00000 None parabolic box sum 50 37 8.18560 120.87346 61AlaH 61AlaN 9.77070e+07 5.07707e+08 23.47353 18.83581 1.00000 None parabolic box sum 51 36 9.07091 120.62943 62CysH 62CysN 6.99501e+07 3.50879e+08 24.49197 17.23116 1.00000 None parabolic box sum 52 35 11.13685 128.70941 63LysH 63LysN 5.25072e+07 2.95666e+08 24.68282 20.23418 1.00000 None parabolic box sum 53 34 8.11370 114.19174 64AsnH 64AsnN 8.41459e+07 4.45828e+08 23.61567 19.04068 1.00000 None parabolic box sum 54 33 7.97779 108.52541 65GlyH 65GlyN 6.87750e+07 3.55606e+08 24.16777 18.31118 1.00000 None parabolic box sum 55 43 8.04970 121.42925 66AspH 66AspN 9.94084e+07 5.02783e+08 21.96278 18.32948 1.00000 None parabolic box sum 56 44 8.78414 122.25000 67LysH 67LysN 5.11847e+07 2.90386e+08 24.40352 20.48398 1.00000 None parabolic box sum 57 14 7.74676 115.97854 68AsnH 68AsnN 7.28181e+07 4.02982e+08 26.37314 19.19586 1.00000 None parabolic box sum 58 13 7.72703 117.25840 69CysH 69CysN 6.89840e+07 3.77693e+08 25.93146 19.27142 1.00000 None parabolic box sum 59 12 8.31419 116.09423 70HisH 70HisN 5.90423e+07 3.01645e+08 28.07952 16.60084 1.00000 None parabolic box sum 60 11 9.24457 126.69117 71GlnH 71GlnN 5.37994e+07 3.07715e+08 26.64786 19.88071 1.00000 None parabolic box sum 61 10 8.62586 121.51184 72SerH 72SerN 7.03481e+07 3.64723e+08 24.43179 18.21201 1.00000 None parabolic box sum 62 9 9.22706 121.55331 73HisH 73HisN 5.15115e+07 2.73049e+08 24.93022 18.92805 1.00000 None parabolic box sum 63 8 7.60266 105.26148 74GlyH 74GlyN 1.14638e+08 5.88870e+08 19.95304 19.18983 1.00000 None parabolic box sum 64 42 8.34524 123.10801 75AlaH 75AlaN 1.37929e+08 6.54100e+08 21.12144 16.18227 1.00000 None parabolic box sum 65 41 8.46355 115.72887 76ValH 76ValN 1.00089e+08 5.30507e+08 25.90471 18.21908 1.00000 None parabolic box sum 66 39 8.52063 114.72256 77SerH 77SerN 9.77073e+07 4.84442e+08 23.41011 16.63028 1.00000 None parabolic box sum 67 23 9.16374 124.40235 78LeuH 78LeuN 7.07345e+07 4.00195e+08 25.45252 20.37246 1.00000 None parabolic box sum 68 22 8.93938 118.22281 79ThrH 79ThrN 6.29911e+07 3.37058e+08 27.74634 18.46973 1.00000 None parabolic box sum 69 21 9.10690 125.35857 80MetH 80MetN 5.95024e+07 3.16062e+08 28.45052 17.87606 1.00000 None parabolic box sum 70 20 9.00746 122.92554 81CysH 81CysN 4.88936e+07 2.86754e+08 26.78274 20.61399 1.00000 None parabolic box sum 71 19 9.01311 125.84171 82LysH 82LysN 5.27740e+07 2.71140e+08 27.39139 17.17698 1.00000 None parabolic box sum 72 18 9.28274 132.19696 83LeuH 83LeuN 5.46506e+07 2.95069e+08 26.60449 19.10216 1.00000 None parabolic box sum 73 17 9.43400 119.93109 84ThrH 84ThrN 4.64849e+07 2.49545e+08 30.60450 17.82896 1.00000 None parabolic box sum 74 16 7.59049 114.44388 85SerH 85SerN 8.83476e+07 5.04029e+08 23.16099 20.27230 1.00000 None parabolic box sum 75 15 8.27638 106.49748 86GlyH 86GlyN 6.61782e+07 3.66546e+08 23.99851 19.85723 1.00000 None parabolic box sum 76 73 8.32518 121.83683 90AsnH 90AsnN 1.06694e+08 5.55494e+08 21.90891 18.98384 1.00000 None parabolic box sum 77 106 7.38101 116.45048 91CysH 91CysN 4.51331e+07 2.47118e+08 30.04647 18.75906 1.00000 None parabolic box sum 78 105 8.52344 125.15266 92ArgH 92ArgN 3.58996e+07 2.13962e+08 32.02451 22.20616 1.00000 None parabolic box sum 79 104 9.55193 120.59012 93TyrH 93TyrN 4.79945e+07 2.74581e+08 27.11400 19.82730 1.00000 None parabolic box sum 80 100 9.42934 122.26156 94LysH 94LysN 4.86524e+07 2.98098e+08 28.23827 20.81235 1.00000 None parabolic box sum 81 54 8.69692 125.04990 95GluH 95GluN 7.31511e+07 3.96621e+08 23.13845 20.20256 1.00000 None parabolic box sum 82 101 8.66135 