data_30754 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30754 _Entry.Title ; NMR solution structure of Asterix/Gtsf1 from mouse (CHHC zinc finger domains) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-22 _Entry.Accession_date 2020-05-22 _Entry.Last_release_date 2020-06-29 _Entry.Original_release_date 2020-06-29 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Ipsaro J. J. . . 30754 2 P. O'Brien P. A. . . 30754 3 S. Bhattacharya S. . . . 30754 4 A. 'Palmer III' A. G. . . 30754 5 L. Joshua-Tor L. . . . 30754 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CHHC zinc finger' . 30754 'RNA BINDING PROTEIN' . 30754 'RNA binding' . 30754 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30754 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 30754 '15N chemical shifts' 80 30754 '1H chemical shifts' 485 30754 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 . . 2021-09-28 2020-05-22 update BMRB 'update entry citation' 30754 1 . . 2021-02-20 2020-05-22 original author 'original release' 30754 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6X46 'BMRB Entry Tracking System' 30754 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30754 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33789107 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Asterix/Gtsf1 links tRNAs and piRNA silencing of retrotransposons ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 34 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _Citation.Journal_CSD 0353 _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 108914 _Citation.Page_last 108914 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Ipsaro J. J. . . 30754 1 2 P. O'Brien P. A. . . 30754 1 3 S. Bhattacharya S. . . . 30754 1 4 A. 'Palmer III' A. G. . . 30754 1 5 L. Joshua-Tor L. . . . 30754 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30754 _Assembly.ID 1 _Assembly.Name 'Gametocyte-specific factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 unit_1 1 $entity_1 A A yes . . . . . . 30754 1 2 unit_2 2 $entity_ZN B A no . . . . . . 30754 1 3 unit_3 2 $entity_ZN C A no . . . . . . 30754 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 17 17 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 2 coordination single . 1 . 1 HIS 23 23 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 3 coordination single . 1 . 1 HIS 33 33 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 4 coordination single . 1 . 1 CYS 37 37 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 5 coordination single . 1 . 1 CYS 51 51 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 6 coordination single . 1 . 1 HIS 57 57 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 7 coordination single . 1 . 1 HIS 67 67 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 8 coordination single . 1 . 1 CYS 71 71 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 30754 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30754 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEDTYIDSLDPEKLLQCPYD KNHQIRASRFPYHLIKCRKN HPDVANKLATCPFNARHQVP RAEISHHISSCDDKSSIEQD VVNQTRNLGQETLAESTWQS PPSDEDWDKDLWEQTENLYF Q ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'C28S, C76S, C100S, C103S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14217.607 _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 'Protein FAM112B' common 30754 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 . 30754 1 2 . GLU . 30754 1 3 . ASP . 30754 1 4 . THR . 30754 1 5 . TYR . 30754 1 6 . ILE . 30754 1 7 . ASP . 30754 1 8 . SER . 30754 1 9 . LEU . 30754 1 10 . ASP . 30754 1 11 . PRO . 30754 1 12 . GLU . 30754 1 13 . LYS . 30754 1 14 . LEU . 30754 1 15 . LEU . 30754 1 16 . GLN . 30754 1 17 . CYS . 30754 1 18 . PRO . 30754 1 19 . TYR . 30754 1 20 . ASP . 30754 1 21 . LYS . 30754 1 22 . ASN . 30754 1 23 . HIS . 30754 1 24 . GLN . 30754 1 25 . ILE . 30754 1 26 . ARG . 30754 1 27 . ALA . 30754 1 28 . SER . 30754 1 29 . ARG . 30754 1 30 . PHE . 30754 1 31 . PRO . 30754 1 32 . TYR . 30754 1 33 . HIS . 30754 1 34 . LEU . 30754 1 35 . ILE . 30754 1 36 . LYS . 30754 1 37 . CYS . 30754 1 38 . ARG . 30754 1 39 . LYS . 30754 1 40 . ASN . 30754 1 41 . HIS . 30754 1 42 . PRO . 30754 1 43 . ASP . 30754 1 44 . VAL . 30754 1 45 . ALA . 30754 1 46 . ASN . 30754 1 47 . LYS . 30754 1 48 . LEU . 30754 1 49 . ALA . 30754 1 50 . THR . 30754 1 51 . CYS . 30754 1 52 . PRO . 30754 1 53 . PHE . 30754 1 54 . ASN . 30754 1 55 . ALA . 30754 1 56 . ARG . 30754 1 57 . HIS . 30754 1 58 . GLN . 30754 1 59 . VAL . 30754 1 60 . PRO . 30754 1 61 . ARG . 30754 1 62 . ALA . 30754 1 63 . GLU . 30754 1 64 . ILE . 30754 1 65 . SER . 30754 1 66 . HIS . 30754 1 67 . HIS . 30754 1 68 . ILE . 30754 1 69 . SER . 30754 1 70 . SER . 30754 1 71 . CYS . 30754 1 72 . ASP . 30754 1 73 . ASP . 30754 1 74 . LYS . 30754 1 75 . SER . 30754 1 76 . SER . 30754 1 77 . ILE . 30754 1 78 . GLU . 30754 1 79 . GLN . 30754 1 80 . ASP . 30754 1 81 . VAL . 30754 1 82 . VAL . 30754 1 83 . ASN . 30754 1 84 . GLN . 30754 1 85 . THR . 30754 1 86 . ARG . 30754 1 87 . ASN . 30754 1 88 . LEU . 30754 1 89 . GLY . 30754 1 90 . GLN . 30754 1 91 . GLU . 30754 1 92 . THR . 30754 1 93 . LEU . 30754 1 94 . ALA . 30754 1 95 . GLU . 30754 1 96 . SER . 30754 1 97 . THR . 30754 1 98 . TRP . 30754 1 99 . GLN . 30754 1 100 . SER . 30754 1 101 . PRO . 30754 1 102 . PRO . 30754 1 103 . SER . 30754 1 104 . ASP . 30754 1 105 . GLU . 30754 1 106 . ASP . 30754 1 107 . TRP . 30754 1 108 . ASP . 30754 1 109 . LYS . 30754 1 110 . ASP . 30754 1 111 . LEU . 30754 1 112 . TRP . 30754 1 113 . GLU . 30754 1 114 . GLN . 30754 1 115 . THR . 30754 1 116 . GLU . 30754 1 117 . ASN . 30754 1 118 . LEU . 30754 1 119 . TYR . 30754 1 120 . PHE . 30754 1 121 . GLN . 30754 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 30754 1 . GLU 2 2 30754 1 . ASP 3 3 30754 1 . THR 4 4 30754 1 . TYR 5 5 30754 1 . ILE 6 6 30754 1 . ASP 7 7 30754 1 . SER 8 8 30754 1 . LEU 9 9 30754 1 . ASP 10 10 30754 1 . PRO 11 11 30754 1 . GLU 12 12 30754 1 . LYS 13 13 30754 1 . LEU 14 14 30754 1 . LEU 15 15 30754 1 . GLN 16 16 30754 1 . CYS 17 17 30754 1 . PRO 18 18 30754 1 . TYR 19 19 30754 1 . ASP 20 20 30754 1 . LYS 21 21 30754 1 . ASN 22 22 30754 1 . HIS 23 23 30754 1 . GLN 24 24 30754 1 . ILE 25 25 30754 1 . ARG 26 26 30754 1 . ALA 27 27 30754 1 . SER 28 28 30754 1 . ARG 29 29 30754 1 . PHE 30 30 30754 1 . PRO 31 31 30754 1 . TYR 32 32 30754 1 . HIS 33 33 30754 1 . LEU 34 34 30754 1 . ILE 35 35 30754 1 . LYS 36 36 30754 1 . CYS 37 37 30754 1 . ARG 38 38 30754 1 . LYS 39 39 30754 1 . ASN 40 40 30754 1 . HIS 41 41 30754 1 . PRO 42 42 30754 1 . ASP 43 43 30754 1 . VAL 44 44 30754 1 . ALA 45 45 30754 1 . ASN 46 46 30754 1 . LYS 47 47 30754 1 . LEU 48 48 30754 1 . ALA 49 49 30754 1 . THR 50 50 30754 1 . CYS 51 51 30754 1 . PRO 52 52 30754 1 . PHE 53 53 30754 1 . ASN 54 54 30754 1 . ALA 55 55 30754 1 . ARG 56 56 30754 1 . HIS 57 57 30754 1 . GLN 58 58 30754 1 . VAL 59 59 30754 1 . PRO 60 60 30754 1 . ARG 61 61 30754 1 . ALA 62 62 30754 1 . GLU 63 63 30754 1 . ILE 64 64 30754 1 . SER 65 65 30754 1 . HIS 66 66 30754 1 . HIS 67 67 30754 1 . ILE 68 68 30754 1 . SER 69 69 30754 1 . SER 70 70 30754 1 . CYS 71 71 30754 1 . ASP 72 72 30754 1 . ASP 73 73 30754 1 . LYS 74 74 30754 1 . SER 75 75 30754 1 . SER 76 76 30754 1 . ILE 77 77 30754 1 . GLU 78 78 30754 1 . GLN 79 79 30754 1 . ASP 80 80 30754 1 . VAL 81 81 30754 1 . VAL 82 82 30754 1 . ASN 83 83 30754 1 . GLN 84 84 30754 1 . THR 85 85 30754 1 . ARG 86 86 30754 1 . ASN 87 87 30754 1 . LEU 88 88 30754 1 . GLY 89 89 30754 1 . GLN 90 90 30754 1 . GLU 91 91 30754 1 . THR 92 92 30754 1 . LEU 93 93 30754 1 . ALA 94 94 30754 1 . GLU 95 95 30754 1 . SER 96 96 30754 1 . THR 97 97 30754 1 . TRP 98 98 30754 1 . GLN 99 99 30754 1 . SER 100 100 30754 1 . PRO 101 101 30754 1 . PRO 102 102 30754 1 . SER 103 103 30754 1 . ASP 104 104 30754 1 . GLU 105 105 30754 1 . ASP 106 106 30754 1 . TRP 107 107 30754 1 . ASP 108 108 30754 1 . LYS 109 109 30754 1 . ASP 110 110 30754 1 . LEU 111 111 30754 1 . TRP 112 112 30754 1 . GLU 113 113 30754 1 . GLN 114 114 30754 1 . THR 115 115 30754 1 . GLU 116 116 30754 1 . ASN 117 117 30754 1 . LEU 118 118 30754 1 . TYR 119 119 30754 1 . PHE 120 120 30754 1 . GLN 121 121 30754 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30754 _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 30754 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 30754 2 ZN 'Three letter code' 30754 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 30754 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30754 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Gtsf1, Cue110, Fam112b' . 30754 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30754 _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' 'Spodoptera frugiperda' 'fall armyworm' . 7108 Spodoptera frugiperda . . CRL-1711 Bacmid . . pFL . . . 30754 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 30754 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 30754 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30754 ZN [Zn++] SMILES CACTVS 3.341 30754 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30754 ZN [Zn+2] SMILES ACDLabs 10.04 30754 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30754 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30754 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 30754 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30754 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30754 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30754 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N] Gtsf1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 Gtsf1 [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 30754 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 30754 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30754 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-13C; U-15N] Gtsf1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 Gtsf1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 30754 2 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 30754 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30754 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-13C; U-15N] Gtsf1, 100% D2O' _Sample.Aggregate_sample_number . _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 Gtsf1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 30754 3 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 30754 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30754 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 200 . mM 30754 1 pH 6.5 . pH 30754 1 pressure 1 . atm 30754 1 temperature 298 . K 30754 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30754 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, Bax' . . 30754 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30754 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30754 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, Markley' . . 30754 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30754 2 'peak picking' . 30754 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30754 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, Habeck, Rieping, Nilges' . . 30754 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30754 3 'structure calculation' . 30754 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30754 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 30754 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30754 4 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 30754 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30754 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30754 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30754 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30754 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 30754 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 30754 1 3 NMR_spectrometer_3 Bruker AVANCE . 800 . . . 30754 1 4 NMR_spectrometer_4 Bruker AVANCE . 900 . . . 30754 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30754 _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 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 3 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30754 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30754 1 5 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30754 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 7 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 8 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30754 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30754 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30754 1 12 '3D (H)C(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30754 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30754 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 30754 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.25144953 . . . . . 30754 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30754 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30754 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 30754 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 30754 1 2 '2D 1H-13C HSQC' . . . 30754 1 3 '3D HNCA' . . . 30754 1 4 '3D HN(CO)CA' . . . 30754 1 5 '3D HNCO' . . . 30754 1 6 '3D HN(CA)CO' . . . 30754 1 7 '3D HNCACB' . . . 30754 1 8 '3D HN(COCA)CB' . . . 30754 1 9 '3D HCCH-TOCSY' . . . 30754 1 10 '3D HBHA(CO)NH' . . . 30754 1 11 '3D H(CCO)NH' . . . 30754 1 12 '3D (H)C(CCO)NH' . . . 30754 1 13 '3D 1H-15N NOESY' . . . 30754 1 14 '3D 1H-13C NOESY' . . . 30754 1 15 '3D 1H-13C NOESY aromatic' . . . 30754 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLU HA H 1 4.358 0.020 . 1 . . . . A 2 GLU HA . 30754 1 2 . 1 . 1 2 2 GLU HB2 H 1 1.910 0.020 . 2 . . . . A 2 GLU HB2 . 30754 1 3 . 1 . 1 2 2 GLU HB3 H 1 2.062 0.020 . 2 . . . . A 2 GLU HB3 . 30754 1 4 . 1 . 1 2 2 GLU HG3 H 1 2.262 0.020 . 1 . . . . A 2 GLU HG3 . 30754 1 5 . 1 . 1 2 2 GLU C C 13 175.806 0.3 . 1 . . . . A 2 GLU C . 30754 1 6 . 1 . 1 2 2 GLU CA C 13 56.415 0.3 . 1 . . . . A 2 GLU CA . 30754 1 7 . 1 . 1 2 2 GLU CB C 13 30.364 0.3 . 1 . . . . A 2 GLU CB . 30754 1 8 . 1 . 1 3 3 ASP H H 1 8.539 0.020 . 1 . . . . A 3 ASP H . 30754 1 9 . 1 . 1 3 3 ASP HA H 1 4.578 0.020 . 1 . . . . A 3 ASP HA . 30754 1 10 . 1 . 1 3 3 ASP HB2 H 1 2.582 0.020 . 2 . . . . A 3 ASP HB2 . 30754 1 11 . 1 . 1 3 3 ASP HB3 H 1 2.634 0.020 . 2 . . . . A 3 ASP HB3 . 30754 1 12 . 1 . 1 3 3 ASP C C 13 176.175 0.3 . 1 . . . . A 3 ASP C . 30754 1 13 . 1 . 1 3 3 ASP CA C 13 54.528 0.3 . 1 . . . . A 3 ASP CA . 30754 1 14 . 1 . 1 3 3 ASP CB C 13 41.112 0.3 . 1 . . . . A 3 ASP CB . 30754 1 15 . 1 . 1 3 3 ASP N N 15 122.077 0.3 . 1 . . . . A 3 ASP N . 30754 1 16 . 1 . 1 4 4 THR H H 1 8.043 0.020 . 1 . . . . A 4 THR H . 30754 1 17 . 1 . 1 4 4 THR HA H 1 4.225 0.020 . 1 . . . . A 4 THR HA . 30754 1 18 . 1 . 1 4 4 THR HB H 1 4.111 0.020 . 1 . . . . A 4 THR HB . 30754 1 19 . 1 . 1 4 4 THR HG21 H 1 1.108 0.020 . 1 . . . . A 4 THR HG21 . 30754 1 20 . 1 . 1 4 4 THR HG22 H 1 1.108 0.020 . 1 . . . . A 4 THR HG22 . 30754 1 21 . 1 . 1 4 4 THR HG23 H 1 1.108 0.020 . 1 . . . . A 4 THR HG23 . 30754 1 22 . 1 . 1 4 4 THR C C 13 174.254 0.3 . 1 . . . . A 4 THR C . 30754 1 23 . 1 . 1 4 4 THR CA C 13 62.039 0.3 . 1 . . . . A 4 THR CA . 30754 1 24 . 1 . 1 4 4 THR CG2 C 13 21.670 0.3 . 1 . . . . A 4 THR CG2 . 30754 1 25 . 1 . 1 4 4 THR N N 15 114.128 0.3 . 1 . . . . A 4 THR N . 30754 1 26 . 1 . 1 5 5 TYR H H 1 8.256 0.020 . 1 . . . . A 5 TYR H . 30754 1 27 . 1 . 1 5 5 TYR HA H 1 4.501 0.020 . 1 . . . . A 5 TYR HA . 30754 1 28 . 1 . 1 5 5 TYR HB2 H 1 2.954 0.020 . 2 . . . . A 5 TYR HB2 . 30754 1 29 . 1 . 1 5 5 TYR HB3 H 1 2.983 0.020 . 2 . . . . A 5 TYR HB3 . 30754 1 30 . 1 . 1 5 5 TYR HD1 H 1 7.051 0.020 . 3 . . . . A 5 TYR HD1 . 30754 1 31 . 1 . 1 5 5 TYR HE1 H 1 6.766 0.020 . 3 . . . . A 5 TYR HE1 . 30754 1 32 . 1 . 1 5 5 TYR C C 13 175.627 0.3 . 1 . . . . A 5 TYR C . 30754 1 33 . 1 . 1 5 5 TYR CA C 13 58.274 0.3 . 1 . . . . A 5 TYR CA . 