124.21073 96LysH 96LysN 6.79045e+07 4.41549e+08 40.35005 22.13109 1.00000 None parabolic box sum 83 102 9.09632 129.66203 97ArgH 97ArgN 6.77792e+07 3.54603e+08 22.75713 18.77413 1.00000 None parabolic box sum 84 103 9.08729 122.58910 98GlnH 98GlnN 6.79878e+07 3.84220e+08 25.79849 20.12329 1.00000 None parabolic box sum 85 109 8.60300 120.59291 99AsnH 99AsnN 1.31063e+08 7.32117e+08 33.33810 18.79579 1.00000 None parabolic box sum 86 108 8.79610 122.76236 100LysH 100LysN 7.94968e+07 4.06643e+08 26.38040 16.97590 1.00000 None parabolic box sum 87 78 8.74640 117.29623 101SerH 101SerN 8.25104e+07 4.90007e+08 25.48404 20.46729 1.00000 None parabolic box sum 88 84 7.84096 114.60269 102TyrH 102TyrN 7.72782e+07 4.06022e+08 27.26912 17.71430 1.00000 None parabolic box sum 89 87 8.57980 118.66620 103ValH 103ValN 6.39620e+07 3.49857e+08 29.56543 18.72457 1.00000 None parabolic box sum 90 86 8.77211 117.51924 104ValH 104ValN 5.59044e+07 3.36164e+08 30.48224 21.49580 1.00000 None parabolic box sum 91 85 8.75677 124.40560 105AlaH 105AlaN 4.88647e+07 2.88968e+08 28.70957 20.72824 1.00000 None parabolic box sum 92 88 8.62023 117.56249 106CysH 106CysN 6.25369e+07 3.20825e+08 27.35586 16.47594 1.00000 None parabolic box sum 93 89 8.90740 122.77120 107LysH 107LysN 7.06828e+07 3.58974e+08 25.34363 16.78995 1.00000 None parabolic box sum 94 96 9.53804 120.90388 110GlnH 110GlnN 4.73422e+07 2.79992e+08 28.70002 21.08486 1.00000 None parabolic box sum 95 95 8.67531 121.98957 111LysH 111LysN 5.79371e+07 2.98530e+08 23.66495 18.63290 1.00000 None parabolic box sum 96 94 7.90047 112.95790 112LysH 112LysN 6.54451e+07 3.61615e+08 22.65244 20.18609 1.00000 None parabolic box sum 97 93 7.54079 118.66493 113AspH 113AspN 9.69974e+07 5.09762e+08 22.98982 18.75177 1.00000 None parabolic box sum 98 79 8.38559 113.81560 114SerH 114SerN 8.18703e+07 3.92139e+08 21.80575 16.41819 1.00000 None parabolic box sum 99 80 8.67534 122.39399 115GlnH 115GlnN 6.71053e+07 3.73423e+08 24.77757 19.90875 1.00000 None parabolic box sum 100 82 8.00101 119.70917 116GlnH 116GlnN 1.09731e+08 5.26352e+08 21.46111 16.47945 1.00000 None parabolic box sum 101 83 7.80228 115.40249 117PheH 117PheN 8.90891e+07 4.54503e+08 26.03462 16.61178 1.00000 None parabolic box sum 102 166 9.02593 120.13077 118HisH 118HisN 9.80084e+06 6.04962e+07 30.43027 23.25387 1.00000 None parabolic box sum 103 173 7.17406 115.46649 119LeuH 119LeuN 8.87644e+07 5.01836e+08 23.51136 20.01760 1.00000 None parabolic box sum 104 98 9.07902 111.95523 120ValH 120ValN 6.69775e+07 3.93403e+08 27.26664 20.23726 1.00000 None parabolic box sum 105 120 8.81381 109.85783 122ValH 122ValN 4.14075e+07 2.30041e+08 32.86069 17.87312 1.00000 None parabolic box sum 106 117 7.34017 118.56815 123HisH 123HisN 5.96667e+07 3.35779e+08 25.73354 20.44529 1.00000 None parabolic box sum 107 159 9.13993 130.67085 124LeuH 124LeuN 5.22423e+06 3.57293e+07 40.47079 26.45579 1.00000 None parabolic box sum 108 113 8.78993 130.02099 125AspH 125AspN 4.75492e+07 2.57481e+08 27.97636 18.40686 1.00000 None parabolic box sum 109 112 7.43809 108.71107 126ArgH 126ArgN 7.11197e+07 3.50388e+08 23.53505 17.07003 1.00000 None parabolic box sum 110 111 8.18939 118.55234 127ValH 127ValN 8.48187e+07 4.67643e+08 24.68205 19.95697 1.00000 None parabolic box sum 111 110 8.20599 131.24082 128LeuH 128LeuN 8.30729e+07 4.47867e+08 24.32939 19.22542 1.00000 None parabolic box sum ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . folded 12 ppm . . . . . . 53717 1 2 . . N 15 15N . folded 30 ppm . . . . . . 53717 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53717 1 stop_ save_