30754 1 34 . 1 . 1 5 5 TYR CB C 13 38.706 0.3 . 1 . . . . A 5 TYR CB . 30754 1 35 . 1 . 1 5 5 TYR CD1 C 13 133.195 0.3 . 3 . . . . A 5 TYR CD1 . 30754 1 36 . 1 . 1 5 5 TYR CE1 C 13 118.182 0.3 . 3 . . . . A 5 TYR CE1 . 30754 1 37 . 1 . 1 5 5 TYR N N 15 123.099 0.3 . 1 . . . . A 5 TYR N . 30754 1 38 . 1 . 1 6 6 ILE H H 1 7.894 0.020 . 1 . . . . A 6 ILE H . 30754 1 39 . 1 . 1 6 6 ILE HA H 1 4.007 0.020 . 1 . . . . A 6 ILE HA . 30754 1 40 . 1 . 1 6 6 ILE HB H 1 1.754 0.020 . 1 . . . . A 6 ILE HB . 30754 1 41 . 1 . 1 6 6 ILE HG12 H 1 1.104 0.020 . 2 . . . . A 6 ILE HG12 . 30754 1 42 . 1 . 1 6 6 ILE HG13 H 1 1.397 0.020 . 2 . . . . A 6 ILE HG13 . 30754 1 43 . 1 . 1 6 6 ILE HG21 H 1 0.826 0.020 . 1 . . . . A 6 ILE HG21 . 30754 1 44 . 1 . 1 6 6 ILE HG22 H 1 0.826 0.020 . 1 . . . . A 6 ILE HG22 . 30754 1 45 . 1 . 1 6 6 ILE HG23 H 1 0.826 0.020 . 1 . . . . A 6 ILE HG23 . 30754 1 46 . 1 . 1 6 6 ILE HD11 H 1 0.804 0.020 . 1 . . . . A 6 ILE HD11 . 30754 1 47 . 1 . 1 6 6 ILE HD12 H 1 0.804 0.020 . 1 . . . . A 6 ILE HD12 . 30754 1 48 . 1 . 1 6 6 ILE HD13 H 1 0.804 0.020 . 1 . . . . A 6 ILE HD13 . 30754 1 49 . 1 . 1 6 6 ILE C C 13 175.610 0.3 . 1 . . . . A 6 ILE C . 30754 1 50 . 1 . 1 6 6 ILE CA C 13 60.935 0.3 . 1 . . . . A 6 ILE CA . 30754 1 51 . 1 . 1 6 6 ILE CB C 13 38.898 0.3 . 1 . . . . A 6 ILE CB . 30754 1 52 . 1 . 1 6 6 ILE CG1 C 13 27.346 0.3 . 1 . . . . A 6 ILE CG1 . 30754 1 53 . 1 . 1 6 6 ILE CG2 C 13 17.423 0.3 . 1 . . . . A 6 ILE CG2 . 30754 1 54 . 1 . 1 6 6 ILE CD1 C 13 12.932 0.3 . 1 . . . . A 6 ILE CD1 . 30754 1 55 . 1 . 1 6 6 ILE N N 15 123.298 0.3 . 1 . . . . A 6 ILE N . 30754 1 56 . 1 . 1 7 7 ASP H H 1 8.259 0.020 . 1 . . . . A 7 ASP H . 30754 1 57 . 1 . 1 7 7 ASP HA H 1 4.506 0.020 . 1 . . . . A 7 ASP HA . 30754 1 58 . 1 . 1 7 7 ASP HB2 H 1 2.606 0.020 . 2 . . . . A 7 ASP HB2 . 30754 1 59 . 1 . 1 7 7 ASP HB3 H 1 2.677 0.020 . 2 . . . . A 7 ASP HB3 . 30754 1 60 . 1 . 1 7 7 ASP C C 13 176.283 0.3 . 1 . . . . A 7 ASP C . 30754 1 61 . 1 . 1 7 7 ASP CA C 13 54.498 0.3 . 1 . . . . A 7 ASP CA . 30754 1 62 . 1 . 1 7 7 ASP CB C 13 41.310 0.3 . 1 . . . . A 7 ASP CB . 30754 1 63 . 1 . 1 7 7 ASP N N 15 124.135 0.3 . 1 . . . . A 7 ASP N . 30754 1 64 . 1 . 1 8 8 SER H H 1 8.075 0.020 . 1 . . . . A 8 SER H . 30754 1 65 . 1 . 1 8 8 SER HA H 1 4.344 0.020 . 1 . . . . A 8 SER HA . 30754 1 66 . 1 . 1 8 8 SER HB2 H 1 3.799 0.020 . 2 . . . . A 8 SER HB2 . 30754 1 67 . 1 . 1 8 8 SER HB3 H 1 3.872 0.020 . 2 . . . . A 8 SER HB3 . 30754 1 68 . 1 . 1 8 8 SER C C 13 174.399 0.3 . 1 . . . . A 8 SER C . 30754 1 69 . 1 . 1 8 8 SER CA C 13 58.483 0.3 . 1 . . . . A 8 SER CA . 30754 1 70 . 1 . 1 8 8 SER CB C 13 63.730 0.3 . 1 . . . . A 8 SER CB . 30754 1 71 . 1 . 1 8 8 SER N N 15 115.932 0.3 . 1 . . . . A 8 SER N . 30754 1 72 . 1 . 1 9 9 LEU H H 1 8.127 0.020 . 1 . . . . A 9 LEU H . 30754 1 73 . 1 . 1 9 9 LEU HA H 1 4.299 0.020 . 1 . . . . A 9 LEU HA . 30754 1 74 . 1 . 1 9 9 LEU HB2 H 1 1.556 0.020 . 2 . . . . A 9 LEU HB2 . 30754 1 75 . 1 . 1 9 9 LEU HB3 H 1 1.618 0.020 . 2 . . . . A 9 LEU HB3 . 30754 1 76 . 1 . 1 9 9 LEU HD11 H 1 0.887 0.020 . 2 . . . . A 9 LEU HD11 . 30754 1 77 . 1 . 1 9 9 LEU HD12 H 1 0.887 0.020 . 2 . . . . A 9 LEU HD12 . 30754 1 78 . 1 . 1 9 9 LEU HD13 H 1 0.887 0.020 . 2 . . . . A 9 LEU HD13 . 30754 1 79 . 1 . 1 9 9 LEU HD21 H 1 0.816 0.020 . 2 . . . . A 9 LEU HD21 . 30754 1 80 . 1 . 1 9 9 LEU HD22 H 1 0.816 0.020 . 2 . . . . A 9 LEU HD22 . 30754 1 81 . 1 . 1 9 9 LEU HD23 H 1 0.816 0.020 . 2 . . . . A 9 LEU HD23 . 30754 1 82 . 1 . 1 9 9 LEU C C 13 176.874 0.3 . 1 . . . . A 9 LEU C . 30754 1 83 . 1 . 1 9 9 LEU CA C 13 55.127 0.3 . 1 . . . . A 9 LEU CA . 30754 1 84 . 1 . 1 9 9 LEU CB C 13 42.243 0.3 . 1 . . . . A 9 LEU CB . 30754 1 85 . 1 . 1 9 9 LEU CG C 13 26.979 0.3 . 1 . . . . A 9 LEU CG . 30754 1 86 . 1 . 1 9 9 LEU CD1 C 13 24.973 0.3 . 2 . . . . A 9 LEU CD1 . 30754 1 87 . 1 . 1 9 9 LEU CD2 C 13 23.472 0.3 . 2 . . . . A 9 LEU CD2 . 30754 1 88 . 1 . 1 9 9 LEU N N 15 123.348 0.3 . 1 . . . . A 9 LEU N . 30754 1 89 . 1 . 1 10 10 ASP H H 1 8.109 0.020 . 1 . . . . A 10 ASP H . 30754 1 90 . 1 . 1 10 10 ASP HA H 1 4.790 0.020 . 1 . . . . A 10 ASP HA . 30754 1 91 . 1 . 1 10 10 ASP HB2 H 1 2.498 0.020 . 2 . . . . A 10 ASP HB2 . 30754 1 92 . 1 . 1 10 10 ASP HB3 H 1 2.709 0.020 . 2 . . . . A 10 ASP HB3 . 30754 1 93 . 1 . 1 10 10 ASP CA C 13 52.278 0.3 . 1 . . . . A 10 ASP CA . 30754 1 94 . 1 . 1 10 10 ASP CB C 13 41.166 0.3 . 1 . . . . A 10 ASP CB . 30754 1 95 . 1 . 1 10 10 ASP N N 15 122.337 0.3 . 1 . . . . A 10 ASP N . 30754 1 96 . 1 . 1 11 11 PRO HA H 1 4.373 0.020 . 1 . . . . A 11 PRO HA . 30754 1 97 . 1 . 1 11 11 PRO HB2 H 1 1.946 0.020 . 2 . . . . A 11 PRO HB2 . 30754 1 98 . 1 . 1 11 11 PRO HB3 H 1 2.260 0.020 . 2 . . . . A 11 PRO HB3 . 30754 1 99 . 1 . 1 11 11 PRO HG3 H 1 1.994 0.020 . 2 . . . . A 11 PRO HG3 . 30754 1 100 . 1 . 1 11 11 PRO HD3 H 1 3.782 0.020 . 2 . . . . A 11 PRO HD3 . 30754 1 101 . 1 . 1 11 11 PRO CA C 13 63.616 0.3 . 1 . . . . A 11 PRO CA . 30754 1 102 . 1 . 1 11 11 PRO CB C 13 32.382 0.3 . 1 . . . . A 11 PRO CB . 30754 1 103 . 1 . 1 11 11 PRO CG C 13 27.247 0.3 . 1 . . . . A 11 PRO CG . 30754 1 104 . 1 . 1 11 11 PRO CD C 13 50.738 0.3 . 1 . . . . A 11 PRO CD . 30754 1 105 . 1 . 1 12 12 GLU H H 1 8.280 0.020 . 1 . . . . A 12 GLU H . 30754 1 106 . 1 . 1 12 12 GLU HA H 1 4.279 0.020 . 1 . . . . A 12 GLU HA . 30754 1 107 . 1 . 1 12 12 GLU HB2 H 1 1.916 0.020 . 2 . . . . A 12 GLU HB2 . 30754 1 108 . 1 . 1 12 12 GLU HB3 H 1 2.102 0.020 . 2 . . . . A 12 GLU HB3 . 30754 1 109 . 1 . 1 12 12 GLU HG2 H 1 2.297 0.020 . 2 . . . . A 12 GLU HG2 . 30754 1 110 . 1 . 1 12 12 GLU HG3 H 1 2.356 0.020 . 2 . . . . A 12 GLU HG3 . 30754 1 111 . 1 . 1 12 12 GLU C C 13 176.230 0.3 . 1 . . . . A 12 GLU C . 30754 1 112 . 1 . 1 12 12 GLU CA C 13 56.151 0.3 . 1 . . . . A 12 GLU CA . 30754 1 113 . 1 . 1 12 12 GLU CB C 13 30.785 0.3 . 1 . . . . A 12 GLU CB . 30754 1 114 . 1 . 1 12 12 GLU CG C 13 36.560 0.3 . 1 . . . . A 12 GLU CG . 30754 1 115 . 1 . 1 12 12 GLU N N 15 119.636 0.3 . 1 . . . . A 12 GLU N . 30754 1 116 . 1 . 1 13 13 LYS H H 1 8.021 0.020 . 1 . . . . A 13 LYS H . 30754 1 117 . 1 . 1 13 13 LYS HA H 1 4.063 0.020 . 1 . . . . A 13 LYS HA . 30754 1 118 . 1 . 1 13 13 LYS HB3 H 1 1.726 0.020 . 1 . . . . A 13 LYS HB3 . 30754 1 119 . 1 . 1 13 13 LYS HG2 H 1 1.352 0.020 . 2 . . . . A 13 LYS HG2 . 30754 1 120 . 1 . 1 13 13 LYS HG3 H 1 1.392 0.020 . 2 . . . . A 13 LYS HG3 . 30754 1 121 . 1 . 1 13 13 LYS HD3 H 1 1.639 0.020 . 2 . . . . A 13 LYS HD3 . 30754 1 122 . 1 . 1 13 13 LYS HE3 H 1 2.930 0.020 . 2 . . . . A 13 LYS HE3 . 30754 1 123 . 1 . 1 13 13 LYS C C 13 175.222 0.3 . 1 . . . . A 13 LYS C . 30754 1 124 . 1 . 1 13 13 LYS CA C 13 56.504 0.3 . 1 . . . . A 13 LYS CA . 30754 1 125 . 1 . 1 13 13 LYS CB C 13 33.337 0.3 . 1 . . . . A 13 LYS CB . 30754 1 126 . 1 . 1 13 13 LYS CG C 13 25.032 0.3 . 1 . . . . A 13 LYS CG . 30754 1 127 . 1 . 1 13 13 LYS CD C 13 29.131 0.3 . 1 . . . . A 13 LYS CD . 30754 1 128 . 1 . 1 13 13 LYS CE C 13 42.018 0.3 . 1 . . . . A 13 LYS CE . 30754 1 129 . 1 . 1 13 13 LYS N N 15 123.238 0.3 . 1 . . . . A 13 LYS N . 30754 1 130 . 1 . 1 14 14 LEU H H 1 8.205 0.020 . 1 . . . . A 14 LEU H . 30754 1 131 . 1 . 1 14 14 LEU HA H 1 4.389 0.020 . 1 . . . . A 14 LEU HA . 30754 1 132 . 1 . 1 14 14 LEU HB2 H 1 0.949 0.020 . 2 . . . . A 14 LEU HB2 . 30754 1 133 . 1 . 1 14 14 LEU HB3 H 1 1.627 0.020 . 2 . . . . A 14 LEU HB3 . 30754 1 134 . 1 . 1 14 14 LEU HG H 1 1.577 0.020 . 1 . . . . A 14 LEU HG . 30754 1 135 . 1 . 1 14 14 LEU HD11 H 1 0.787 0.020 . 2 . . . . A 14 LEU HD11 . 30754 1 136 . 1 . 1 14 14 LEU HD12 H 1 0.787 0.020 . 2 . . . . A 14 LEU HD12 . 30754 1 137 . 1 . 1 14 14 LEU HD13 H 1 0.787 0.020 . 2 . . . . A 14 LEU HD13 . 30754 1 138 . 1 . 1 14 14 LEU HD21 H 1 0.636 0.020 . 2 . . . . A 14 LEU HD21 . 30754 1 139 . 1 . 1 14 14 LEU HD22 H 1 0.636 0.020 . 2 . . . . A 14 LEU HD22 . 30754 1 140 . 1 . 1 14 14 LEU HD23 H 1 0.636 0.020 . 2 . . . . A 14 LEU HD23 . 30754 1 141 . 1 . 1 14 14 LEU C C 13 176.362 0.3 . 1 . . . . A 14 LEU C . 30754 1 142 . 1 . 1 14 14 LEU CA C 13 53.842 0.3 . 1 . . . . A 14 LEU CA . 30754 1 143 . 1 . 1 14 14 LEU CB C 13 42.947 0.3 . 1 . . . . A 14 LEU CB . 30754 1 144 . 1 . 1 14 14 LEU CG C 13 26.851 0.3 . 1 . . . . A 14 LEU CG . 30754 1 145 . 1 . 1 14 14 LEU CD1 C 13 25.337 0.3 . 2 . . . . A 14 LEU CD1 . 30754 1 146 . 1 . 1 14 14 LEU CD2 C 13 23.159 0.3 . 2 . . . . A 14 LEU CD2 . 30754 1 147 . 1 . 1 14 14 LEU N N 15 122.667 0.3 . 1 . . . . A 14 LEU N . 30754 1 148 . 1 . 1 15 15 LEU H H 1 8.997 0.020 . 1 . . . . A 15 LEU H . 30754 1 149 . 1 . 1 15 15 LEU HA H 1 4.369 0.020 . 1 . . . . A 15 LEU HA . 30754 1 150 . 1 . 1 15 15 LEU HB2 H 1 0.453 0.020 . 2 . . . . A 15 LEU HB2 . 30754 1 151 . 1 . 1 15 15 LEU HB3 H 1 0.892 0.020 . 2 . . . . A 15 LEU HB3 . 30754 1 152 . 1 . 1 15 15 LEU HG H 1 1.248 0.020 . 1 . . . . A 15 LEU HG . 30754 1 153 . 1 . 1 15 15 LEU HD11 H 1 0.419 0.020 . 2 . . . . A 15 LEU HD11 . 30754 1 154 . 1 . 1 15 15 LEU HD12 H 1 0.419 0.020 . 2 . . . . A 15 LEU HD12 . 30754 1 155 . 1 . 1 15 15 LEU HD13 H 1 0.419 0.020 . 2 . . . . A 15 LEU HD13 . 30754 1 156 . 1 . 1 15 15 LEU HD21 H 1 0.567 0.020 . 2 . . . . A 15 LEU HD21 . 30754 1 157 . 1 . 1 15 15 LEU HD22 H 1 0.567 0.020 . 2 . . . . A 15 LEU HD22 . 30754 1 158 . 1 . 1 15 15 LEU HD23 H 1 0.567 0.020 . 2 . . . . A 15 LEU HD23 . 30754 1 159 . 1 . 1 15 15 LEU CA C 13 52.979 0.3 . 1 . . . . A 15 LEU CA . 30754 1 160 . 1 . 1 15 15 LEU CB C 13 43.500 0.3 . 1 . . . . A 15 LEU CB . 30754 1 161 . 1 . 1 15 15 LEU CG C 13 27.018 0.3 . 1 . . . . A 15 LEU CG . 30754 1 162 . 1 . 1 15 15 LEU CD1 C 13 25.251 0.3 . 2 . . . . A 15 LEU CD1 . 30754 1 163 . 1 . 1 15 15 LEU CD2 C 13 22.934 0.3 . 2 . . . . A 15 LEU CD2 . 30754 1 164 . 1 . 1 15 15 LEU N N 15 124.650 0.3 . 1 . . . . A 15 LEU N . 30754 1 165 . 1 . 1 16 16 GLN H H 1 8.326 0.020 . 1 . . . . A 16 GLN H . 30754 1 166 . 1 . 1 16 16 GLN HA H 1 4.316 0.020 . 1 . . . . A 16 GLN HA . 30754 1 167 . 1 . 1 16 16 GLN HB3 H 1 2.000 0.020 . 2 . . . . A 16 GLN HB3 . 30754 1 168 . 1 . 1 16 16 GLN HG2 H 1 2.181 0.020 . 2 . . . . A 16 GLN HG2 . 30754 1 169 . 1 . 1 16 16 GLN HG3 H 1 2.274 0.020 . 2 . . . . A 16 GLN HG3 . 30754 1 170 . 1 . 1 16 16 GLN HE21 H 1 6.437 0.020 . 2 . . . . A 16 GLN HE21 . 30754 1 171 . 1 . 1 16 16 GLN HE22 H 1 8.016 0.020 . 2 . . . . A 16 GLN HE22 . 30754 1 172 . 1 . 1 16 16 GLN C C 13 175.173 0.3 . 1 . . . . A 16 GLN C . 30754 1 173 . 1 . 1 16 16 GLN CA C 13 54.518 0.3 . 1 . . . . A 16 GLN CA . 30754 1 174 . 1 . 1 16 16 GLN CB C 13 30.251 0.3 . 1 . . . . A 16 GLN CB . 30754 1 175 . 1 . 1 16 16 GLN CG C 13 33.512 0.3 . 1 . . . . A 16 GLN CG . 30754 1 176 . 1 . 1 16 16 GLN N N 15 120.896 0.3 . 1 . . . . A 16 GLN N . 30754 1 177 . 1 . 1 16 16 GLN NE2 N 15 117.919 0.3 . 1 . . . . A 16 GLN NE2 . 30754 1 178 . 1 . 1 17 17 CYS H H 1 8.373 0.020 . 1 . . . . A 17 CYS H . 30754 1 179 . 1 . 1 17 17 CYS HA H 1 4.655 0.020 . 1 . . . . A 17 CYS HA . 30754 1 180 . 1 . 1 17 17 CYS CA C 13 57.504 0.3 . 1 . . . . A 17 CYS CA . 30754 1 181 . 1 . 1 17 17 CYS N N 15 132.384 0.3 . 1 . . . . A 17 CYS N . 30754 1 182 . 1 . 1 18 18 PRO HA H 1 4.472 0.020 . 1 . . . . A 18 PRO HA . 30754 1 183 . 1 . 1 18 18 PRO HB2 H 1 1.457 0.020 . 2 . . . . A 18 PRO HB2 . 30754 1 184 . 1 . 1 18 18 PRO HB3 H 1 2.155 0.020 . 2 . . . . A 18 PRO HB3 . 30754 1 185 . 1 . 1 18 18 PRO HG2 H 1 1.048 0.020 . 2 . . . . A 18 PRO HG2 . 30754 1 186 . 1 . 1 18 18 PRO HG3 H 1 1.720 0.020 . 2 . . . . A 18 PRO HG3 . 30754 1 187 . 1 . 1 18 18 PRO HD2 H 1 3.901 0.020 . 2 . . . . A 18 PRO HD2 . 30754 1 188 . 1 . 1 18 18 PRO HD3 H 1 4.164 0.020 . 2 . . . . A 18 PRO HD3 . 30754 1 189 . 1 . 1 18 18 PRO C C 13 176.092 0.3 . 1 . . . . A 18 PRO C . 30754 1 190 . 1 . 1 18 18 PRO CA C 13 63.609 0.3 . 1 . . . . A 18 PRO CA . 30754 1 191 . 1 . 1 18 18 PRO CB C 13 32.526 0.3 . 1 . . . . A 18 PRO CB . 30754 1 192 . 1 . 1 18 18 PRO CG C 13 26.036 0.3 . 1 . . . . A 18 PRO CG . 30754 1 193 . 1 . 1 18 18 PRO CD C 13 51.306 0.3 . 1 . . . . A 18 PRO CD . 30754 1 194 . 1 . 1 19 19 TYR H H 1 8.804 0.020 . 1 . . . . A 19 TYR H . 30754 1 195 . 1 . 1 19 19 TYR HA H 1 4.150 0.020 . 1 . . . . A 19 TYR HA . 30754 1 196 . 1 . 1 19 19 TYR HB2 H 1 1.930 0.020 . 2 . . . . A 19 TYR HB2 . 30754 1 197 . 1 . 1 19 19 TYR HB3 H 1 2.960 0.020 . 2 . . . . A 19 TYR HB3 . 30754 1 198 . 1 . 1 19 19 TYR HD1 H 1 6.907 0.020 . 3 . . . . A 19 TYR HD1 . 30754 1 199 . 1 . 1 19 19 TYR HE1 H 1 6.637 0.020 . 3 . . . . A 19 TYR HE1 . 30754 1 200 . 1 . 1 19 19 TYR C C 13 175.495 0.3 . 1 . . . . A 19 TYR C . 30754 1 201 . 1 . 1 19 19 TYR CA C 13 59.352 0.3 . 1 . . . . A 19 TYR CA . 30754 1 202 . 1 . 1 19 19 TYR CB C 13 39.054 0.3 . 1 . . . . A 19 TYR CB . 30754 1 203 . 1 . 1 19 19 TYR CD1 C 13 132.481 0.3 . 3 . . . . A 19 TYR CD1 . 30754 1 204 . 1 . 1 19 19 TYR CE1 C 13 117.466 0.3 . 3 . . . . A 19 TYR CE1 . 30754 1 205 . 1 . 1 19 19 TYR N N 15 120.496 0.3 . 1 . . . . A 19 TYR N . 30754 1 206 . 1 . 1 20 20 ASP H H 1 7.192 0.020 . 1 . . . . A 20 ASP H . 30754 1 207 . 1 . 1 20 20 ASP HA H 1 4.375 0.020 . 1 . . . . A 20 ASP HA . 30754 1 208 . 1 . 1 20 20 ASP HB3 H 1 1.703 0.020 . 2 . . . . A 20 ASP HB3 . 30754 1 209 . 1 . 1 20 20 ASP C C 13 175.798 0.3 . 1 . . . . A 20 ASP C . 30754 1 210 . 1 . 1 20 20 ASP CA C 13 53.657 0.3 . 1 . . . . A 20 ASP CA . 30754 1 211 . 1 . 1 20 20 ASP CB C 13 42.256 0.3 . 1 . . . . A 20 ASP CB . 30754 1 212 . 1 . 1 20 20 ASP N N 15 119.845 0.3 . 1 . . . . A 20 ASP N . 30754 1 213 . 1 . 1 21 21 LYS H H 1 8.535 0.020 . 1 . . . . A 21 LYS H . 30754 1 214 . 1 . 1 21 21 LYS HA H 1 4.037 0.020 . 1 . . . . A 21 LYS HA . 30754 1 215 . 1 . 1 21 21 LYS HB2 H 1 1.699 0.020 . 2 . . . . A 21 LYS HB2 . 30754 1 216 . 1 . 1 21 21 LYS HB3 H 1 1.714 0.020 . 2 . . . . A 21 LYS HB3 . 30754 1 217 . 1 . 1 21 21 LYS HG2 H 1 1.265 0.020 . 2 . . . . A 21 LYS HG2 . 30754 1 218 . 1 . 1 21 21 LYS HG3 H 1 1.380 0.020 . 2 . . . . A 21 LYS HG3 . 30754 1 219 . 1 . 1 21 21 LYS HE3 H 1 2.905 0.020 . 2 . . . . A 21 LYS HE3 . 30754 1 220 . 1 . 1 21 21 LYS C C 13 176.976 0.3 . 1 . . . . A 21 LYS C . 30754 1 221 . 1 . 1 21 21 LYS CA C 13 58.136 0.3 . 1 . . . . A 21 LYS CA . 30754 1 222 . 1 . 1 21 21 LYS CB C 13 32.084 0.3 . 1 . . . . A 21 LYS CB . 30754 1 223 . 1 . 1 21 21 LYS CG C 13 24.168 0.3 . 1 . . . . A 21 LYS CG . 30754 1 224 . 1 . 1 21 21 LYS CD C 13 29.331 0.3 . 1 . . . . A 21 LYS CD . 30754 1 225 . 1 . 1 21 21 LYS CE C 13 42.264 0.3 . 1 . . . . A 21 LYS CE . 30754 1 226 . 1 . 1 21 21 LYS N N 15 126.364 0.3 . 1 . . . . A 21 LYS N . 30754 1 227 . 1 . 1 22 22 ASN H H 1 8.974 0.020 . 1 . . . . A 22 ASN H . 30754 1 228 . 1 . 1 22 22 ASN HA H 1 4.693 0.020 . 1 . . . . A 22 ASN HA . 30754 1 229 . 1 . 1 22 22 ASN HB2 H 1 2.641 0.020 . 2 . . . . A 22 ASN HB2 . 30754 1 230 . 1 . 1 22 22 ASN HB3 H 1 2.875 0.020 . 2 . . . . A 22 ASN HB3 . 30754 1 231 . 1 . 1 22 22 ASN HD21 H 1 6.973 0.020 . 2 . . . . A 22 ASN HD21 . 30754 1 232 . 1 . 1 22 22 ASN HD22 H 1 8.052 0.020 . 2 . . . . A 22 ASN HD22 . 30754 1 233 . 1 . 1 22 22 ASN C C 13 175.495 0.3 . 1 . . . . A 22 ASN C . 30754 1 234 . 1 . 1 22 22 ASN CA C 13 53.897 0.3 . 1 . . . . A 22 ASN CA . 30754 1 235 . 1 . 1 22 22 ASN CB C 13 38.831 0.3 . 1 . . . . A 22 ASN CB . 30754 1 236 . 1 . 1 22 22 ASN N N 15 116.078 0.3 . 1 . . . . A 22 ASN N . 30754 1 237 . 1 . 1 22 22 ASN ND2 N 15 115.849 0.3 . 1 . . . . A 22 ASN ND2 . 30754 1 238 . 1 . 1 23 23 HIS H H 1 7.764 0.020 . 1 . . . . A 23 HIS H . 30754 1 239 . 1 . 1 23 23 HIS HA H 1 4.904 0.020 . 1 . . . . A 23 HIS HA . 30754 1 240 . 1 . 1 23 23 HIS HB2 H 1 2.396 0.020 . 2 . . . . A 23 HIS HB2 . 30754 1 241 . 1 . 1 23 23 HIS HB3 H 1 3.716 0.020 . 2 . . . . A 23 HIS HB3 . 30754 1 242 . 1 . 1 23 23 HIS HD2 H 1 6.764 0.020 . 1 . . . . A 23 HIS HD2 . 30754 1 243 . 1 . 1 23 23 HIS HE1 H 1 7.270 0.020 . 1 . . . . A 23 HIS HE1 . 30754 1 244 . 1 . 1 23 23 HIS C C 13 172.767 0.3 . 1 . . . . A 23 HIS C . 30754 1 245 . 1 . 1 23 23 HIS CA C 13 53.221 0.3 . 1 . . . . A 23 HIS CA . 30754 1 246 . 1 . 1 23 23 HIS CB C 13 32.708 0.3 . 1 . . . . A 23 HIS CB . 30754 1 247 . 1 . 1 23 23 HIS CD2 C 13 116.190 0.3 . 1 . . . . A 23 HIS CD2 . 30754 1 248 . 1 . 1 23 23 HIS CE1 C 13 141.020 0.3 . 1 . . . . A 23 HIS CE1 . 30754 1 249 . 1 . 1 23 23 HIS N N 15 119.470 0.3 . 1 . . . . A 23 HIS N . 30754 1 250 . 1 . 1 24 24 GLN H H 1 8.110 0.020 . 1 . . . . A 24 GLN H . 30754 1 251 . 1 . 1 24 24 GLN HA H 1 4.886 0.020 . 1 . . . . A 24 GLN HA . 30754 1 252 . 1 . 1 24 24 GLN HB2 H 1 1.681 0.020 . 2 . . . . A 24 GLN HB2 . 30754 1 253 . 1 . 1 24 24 GLN HB3 H 1 1.995 0.020 . 2 . . . . A 24 GLN HB3 . 30754 1 254 . 1 . 1 24 24 GLN HG2 H 1 2.179 0.020 . 2 . . . . A 24 GLN HG2 . 30754 1 255 . 1 . 1 24 24 GLN HG3 H 1 2.200 0.020 . 2 . . . . A 24 GLN HG3 . 30754 1 256 . 1 . 1 24 24 GLN HE21 H 1 7.576 0.020 . 2 . . . . A 24 GLN HE21 . 30754 1 257 . 1 . 1 24 24 GLN HE22 H 1 6.650 0.020 . 2 . . . . A 24 GLN HE22 . 30754 1 258 . 1 . 1 24 24 GLN C C 13 174.561 0.3 . 1 . . . . A 24 GLN C . 30754 1 259 . 1 . 1 24 24 GLN CA C 13 55.554 0.3 . 1 . . . . A 24 GLN CA . 30754 1 260 . 1 . 1 24 24 GLN CB C 13 29.703 0.3 . 1 . . . . A 24 GLN CB . 30754 1 261 . 1 . 1 24 24 GLN CG C 13 33.667 0.3 . 1 . . . . A 24 GLN CG . 30754 1 262 . 1 . 1 24 24 GLN N N 15 125.310 0.3 . 1 . . . . A 24 GLN N . 30754 1 263 . 1 . 1 24 24 GLN NE2 N 15 112.174 0.3 . 1 . . . . A 24 GLN NE2 . 30754 1 264 . 1 . 1 25 25 ILE H H 1 8.923 0.020 . 1 . . . . A 25 ILE H . 30754 1 265 . 1 . 1 25 25 ILE HA H 1 4.393 0.020 . 1 . . . . A 25 ILE HA . 30754 1 266 . 1 . 1 25 25 ILE HB H 1 1.879 0.020 . 1 . . . . A 25 ILE HB . 30754 1 267 . 1 . 1 25 25 ILE HG12 H 1 0.424 0.020 . 2 . . . . A 25 ILE HG12 . 30754 1 268 . 1 . 1 25 25 ILE HG13 H 1 1.113 0.020 . 2 . . . . A 25 ILE HG13 . 30754 1 269 . 1 . 1 25 25 ILE HG21 H 1 1.067 0.020 . 1 . . . . A 25 ILE HG21 . 30754 1 270 . 1 . 1 25 25 ILE HG22 H 1 1.067 0.020 . 1 . . . . A 25 ILE HG22 . 30754 1 271 . 1 . 1 25 25 ILE HG23 H 1 1.067 0.020 . 1 . . . . A 25 ILE HG23 . 30754 1 272 . 1 . 1 25 25 ILE HD11 H 1 0.218 0.020 . 1 . . . . A 25 ILE HD11 . 30754 1 273 . 1 . 1 25 25 ILE HD12 H 1 0.218 0.020 . 1 . . . . A 25 ILE HD12 . 30754 1 274 . 1 . 1 25 25 ILE HD13 H 1 0.218 0.020 . 1 . . . . A 25 ILE HD13 . 30754 1 275 . 1 . 1 25 25 ILE C C 13 175.586 0.3 . 1 . . . . A 25 ILE C . 30754 1 276 . 1 . 1 25 25 ILE CA C 13 57.283 0.3 . 1 . . . . A 25 ILE CA . 30754 1 277 . 1 . 1 25 25 ILE CB C 13 40.178 0.3 . 1 . . . . A 25 ILE CB . 30754 1 278 . 1 . 1 25 25 ILE CG1 C 13 26.723 0.3 . 1 . . . . A 25 ILE CG1 . 30754 1 279 . 1 . 1 25 25 ILE CG2 C 13 17.487 0.3 . 1 . . . . A 25 ILE CG2 . 30754 1 280 . 1 . 1 25 25 ILE CD1 C 13 9.901 0.3 . 1 . . . . A 25 ILE CD1 . 30754 1 281 . 1 . 1 25 25 ILE N N 15 124.948 0.3 . 1 . . . . A 25 ILE N . 30754 1 282 . 1 . 1 26 26 ARG H H 1 8.815 0.020 . 1 . . . . A 26 ARG H . 30754 1 283 . 1 . 1 26 26 ARG HA H 1 4.255 0.020 . 1 . . . . A 26 ARG HA . 30754 1 284 . 1 . 1 26 26 ARG HB2 H 1 1.664 0.020 . 2 . . . . A 26 ARG HB2 . 30754 1 285 . 1 . 1 26 26 ARG HB3 H 1 1.913 0.020 . 2 . . . . A 26 ARG HB3 . 30754 1 286 . 1 . 1 26 26 ARG HG2 H 1 1.667 0.020 . 2 . . . . A 26 ARG HG2 . 30754 1 287 . 1 . 1 26 26 ARG HG3 H 1 1.766 0.020 . 2 . . . . A 26 ARG HG3 . 30754 1 288 . 1 . 1 26 26 ARG HD2 H 1 3.137 0.020 . 2 . . . . A 26 ARG HD2 . 30754 1 289 . 1 . 1 26 26 ARG C C 13 178.977 0.3 . 1 . . . . A 26 ARG C . 30754 1 290 . 1 . 1 26 26 ARG CA C 13 57.248 0.3 . 1 . . . . A 26 ARG CA . 30754 1 291 . 1 . 1 26 26 ARG CB C 13 30.566 0.3 . 1 . . . . A 26 ARG CB . 30754 1 292 . 1 . 1 26 26 ARG CG C 13 27.744 0.3 . 1 . . . . A 26 ARG CG . 30754 1 293 . 1 . 1 26 26 ARG CD C 13 43.465 0.3 . 1 . . . . A 26 ARG CD . 30754 1 294 . 1 . 1 26 26 ARG N N 15 128.064 0.3 . 1 . . . . A 26 ARG N . 30754 1 295 . 1 . 1 27 27 ALA H H 1 8.781 0.020 . 1 . . . . A 27 ALA H . 30754 1 296 . 1 . 1 27 27 ALA HA H 1 3.871 0.020 . 1 . . . . A 27 ALA HA . 30754 1 297 . 1 . 1 27 27 ALA HB1 H 1 1.477 0.020 . 1 . . . . A 27 ALA HB1 . 30754 1 298 . 1 . 1 27 27 ALA HB2 H 1 1.477 0.020 . 1 . . . . A 27 ALA HB2 . 30754 1 299 . 1 . 1 27 27 ALA HB3 H 1 1.477 0.020 . 1 . . . . A 27 ALA HB3 . 30754 1 300 . 1 . 1 27 27 ALA C C 13 180.439 0.3 . 1 . . . . A 27 ALA C . 30754 1 301 . 1 . 1 27 27 ALA CA C 13 56.696 0.3 . 1 . . . . A 27 ALA CA . 30754 1 302 . 1 . 1 27 27 ALA CB C 13 18.595 0.3 . 1 . . . . A 27 ALA CB . 30754 1 303 . 1 . 1 27 27 ALA N N 15 125.788 0.3 . 1 . . . . A 27 ALA N . 30754 1 304 . 1 . 1 28 28 SER H H 1 8.898 0.020 . 1 . . . . A 28 SER H . 30754 1 305 . 1 . 1 28 28 SER HA H 1 4.204 0.020 . 1 . . . . A 28 SER HA . 30754 1 306 . 1 . 1 28 28 SER HB2 H 1 3.857 0.020 . 2 . . . . A 28 SER HB2 . 30754 1 307 . 1 . 1 28 28 SER HB3 H 1 3.962 0.020 . 2 . . . . A 28 SER HB3 . 30754 1 308 . 1 . 1 28 28 SER C C 13 176.279 0.3 . 1 . . . . A 28 SER C . 30754 1 309 . 1 . 1 28 28 SER CA C 13 61.190 0.3 . 1 . . . . A 28 SER CA . 30754 1 310 . 1 . 1 28 28 SER CB C 13 62.888 0.3 . 1 . . . . A 28 SER CB . 30754 1 311 . 1 . 1 28 28 SER N N 15 111.284 0.3 . 1 . . . . A 28 SER N . 30754 1 312 . 1 . 1 29 29 ARG H H 1 7.765 0.020 . 1 . . . . A 29 ARG H . 30754 1 313 . 1 . 1 29 29 ARG HA H 1 4.728 0.020 . 1 . . . . A 29 ARG HA . 30754 1 314 . 1 . 1 29 29 ARG HB2 H 1 1.811 0.020 . 2 . . . . A 29 ARG HB2 . 30754 1 315 . 1 . 1 29 29 ARG HB3 H 1 2.270 0.020 . 2 . . . . A 29 ARG HB3 . 30754 1 316 . 1 . 1 29 29 ARG HG2 H 1 1.663 0.020 . 2 . . . . A 29 ARG HG2 . 30754 1 317 . 1 . 1 29 29 ARG HG3 H 1 1.778 0.020 . 2 . . . . A 29 ARG HG3 . 30754 1 318 . 1 . 1 29 29 ARG HD2 H 1 3.145 0.020 . 2 . . . . A 29 ARG HD2 . 30754 1 319 . 1 . 1 29 29 ARG HE H 1 7.197 0.020 . 1 . . . . A 29 ARG HE . 30754 1 320 . 1 . 1 29 29 ARG C C 13 176.832 0.3 . 1 . . . . A 29 ARG C . 30754 1 321 . 1 . 1 29 29 ARG CA C 13 54.625 0.3 . 1 . . . . A 29 ARG CA . 30754 1 322 . 1 . 1 29 29 ARG CB C 13 30.821 0.3 . 1 . . . . A 29 ARG CB . 30754 1 323 . 1 . 1 29 29 ARG CG C 13 26.737 0.3 . 1 . . . . A 29 ARG CG . 30754 1 324 . 1 . 1 29 29 ARG CD C 13 42.733 0.3 . 1 . . . . A 29 ARG CD . 30754 1 325 . 1 . 1 29 29 ARG N N 15 119.484 0.3 . 1 . . . . A 29 ARG N . 30754 1 326 . 1 . 1 29 29 ARG NE N 15 85.596 0.3 . 1 . . . . A 29 ARG NE . 30754 1 327 . 1 . 1 30 30 PHE H H 1 7.984 0.020 . 1 . . . . A 30 PHE H . 30754 1 328 . 1 . 1 30 30 PHE HA H 1 4.323 0.020 . 1 . . . . A 30 PHE HA . 30754 1 329 . 1 . 1 30 30 PHE HB2 H 1 3.037 0.020 . 2 . . . . A 30 PHE HB2 . 30754 1 330 . 1 . 1 30 30 PHE HB3 H 1 3.232 0.020 . 2 . . . . A 30 PHE HB3 . 30754 1 331 . 1 . 1 30 30 PHE HD1 H 1 6.867 0.020 . 3 . . . . A 30 PHE HD1 . 30754 1 332 . 1 . 1 30 30 PHE HZ H 1 6.860 0.020 . 1 . . . . A 30 PHE HZ . 30754 1 333 . 1 . 1 30 30 PHE CA C 13 63.484 0.3 . 1 . . . . A 30 PHE CA . 30754 1 334 . 1 . 1 30 30 PHE CB C 13 38.441 0.3 . 1 . . . . A 30 PHE CB . 30754 1 335 . 1 . 1 30 30 PHE CD1 C 13 131.857 0.3 . 3 . . . . A 30 PHE CD1 . 30754 1 336 . 1 . 1 30 30 PHE N N 15 123.555 0.3 . 1 . . . . A 30 PHE N . 30754 1 337 . 1 . 1 31 31 PRO HA H 1 4.030 0.020 . 1 . . . . A 31 PRO HA . 30754 1 338 . 1 . 1 31 31 PRO HB2 H 1 1.550 0.020 . 2 . . . . A 31 PRO HB2 . 30754 1 339 . 1 . 1 31 31 PRO HB3 H 1 2.285 0.020 . 2 . . . . A 31 PRO HB3 . 30754 1 340 . 1 . 1 31 31 PRO HG2 H 1 2.012 0.020 . 2 . . . . A 31 PRO HG2 . 30754 1 341 . 1 . 1 31 31 PRO HG3 H 1 2.047 0.020 . 2 . . . . A 31 PRO HG3 . 30754 1 342 . 1 . 1 31 31 PRO HD2 H 1 3.699 0.020 . 2 . . . . A 31 PRO HD2 . 30754 1 343 . 1 . 1 31 31 PRO HD3 H 1 4.034 0.020 . 2 . . . . A 31 PRO HD3 . 30754 1 344 . 1 . 1 31 31 PRO C C 13 178.854 0.3 . 1 . . . . A 31 PRO C . 30754 1 345 . 1 . 1 31 31 PRO CA C 13 66.592 0.3 . 1 . . . . A 31 PRO CA . 30754 1 346 . 1 . 1 31 31 PRO CB C 13 30.933 0.3 . 1 . . . . A 31 PRO CB . 30754 1 347 . 1 . 1 31 31 PRO CG C 13 28.869 0.3 . 1 . . . . A 31 PRO CG . 30754 1 348 . 1 . 1 31 31 PRO CD C 13 50.156 0.3 . 1 . . . . A 31 PRO CD . 30754 1 349 . 1 . 1 32 32 TYR H H 1 7.071 0.020 . 1 . . . . A 32 TYR H . 30754 1 350 . 1 . 1 32 32 TYR HA H 1 4.155 0.020 . 1 . . . . A 32 TYR HA . 30754 1 351 . 1 . 1 32 32 TYR HB2 H 1 3.039 0.020 . 2 . . . . A 32 TYR HB2 . 30754 1 352 . 1 . 1 32 32 TYR HB3 H 1 3.120 0.020 . 2 . . . . A 32 TYR HB3 . 30754 1 353 . 1 . 1 32 32 TYR HD1 H 1 7.092 0.020 . 3 . . . . A 32 TYR HD1 . 30754 1 354 . 1 . 1 32 32 TYR HE1 H 1 6.861 0.020 . 3 . . . . A 32 TYR HE1 . 30754 1 355 . 1 . 1 32 32 TYR C C 13 178.037 0.3 . 1 . . . . A 32 TYR C . 30754 1 356 . 1 . 1 32 32 TYR CA C 13 60.072 0.3 . 1 . . . . A 32 TYR CA . 30754 1 357 . 1 . 1 32 32 TYR CB C 13 37.833 0.3 . 1 . . . . A 32 TYR CB . 30754 1 358 . 1 . 1 32 32 TYR CD1 C 13 132.956 0.3 . 3 . . . . A 32 TYR CD1 . 30754 1 359 . 1 . 1 32 32 TYR CE1 C 13 118.394 0.3 . 3 . . . . A 32 TYR CE1 . 30754 1 360 . 1 . 1 32 32 TYR N N 15 115.244 0.3 . 1 . . . . A 32 TYR N . 30754 1 361 . 1 . 1 33 33 HIS H H 1 8.258 0.020 . 1 . . . . A 33 HIS H . 30754 1 362 . 1 . 1 33 33 HIS HA H 1 3.995 0.020 . 1 . . . . A 33 HIS HA . 30754 1 363 . 1 . 1 33 33 HIS HB3 H 1 3.284 0.020 . 2 . . . . A 33 HIS HB3 . 30754 1 364 . 1 . 1 33 33 HIS HD2 H 1 6.640 0.020 . 1 . . . . A 33 HIS HD2 . 30754 1 365 . 1 . 1 33 33 HIS HE1 H 1 7.260 0.020 . 1 . . . . A 33 HIS HE1 . 30754 1 366 . 1 . 1 33 33 HIS C C 13 176.663 0.3 . 1 . . . . A 33 HIS C . 30754 1 367 . 1 . 1 33 33 HIS CA C 13 60.286 0.3 . 1 . . . . A 33 HIS CA . 30754 1 368 . 1 . 1 33 33 HIS CB C 13 29.003 0.3 . 1 . . . . A 33 HIS CB . 30754 1 369 . 1 . 1 33 33 HIS CD2 C 13 126.821 0.3 . 1 . . . . A 33 HIS CD2 . 30754 1 370 . 1 . 1 33 33 HIS CE1 C 13 139.844 0.3 . 1 . . . . A 33 HIS CE1 . 30754 1 371 . 1 . 1 33 33 HIS N N 15 119.157 0.3 . 1 . . . . A 33 HIS N . 30754 1 372 . 1 . 1 34 34 LEU H H 1 8.172 0.020 . 1 . . . . A 34 LEU H . 30754 1 373 . 1 . 1 34 34 LEU HA H 1 3.639 0.020 . 1 . . . . A 34 LEU HA . 30754 1 374 . 1 . 1 34 34 LEU HB2 H 1 1.396 0.020 . 2 . . . . A 34 LEU HB2 . 30754 1 375 . 1 . 1 34 34 LEU HB3 H 1 1.528 0.020 . 2 . . . . A 34 LEU HB3 . 30754 1 376 . 1 . 1 34 34 LEU HG H 1 1.177 0.020 . 1 . . . . A 34 LEU HG . 30754 1 377 . 1 . 1 34 34 LEU HD11 H 1 0.554 0.020 . 2 . . . . A 34 LEU HD11 . 30754 1 378 . 1 . 1 34 34 LEU HD12 H 1 0.554 0.020 . 2 . . . . A 34 LEU HD12 . 30754 1 379 . 1 . 1 34 34 LEU HD13 H 1 0.554 0.020 . 2 . . . . A 34 LEU HD13 . 30754 1 380 . 1 . 1 34 34 LEU HD21 H 1 0.658 0.020 . 2 . . . . A 34 LEU HD21 . 30754 1 381 . 1 . 1 34 34 LEU HD22 H 1 0.658 0.020 . 2 . . . . A 34 LEU HD22 . 30754 1 382 . 1 . 1 34 34 LEU HD23 H 1 0.658 0.020 . 2 . . . . A 34 LEU HD23 . 30754 1 383 . 1 . 1 34 34 LEU C C 13 177.972 0.3 . 1 . . . . A 34 LEU C . 30754 1 384 . 1 . 1 34 34 LEU CA C 13 58.387 0.3 . 1 . . . . A 34 LEU CA . 30754 1 385 . 1 . 1 34 34 LEU CB C 13 41.689 0.3 . 1 . . . . A 34 LEU CB . 30754 1 386 . 1 . 1 34 34 LEU CG C 13 26.185 0.3 . 1 . . . . A 34 LEU CG . 30754 1 387 . 1 . 1 34 34 LEU CD1 C 13 25.415 0.3 . 2 . . . . A 34 LEU CD1 . 30754 1 388 . 1 . 1 34 34 LEU CD2 C 13 23.412 0.3 . 2 . . . . A 34 LEU CD2 . 30754 1 389 . 1 . 1 34 34 LEU N N 15 116.680 0.3 . 1 . . . . A 34 LEU N . 30754 1 390 . 1 . 1 35 35 ILE H H 1 6.850 0.020 . 1 . . . . A 35 ILE H . 30754 1 391 . 1 . 1 35 35 ILE HA H 1 3.470 0.020 . 1 . . . . A 35 ILE HA . 30754 1 392 . 1 . 1 35 35 ILE HB H 1 1.764 0.020 . 1 . . . . A 35 ILE HB . 30754 1 393 . 1 . 1 35 35 ILE HG12 H 1 1.113 0.020 . 2 . . . . A 35 ILE HG12 . 30754 1 394 . 1 . 1 35 35 ILE HG13 H 1 1.695 0.020 . 2 . . . . A 35 ILE HG13 . 30754 1 395 . 1 . 1 35 35 ILE HG21 H 1 0.820 0.020 . 1 . . . . A 35 ILE HG21 . 30754 1 396 . 1 . 1 35 35 ILE HG22 H 1 0.820 0.020 . 1 . . . . A 35 ILE HG22 . 30754 1 397 . 1 . 1 35 35 ILE HG23 H 1 0.820 0.020 . 1 . . . . A 35 ILE HG23 . 30754 1 398 . 1 . 1 35 35 ILE HD11 H 1 0.841 0.020 . 1 . . . . A 35 ILE HD11 . 30754 1 399 . 1 . 1 35 35 ILE HD12 H 1 0.841 0.020 . 1 . . . . A 35 ILE HD12 . 30754 1 400 . 1 . 1 35 35 ILE HD13 H 1 0.841 0.020 . 1 . . . . A 35 ILE HD13 . 30754 1 401 . 1 . 1 35 35 ILE C C 13 178.059 0.3 . 1 . . . . A 35 ILE C . 30754 1 402 . 1 . 1 35 35 ILE CA C 13 64.710 0.3 . 1 . . . . A 35 ILE CA . 30754 1 403 . 1 . 1 35 35 ILE CB C 13 38.247 0.3 . 1 . . . . A 35 ILE CB . 30754 1 404 . 1 . 1 35 35 ILE CG1 C 13 28.855 0.3 . 1 . . . . A 35 ILE CG1 . 30754 1 405 . 1 . 1 35 35 ILE CG2 C 13 17.135 0.3 . 1 . . . . A 35 ILE CG2 . 30754 1 406 . 1 . 1 35 35 ILE CD1 C 13 13.310 0.3 . 1 . . . . A 35 ILE CD1 . 30754 1 407 . 1 . 1 35 35 ILE N N 15 115.920 0.3 . 1 . . . . A 35 ILE N . 30754 1 408 . 1 . 1 36 36 LYS H H 1 6.825 0.020 . 1 . . . . A 36 LYS H . 30754 1 409 . 1 . 1 36 36 LYS HA H 1 3.849 0.020 . 1 . . . . A 36 LYS HA . 30754 1 410 . 1 . 1 36 36 LYS HB2 H 1 1.577 0.020 . 2 . . . . A 36 LYS HB2 . 30754 1 411 . 1 . 1 36 36 LYS HB3 H 1 1.589 0.020 . 2 . . . . A 36 LYS HB3 . 30754 1 412 . 1 . 1 36 36 LYS HG2 H 1 1.167 0.020 . 2 . . . . A 36 LYS HG2 . 30754 1 413 . 1 . 1 36 36 LYS HG3 H 1 1.298 0.020 . 2 . . . . A 36 LYS HG3 . 30754 1 414 . 1 . 1 36 36 LYS HD3 H 1 1.590 0.020 . 2 . . . . A 36 LYS HD3 . 30754 1 415 . 1 . 1 36 36 LYS HE3 H 1 2.837 0.020 . 2 . . . . A 36 LYS HE3 . 30754 1 416 . 1 . 1 36 36 LYS C C 13 178.150 0.3 . 1 . . . . A 36 LYS C . 30754 1 417 . 1 . 1 36 36 LYS CA C 13 58.481 0.3 . 1 . . . . A 36 LYS CA . 30754 1 418 . 1 . 1 36 36 LYS CB C 13 32.575 0.3 . 1 . . . . A 36 LYS CB . 30754 1 419 . 1 . 1 36 36 LYS CG C 13 24.704 0.3 . 1 . . . . A 36 LYS CG . 30754 1 420 . 1 . 1 36 36 LYS CD C 13 29.203 0.3 . 1 . . . . A 36 LYS CD . 30754 1 421 . 1 . 1 36 36 LYS CE C 13 42.016 0.3 . 1 . . . . A 36 LYS CE . 30754 1 422 . 1 . 1 36 36 LYS N N 15 117.791 0.3 . 1 . . . . A 36 LYS N . 30754 1 423 . 1 . 1 37 37 CYS H H 1 8.773 0.020 . 1 . . . . A 37 CYS H . 30754 1 424 . 1 . 1 37 37 CYS HA H 1 3.926 0.020 . 1 . . . . A 37 CYS HA . 30754 1 425 . 1 . 1 37 37 CYS HB2 H 1 2.092 0.020 . 2 . . . . A 37 CYS HB2 . 30754 1 426 . 1 . 1 37 37 CYS HB3 H 1 2.536 0.020 . 2 . . . . A 37 CYS HB3 . 30754 1 427 . 1 . 1 37 37 CYS CA C 13 64.632 0.3 . 1 . . . . A 37 CYS CA . 30754 1 428 . 1 . 1 37 37 CYS CB C 13 28.924 0.3 . 1 . . . . A 37 CYS CB . 30754 1 429 . 1 . 1 37 37 CYS N N 15 122.352 0.3 . 1 . . . . A 37 CYS N . 30754 1 430 . 1 . 1 38 38 ARG H H 1 8.300 0.020 . 1 . . . . A 38 ARG H . 30754 1 431 . 1 . 1 38 38 ARG HA H 1 2.929 0.020 . 1 . . . . A 38 ARG HA . 30754 1 432 . 1 . 1 38 38 ARG HB3 H 1 1.684 0.020 . 2 . . . . A 38 ARG HB3 . 30754 1 433 . 1 . 1 38 38 ARG C C 13 179.003 0.3 . 1 . . . . A 38 ARG C . 30754 1 434 . 1 . 1 38 38 ARG CA C 13 59.243 0.3 . 1 . . . . A 38 ARG CA . 30754 1 435 . 1 . 1 38 38 ARG CB C 13 30.768 0.3 . 1 . . . . A 38 ARG CB . 30754 1 436 . 1 . 1 38 38 ARG CG C 13 27.043 0.3 . 1 . . . . A 38 ARG CG . 30754 1 437 . 1 . 1 38 38 ARG CD C 13 44.437 0.3 . 1 . . . . A 38 ARG CD . 30754 1 438 . 1 . 1 38 38 ARG N N 15 119.403 0.3 . 1 . . . . A 38 ARG N . 30754 1 439 . 1 . 1 39 39 LYS H H 1 6.753 0.020 . 1 . . . . A 39 LYS H . 30754 1 440 . 1 . 1 39 39 LYS HA H 1 3.853 0.020 . 1 . . . . A 39 LYS HA . 30754 1 441 . 1 . 1 39 39 LYS HB2 H 1 1.770 0.020 . 2 . . . . A 39 LYS HB2 . 30754 1 442 . 1 . 1 39 39 LYS HB3 H 1 1.788 0.020 . 2 . . . . A 39 LYS HB3 . 30754 1 443 . 1 . 1 39 39 LYS HG2 H 1 1.354 0.020 . 2 . . . . A 39 LYS HG2 . 30754 1 444 . 1 . 1 39 39 LYS HG3 H 1 1.545 0.020 . 2 . . . . A 39 LYS HG3 . 30754 1 445 . 1 . 1 39 39 LYS HD3 H 1 1.615 0.020 . 2 . . . . A 39 LYS HD3 . 30754 1 446 . 1 . 1 39 39 LYS HE3 H 1 2.911 0.020 . 2 . . . . A 39 LYS HE3 . 30754 1 447 . 1 . 1 39 39 LYS C C 13 177.424 0.3 . 1 . . . . A 39 LYS C . 30754 1 448 . 1 . 1 39 39 LYS CA C 13 58.330 0.3 . 1 . . . . A 39 LYS CA . 30754 1 449 . 1 . 1 39 39 LYS CB C 13 32.140 0.3 . 1 . . . . A 39 LYS CB . 30754 1 450 . 1 . 1 39 39 LYS CG C 13 25.228 0.3 . 1 . . . . A 39 LYS CG . 30754 1 451 . 1 . 1 39 39 LYS CD C 13 29.196 0.3 . 1 . . . . A 39 LYS CD . 30754 1 452 . 1 . 1 39 39 LYS CE C 13 42.202 0.3 . 1 . . . . A 39 LYS CE . 30754 1 453 . 1 . 1 39 39 LYS N N 15 117.575 0.3 . 1 . . . . A 39 LYS N . 30754 1 454 . 1 . 1 40 40 ASN H H 1 7.284 0.020 . 1 . . . . A 40 ASN H . 30754 1 455 . 1 . 1 40 40 ASN HA H 1 4.643 0.020 . 1 . . . . A 40 ASN HA . 30754 1 456 . 1 . 1 40 40 ASN HB2 H 1 2.617 0.020 . 2 . . . . A 40 ASN HB2 . 30754 1 457 . 1 . 1 40 40 ASN HB3 H 1 2.674 0.020 . 2 . . . . A 40 ASN HB3 . 30754 1 458 . 1 . 1 40 40 ASN HD21 H 1 7.613 0.020 . 2 . . . . A 40 ASN HD21 . 30754 1 459 . 1 . 1 40 40 ASN HD22 H 1 6.830 0.020 . 2 . . . . A 40 ASN HD22 . 30754 1 460 . 1 . 1 40 40 ASN C C 13 174.165 0.3 . 1 . . . . A 40 ASN C . 30754 1 461 . 1 . 1 40 40 ASN CA C 13 52.728 0.3 . 1 . . . . A 40 ASN CA . 30754 1 462 . 1 . 1 40 40 ASN CB C 13 38.943 0.3 . 1 . . . . A 40 ASN CB . 30754 1 463 . 1 . 1 40 40 ASN N N 15 113.794 0.3 . 1 . . . . A 40 ASN N . 30754 1 464 . 1 . 1 40 40 ASN ND2 N 15 112.372 0.3 . 1 . . . . A 40 ASN ND2 . 30754 1 465 . 1 . 1 41 41 HIS H H 1 7.345 0.020 . 1 . . . . A 41 HIS H . 30754 1 466 . 1 . 1 41 41 HIS HA H 1 5.000 0.020 . 1 . . . . A 41 HIS HA . 30754 1 467 . 1 . 1 41 41 HIS HB2 H 1 2.547 0.020 . 2 . . . . A 41 HIS HB2 . 30754 1 468 . 1 . 1 41 41 HIS HB3 H 1 3.300 0.020 . 2 . . . . A 41 HIS HB3 . 30754 1 469 . 1 . 1 41 41 HIS CA C 13 54.308 0.3 . 1 . . . . A 41 HIS CA . 30754 1 470 . 1 . 1 41 41 HIS CB C 13 29.347 0.3 . 1 . . . . A 41 HIS CB . 30754 1 471 . 1 . 1 41 41 HIS N N 15 117.438 0.3 . 1 . . . . A 41 HIS N . 30754 1 472 . 1 . 1 42 42 PRO HA H 1 4.309 0.020 . 1 . . . . A 42 PRO HA . 30754 1 473 . 1 . 1 42 42 PRO HB2 H 1 1.985 0.020 . 2 . . . . A 42 PRO HB2 . 30754 1 474 . 1 . 1 42 42 PRO HB3 H 1 2.216 0.020 . 2 . . . . A 42 PRO HB3 . 30754 1 475 . 1 . 1 42 42 PRO HD2 H 1 3.322 0.020 . 2 . . . . A 42 PRO HD2 . 30754 1 476 . 1 . 1 42 42 PRO HD3 H 1 3.504 0.020 . 2 . . . . A 42 PRO HD3 . 30754 1 477 . 1 . 1 42 42 PRO C C 13 177.330 0.3 . 1 . . . . A 42 PRO C . 30754 1 478 . 1 . 1 42 42 PRO CA C 13 65.089 0.3 . 1 . . . . A 42 PRO CA . 30754 1 479 . 1 . 1 42 42 PRO CB C 13 31.639 0.3 . 1 . . . . A 42 PRO CB . 30754 1 480 . 1 . 1 42 42 PRO CG C 13 27.514 0.3 . 1 . . . . A 42 PRO CG . 30754 1 481 . 1 . 1 42 42 PRO CD C 13 50.500 0.3 . 1 . . . . A 42 PRO CD . 30754 1 482 . 1 . 1 43 43 ASP H H 1 8.609 0.020 . 1 . . . . A 43 ASP H . 30754 1 483 . 1 . 1 43 43 ASP HA H 1 4.485 0.020 . 1 . . . . A 43 ASP HA . 30754 1 484 . 1 . 1 43 43 ASP HB2 H 1 2.673 0.020 . 2 . . . . A 43 ASP HB2 . 30754 1 485 . 1 . 1 43 43 ASP HB3 H 1 2.754 0.020 . 2 . . . . A 43 ASP HB3 . 30754 1 486 . 1 . 1 43 43 ASP C C 13 177.230 0.3 . 1 . . . . A 43 ASP C . 30754 1 487 . 1 . 1 43 43 ASP CA C 13 55.645 0.3 . 1 . . . . A 43 ASP CA . 30754 1 488 . 1 . 1 43 43 ASP CB C 13 40.024 0.3 . 1 . . . . A 43 ASP CB . 30754 1 489 . 1 . 1 43 43 ASP N N 15 117.161 0.3 . 1 . . . . A 43 ASP N . 30754 1 490 . 1 . 1 44 44 VAL H H 1 7.656 0.020 . 1 . . . . A 44 VAL H . 30754 1 491 . 1 . 1 44 44 VAL HA H 1 4.111 0.020 . 1 . . . . A 44 VAL HA . 30754 1 492 . 1 . 1 44 44 VAL HB H 1 2.229 0.020 . 1 . . . . A 44 VAL HB . 30754 1 493 . 1 . 1 44 44 VAL HG11 H 1 1.102 0.020 . 2 . . . . A 44 VAL HG11 . 30754 1 494 . 1 . 1 44 44 VAL HG12 H 1 1.102 0.020 . 2 . . . . A 44 VAL HG12 . 30754 1 495 . 1 . 1 44 44 VAL HG13 H 1 1.102 0.020 . 2 . . . . A 44 VAL HG13 . 30754 1 496 . 1 . 1 44 44 VAL HG21 H 1 1.093 0.020 . 2 . . . . A 44 VAL HG21 . 30754 1 497 . 1 . 1 44 44 VAL HG22 H 1 1.093 0.020 . 2 . . . . A 44 VAL HG22 . 30754 1 498 . 1 . 1 44 44 VAL HG23 H 1 1.093 0.020 . 2 . . . . A 44 VAL HG23 . 30754 1 499 . 1 . 1 44 44 VAL C C 13 177.729 0.3 . 1 . . . . A 44 VAL C . 30754 1 500 . 1 . 1 44 44 VAL CA C 13 63.732 0.3 . 1 . . . . A 44 VAL CA . 30754 1 501 . 1 . 1 44 44 VAL CB C 13 33.283 0.3 . 1 . . . . A 44 VAL CB . 30754 1 502 . 1 . 1 44 44 VAL CG1 C 13 21.325 0.3 . 2 . . . . A 44 VAL CG1 . 30754 1 503 . 1 . 1 44 44 VAL CG2 C 13 21.935 0.3 . 2 . . . . A 44 VAL CG2 . 30754 1 504 . 1 . 1 44 44 VAL N N 15 118.396 0.3 . 1 . . . . A 44 VAL N . 30754 1 505 . 1 . 1 45 45 ALA H H 1 8.403 0.020 . 1 . . . . A 45 ALA H . 30754 1 506 . 1 . 1 45 45 ALA HA H 1 4.291 0.020 . 1 . . . . A 45 ALA HA . 30754 1 507 . 1 . 1 45 45 ALA HB1 H 1 1.354 0.020 . 1 . . . . A 45 ALA HB1 . 30754 1 508 . 1 . 1 45 45 ALA HB2 H 1 1.354 0.020 . 1 . . . . A 45 ALA HB2 . 30754 1 509 . 1 . 1 45 45 ALA HB3 H 1 1.354 0.020 . 1 . . . . A 45 ALA HB3 . 30754 1 510 . 1 . 1 45 45 ALA C C 13 177.214 0.3 . 1 . . . . A 45 ALA C . 30754 1 511 . 1 . 1 45 45 ALA CA C 13 53.956 0.3 . 1 . . . . A 45 ALA CA . 30754 1 512 . 1 . 1 45 45 ALA CB C 13 19.593 0.3 . 1 . . . . A 45 ALA CB . 30754 1 513 . 1 . 1 45 45 ALA N N 15 123.230 0.3 . 1 . . . . A 45 ALA N . 30754 1 514 . 1 . 1 46 46 ASN H H 1 7.794 0.020 . 1 . . . . A 46 ASN H . 30754 1 515 . 1 . 1 46 46 ASN HA H 1 4.585 0.020 . 1 . . . . A 46 ASN HA . 30754 1 516 . 1 . 1 46 46 ASN HB3 H 1 2.864 0.020 . 2 . . . . A 46 ASN HB3 . 30754 1 517 . 1 . 1 46 46 ASN HD21 H 1 7.528 0.020 . 2 . . . . A 46 ASN HD21 . 30754 1 518 . 1 . 1 46 46 ASN HD22 H 1 6.851 0.020 . 2 . . . . A 46 ASN HD22 . 30754 1 519 . 1 . 1 46 46 ASN C C 13 175.342 0.3 . 1 . . . . A 46 ASN C . 30754 1 520 . 1 . 1 46 46 ASN CA C 13 53.570 0.3 . 1 . . . . A 46 ASN CA . 30754 1 521 . 1 . 1 46 46 ASN CB C 13 38.456 0.3 . 1 . . . . A 46 ASN CB . 30754 1 522 . 1 . 1 46 46 ASN N N 15 113.304 0.3 . 1 . . . . A 46 ASN N . 30754 1 523 . 1 . 1 46 46 ASN ND2 N 15 111.944 0.3 . 1 . . . . A 46 ASN ND2 . 30754 1 524 . 1 . 1 47 47 LYS H H 1 7.507 0.020 . 1 . . . . A 47 LYS H . 30754 1 525 . 1 . 1 47 47 LYS HA H 1 4.402 0.020 . 1 . . . . A 47 LYS HA . 30754 1 526 . 1 . 1 47 47 LYS HB2 H 1 1.823 0.020 . 2 . . . . A 47 LYS HB2 . 30754 1 527 . 1 . 1 47 47 LYS HB3 H 1 1.930 0.020 . 2 . . . . A 47 LYS HB3 . 30754 1 528 . 1 . 1 47 47 LYS HG2 H 1 1.450 0.020 . 2 . . . . A 47 LYS HG2 . 30754 1 529 . 1 . 1 47 47 LYS HG3 H 1 1.523 0.020 . 2 . . . . A 47 LYS HG3 . 30754 1 530 . 1 . 1 47 47 LYS HD3 H 1 1.694 0.020 . 2 . . . . A 47 LYS HD3 . 30754 1 531 . 1 . 1 47 47 LYS HE3 H 1 3.026 0.020 . 2 . . . . A 47 LYS HE3 . 30754 1 532 . 1 . 1 47 47 LYS CA C 13 55.766 0.3 . 1 . . . . A 47 LYS CA . 30754 1 533 . 1 . 1 47 47 LYS CB C 13 32.411 0.3 . 1 . . . . A 47 LYS CB . 30754 1 534 . 1 . 1 47 47 LYS CG C 13 24.774 0.3 . 1 . . . . A 47 LYS CG . 30754 1 535 . 1 . 1 47 47 LYS N N 15 120.321 0.3 . 1 . . . . A 47 LYS N . 30754 1 536 . 1 . 1 48 48 LEU H H 1 8.382 0.020 . 1 . . . . A 48 LEU H . 30754 1 537 . 1 . 1 48 48 LEU HA H 1 4.572 0.020 . 1 . . . . A 48 LEU HA . 30754 1 538 . 1 . 1 48 48 LEU HB2 H 1 1.114 0.020 . 2 . . . . A 48 LEU HB2 . 30754 1 539 . 1 . 1 48 48 LEU HB3 H 1 1.683 0.020 . 2 . . . . A 48 LEU HB3 . 30754 1 540 . 1 . 1 48 48 LEU HG H 1 1.586 0.020 . 1 . . . . A 48 LEU HG . 30754 1 541 . 1 . 1 48 48 LEU HD11 H 1 0.759 0.020 . 2 . . . . A 48 LEU HD11 . 30754 1 542 . 1 . 1 48 48 LEU HD12 H 1 0.759 0.020 . 2 . . . . A 48 LEU HD12 . 30754 1 543 . 1 . 1 48 48 LEU HD13 H 1 0.759 0.020 . 2 . . . . A 48 LEU HD13 . 30754 1 544 . 1 . 1 48 48 LEU HD21 H 1 0.565 0.020 . 2 . . . . A 48 LEU HD21 . 30754 1 545 . 1 . 1 48 48 LEU HD22 H 1 0.565 0.020 . 2 . . . . A 48 LEU HD22 . 30754 1 546 . 1 . 1 48 48 LEU HD23 H 1 0.565 0.020 . 2 . . . . A 48 LEU HD23 . 30754 1 547 . 1 . 1 48 48 LEU C C 13 176.141 0.3 . 1 . . . . A 48 LEU C . 30754 1 548 . 1 . 1 48 48 LEU CA C 13 54.585 0.3 . 1 . . . . A 48 LEU CA . 30754 1 549 . 1 . 1 48 48 LEU CB C 13 43.907 0.3 . 1 . . . . A 48 LEU CB . 30754 1 550 . 1 . 1 48 48 LEU CG C 13 26.725 0.3 . 1 . . . . A 48 LEU CG . 30754 1 551 . 1 . 1 48 48 LEU CD1 C 13 25.583 0.3 . 2 . . . . A 48 LEU CD1 . 30754 1 552 . 1 . 1 48 48 LEU CD2 C 13 22.341 0.3 . 2 . . . . A 48 LEU CD2 . 30754 1 553 . 1 . 1 48 48 LEU N N 15 124.083 0.3 . 1 . . . . A 48 LEU N . 30754 1 554 . 1 . 1 49 49 ALA H H 1 9.289 0.020 . 1 . . . . A 49 ALA H . 30754 1 555 . 1 . 1 49 49 ALA HA H 1 4.638 0.020 . 1 . . . . A 49 ALA HA . 30754 1 556 . 1 . 1 49 49 ALA HB1 H 1 1.245 0.020 . 1 . . . . A 49 ALA HB1 . 30754 1 557 . 1 . 1 49 49 ALA HB2 H 1 1.245 0.020 . 1 . . . . A 49 ALA HB2 . 30754 1 558 . 1 . 1 49 49 ALA HB3 H 1 1.245 0.020 . 1 . . . . A 49 ALA HB3 . 30754 1 559 . 1 . 1 49 49 ALA C C 13 175.424 0.3 . 1 . . . . A 49 ALA C . 30754 1 560 . 1 . 1 49 49 ALA CA C 13 50.422 0.3 . 1 . . . . A 49 ALA CA . 30754 1 561 . 1 . 1 49 49 ALA CB C 13 22.468 0.3 . 1 . . . . A 49 ALA CB . 30754 1 562 . 1 . 1 49 49 ALA N N 15 124.617 0.3 . 1 . . . . A 49 ALA N . 30754 1 563 . 1 . 1 50 50 THR H H 1 8.389 0.020 . 1 . . . . A 50 THR H . 30754 1 564 . 1 . 1 50 50 THR HA H 1 4.491 0.020 . 1 . . . . A 50 THR HA . 30754 1 565 . 1 . 1 50 50 THR HB H 1 3.826 0.020 . 1 . . . . A 50 THR HB . 30754 1 566 . 1 . 1 50 50 THR HG21 H 1 1.241 0.020 . 1 . . . . A 50 THR HG21 . 30754 1 567 . 1 . 1 50 50 THR HG22 H 1 1.241 0.020 . 1 . . . . A 50 THR HG22 . 30754 1 568 . 1 . 1 50 50 THR HG23 H 1 1.241 0.020 . 1 . . . . A 50 THR HG23 . 30754 1 569 . 1 . 1 50 50 THR C C 13 173.356 0.3 . 1 . . . . A 50 THR C . 30754 1 570 . 1 . 1 50 50 THR CA C 13 62.012 0.3 . 1 . . . . A 50 THR CA . 30754 1 571 . 1 . 1 50 50 THR CB C 13 70.099 0.3 . 1 . . . . A 50 THR CB . 30754 1 572 . 1 . 1 50 50 THR CG2 C 13 22.150 0.3 . 1 . . . . A 50 THR CG2 . 30754 1 573 . 1 . 1 50 50 THR N N 15 116.153 0.3 . 1 . . . . A 50 THR N . 30754 1 574 . 1 . 1 51 51 CYS H H 1 8.221 0.020 . 1 . . . . A 51 CYS H . 30754 1 575 . 1 . 1 51 51 CYS HA H 1 4.158 0.020 . 1 . . . . A 51 CYS HA . 30754 1 576 . 1 . 1 51 51 CYS CA C 13 56.738 0.3 . 1 . . . . A 51 CYS CA . 30754 1 577 . 1 . 1 51 51 CYS N N 15 131.392 0.3 . 1 . . . . A 51 CYS N . 30754 1 578 . 1 . 1 52 52 PRO HA H 1 4.285 0.020 . 1 . . . . A 52 PRO HA . 30754 1 579 . 1 . 1 52 52 PRO HB2 H 1 1.365 0.020 . 2 . . . . A 52 PRO HB2 . 30754 1 580 . 1 . 1 52 52 PRO HB3 H 1 2.001 0.020 . 2 . . . . A 52 PRO HB3 . 30754 1 581 . 1 . 1 52 52 PRO HG2 H 1 0.634 0.020 . 2 . . . . A 52 PRO HG2 . 30754 1 582 . 1 . 1 52 52 PRO HG3 H 1 1.561 0.020 . 2 . . . . A 52 PRO HG3 . 30754 1 583 . 1 . 1 52 52 PRO HD3 H 1 3.453 0.020 . 2 . . . . A 52 PRO HD3 . 30754 1 584 . 1 . 1 52 52 PRO C C 13 176.439 0.3 . 1 . . . . A 52 PRO C . 30754 1 585 . 1 . 1 52 52 PRO CA C 13 63.657 0.3 . 1 . . . . A 52 PRO CA . 30754 1 586 . 1 . 1 52 52 PRO CB C 13 31.771 0.3 . 1 . . . . A 52 PRO CB . 30754 1 587 . 1 . 1 52 52 PRO CG C 13 25.826 0.3 . 1 . . . . A 52 PRO CG . 30754 1 588 . 1 . 1 52 52 PRO CD C 13 50.684 0.3 . 1 . . . . A 52 PRO CD . 30754 1 589 . 1 . 1 53 53 PHE H H 1 8.844 0.020 . 1 . . . . A 53 PHE H . 30754 1 590 . 1 . 1 53 53 PHE HA H 1 4.715 0.020 . 1 . . . . A 53 PHE HA . 30754 1 591 . 1 . 1 53 53 PHE HB2 H 1 3.082 0.020 . 2 . . . . A 53 PHE HB2 . 30754 1 592 . 1 . 1 53 53 PHE HB3 H 1 3.119 0.020 . 2 . . . . A 53 PHE HB3 . 30754 1 593 . 1 . 1 53 53 PHE HD1 H 1 7.359 0.020 . 3 . . . . A 53 PHE HD1 . 30754 1 594 . 1 . 1 53 53 PHE HE1 H 1 7.518 0.020 . 3 . . . . A 53 PHE HE1 . 30754 1 595 . 1 . 1 53 53 PHE C C 13 176.040 0.3 . 1 . . . . A 53 PHE C . 30754 1 596 . 1 . 1 53 53 PHE CA C 13 57.188 0.3 . 1 . . . . A 53 PHE CA . 30754 1 597 . 1 . 1 53 53 PHE CB C 13 39.377 0.3 . 1 . . . . A 53 PHE CB . 30754 1 598 . 1 . 1 53 53 PHE CD1 C 13 131.757 0.3 . 3 . . . . A 53 PHE CD1 . 30754 1 599 . 1 . 1 53 53 PHE CE1 C 13 131.757 0.3 . 3 . . . . A 53 PHE CE1 . 30754 1 600 . 1 . 1 53 53 PHE N N 15 121.632 0.3 . 1 . . . . A 53 PHE N . 30754 1 601 . 1 . 1 54 54 ASN H H 1 7.553 0.020 . 1 . . . . A 54 ASN H . 30754 1 602 . 1 . 1 54 54 ASN HA H 1 4.382 0.020 . 1 . . . . A 54 ASN HA . 30754 1 603 . 1 . 1 54 54 ASN HB2 H 1 1.798 0.020 . 2 . . . . A 54 ASN HB2 . 30754 1 604 . 1 . 1 54 54 ASN HB3 H 1 2.268 0.020 . 2 . . . . A 54 ASN HB3 . 30754 1 605 . 1 . 1 54 54 ASN C C 13 174.555 0.3 . 1 . . . . A 54 ASN C . 30754 1 606 . 1 . 1 54 54 ASN CA C 13 52.851 0.3 . 1 . . . . A 54 ASN CA . 30754 1 607 . 1 . 1 54 54 ASN CB C 13 37.963 0.3 . 1 . . . . A 54 ASN CB . 30754 1 608 . 1 . 1 54 54 ASN N N 15 119.255 0.3 . 1 . . . . A 54 ASN N . 30754 1 609 . 1 . 1 55 55 ALA H H 1 8.720 0.020 . 1 . . . . A 55 ALA H . 30754 1 610 . 1 . 1 55 55 ALA HA H 1 4.056 0.020 . 1 . . . . A 55 ALA HA . 30754 1 611 . 1 . 1 55 55 ALA HB1 H 1 1.343 0.020 . 1 . . . . A 55 ALA HB1 . 30754 1 612 . 1 . 1 55 55 ALA HB2 H 1 1.343 0.020 . 1 . . . . A 55 ALA HB2 . 30754 1 613 . 1 . 1 55 55 ALA HB3 H 1 1.343 0.020 . 1 . . . . A 55 ALA HB3 . 30754 1 614 . 1 . 1 55 55 ALA C C 13 177.828 0.3 . 1 . . . . A 55 ALA C . 30754 1 615 . 1 . 1 55 55 ALA CA C 13 53.897 0.3 . 1 . . . . A 55 ALA CA . 30754 1 616 . 1 . 1 55 55 ALA CB C 13 18.213 0.3 . 1 . . . . A 55 ALA CB . 30754 1 617 . 1 . 1 55 55 ALA N N 15 127.491 0.3 . 1 . . . . A 55 ALA N . 30754 1 618 . 1 . 1 56 56 ARG H H 1 8.161 0.020 . 1 . . . . A 56 ARG H . 30754 1 619 . 1 . 1 56 56 ARG HA H 1 4.149 0.020 . 1 . . . . A 56 ARG HA . 30754 1 620 . 1 . 1 56 56 ARG HB2 H 1 1.598 0.020 . 2 . . . . A 56 ARG HB2 . 30754 1 621 . 1 . 1 56 56 ARG HB3 H 1 1.925 0.020 . 2 . . . . A 56 ARG HB3 . 30754 1 622 . 1 . 1 56 56 ARG HG2 H 1 1.595 0.020 . 2 . . . . A 56 ARG HG2 . 30754 1 623 . 1 . 1 56 56 ARG HG3 H 1 1.678 0.020 . 2 . . . . A 56 ARG HG3 . 30754 1 624 . 1 . 1 56 56 ARG HD3 H 1 3.178 0.020 . 2 . . . . A 56 ARG HD3 . 30754 1 625 . 1 . 1 56 56 ARG HE H 1 7.208 0.020 . 1 . . . . A 56 ARG HE . 30754 1 626 . 1 . 1 56 56 ARG C C 13 177.607 0.3 . 1 . . . . A 56 ARG C . 30754 1 627 . 1 . 1 56 56 ARG CA C 13 56.763 0.3 . 1 . . . . A 56 ARG CA . 30754 1 628 . 1 . 1 56 56 ARG CB C 13 29.708 0.3 . 1 . . . . A 56 ARG CB . 30754 1 629 . 1 . 1 56 56 ARG CG C 13 27.812 0.3 . 1 . . . . A 56 ARG CG . 30754 1 630 . 1 . 1 56 56 ARG CD C 13 43.210 0.3 . 1 . . . . A 56 ARG CD . 30754 1 631 . 1 . 1 56 56 ARG N N 15 114.336 0.3 . 1 . . . . A 56 ARG N . 30754 1 632 . 1 . 1 56 56 ARG NE N 15 85.788 0.3 . 1 . . . . A 56 ARG NE . 30754 1 633 . 1 . 1 57 57 HIS H H 1 8.078 0.020 . 1 . . . . A 57 HIS H . 30754 1 634 . 1 . 1 57 57 HIS HA H 1 4.781 0.020 . 1 . . . . A 57 HIS HA . 30754 1 635 . 1 . 1 57 57 HIS HB2 H 1 2.292 0.020 . 2 . . . . A 57 HIS HB2 . 30754 1 636 . 1 . 1 57 57 HIS HB3 H 1 3.677 0.020 . 2 . . . . A 57 HIS HB3 . 30754 1 637 . 1 . 1 57 57 HIS HD2 H 1 6.716 0.020 . 1 . . . . A 57 HIS HD2 . 30754 1 638 . 1 . 1 57 57 HIS HE1 H 1 7.586 0.020 . 1 . . . . A 57 HIS HE1 . 30754 1 639 . 1 . 1 57 57 HIS C C 13 172.937 0.3 . 1 . . . . A 57 HIS C . 30754 1 640 . 1 . 1 57 57 HIS CA C 13 53.163 0.3 . 1 . . . . A 57 HIS CA . 30754 1 641 . 1 . 1 57 57 HIS CB C 13 31.281 0.3 . 1 . . . . A 57 HIS CB . 30754 1 642 . 1 . 1 57 57 HIS CD2 C 13 115.832 0.3 . 1 . . . . A 57 HIS CD2 . 30754 1 643 . 1 . 1 57 57 HIS CE1 C 13 140.200 0.3 . 1 . . . . A 57 HIS CE1 . 30754 1 644 . 1 . 1 57 57 HIS N N 15 119.897 0.3 . 1 . . . . A 57 HIS N . 30754 1 645 . 1 . 1 58 58 GLN H H 1 7.974 0.020 . 1 . . . . A 58 GLN H . 30754 1 646 . 1 . 1 58 58 GLN HA H 1 5.004 0.020 . 1 . . . . A 58 GLN HA . 30754 1 647 . 1 . 1 58 58 GLN HB2 H 1 1.813 0.020 . 2 . . . . A 58 GLN HB2 . 30754 1 648 . 1 . 1 58 58 GLN HB3 H 1 1.904 0.020 . 2 . . . . A 58 GLN HB3 . 30754 1 649 . 1 . 1 58 58 GLN HG2 H 1 2.133 0.020 . 2 . . . . A 58 GLN HG2 . 30754 1 650 . 1 . 1 58 58 GLN HG3 H 1 2.189 0.020 . 2 . . . . A 58 GLN HG3 . 30754 1 651 . 1 . 1 58 58 GLN C C 13 175.357 0.3 . 1 . . . . A 58 GLN C . 30754 1 652 . 1 . 1 58 58 GLN CA C 13 54.344 0.3 . 1 . . . . A 58 GLN CA . 30754 1 653 . 1 . 1 58 58 GLN CB C 13 30.794 0.3 . 1 . . . . A 58 GLN CB . 30754 1 654 . 1 . 1 58 58 GLN CG C 13 33.985 0.3 . 1 . . . . A 58 GLN CG . 30754 1 655 . 1 . 1 58 58 GLN N N 15 124.730 0.3 . 1 . . . . A 58 GLN N . 30754 1 656 . 1 . 1 58 58 GLN NE2 N 15 113.238 0.3 . 1 . . . . A 58 GLN NE2 . 30754 1 657 . 1 . 1 59 59 VAL H H 1 8.546 0.020 . 1 . . . . A 59 VAL H . 30754 1 658 . 1 . 1 59 59 VAL HA H 1 4.699 0.020 . 1 . . . . A 59 VAL HA . 30754 1 659 . 1 . 1 59 59 VAL HB H 1 1.978 0.020 . 1 . . . . A 59 VAL HB . 30754 1 660 . 1 . 1 59 59 VAL HG11 H 1 0.619 0.020 . 2 . . . . A 59 VAL HG11 . 30754 1 661 . 1 . 1 59 59 VAL HG12 H 1 0.619 0.020 . 2 . . . . A 59 VAL HG12 . 30754 1 662 . 1 . 1 59 59 VAL HG13 H 1 0.619 0.020 . 2 . . . . A 59 VAL HG13 . 30754 1 663 . 1 . 1 59 59 VAL HG21 H 1 0.371 0.020 . 2 . . . . A 59 VAL HG21 . 30754 1 664 . 1 . 1 59 59 VAL HG22 H 1 0.371 0.020 . 2 . . . . A 59 VAL HG22 . 30754 1 665 . 1 . 1 59 59 VAL HG23 H 1 0.371 0.020 . 2 . . . . A 59 VAL HG23 . 30754 1 666 . 1 . 1 59 59 VAL CA C 13 57.594 0.3 . 1 . . . . A 59 VAL CA . 30754 1 667 . 1 . 1 59 59 VAL CB C 13 34.250 0.3 . 1 . . . . A 59 VAL CB . 30754 1 668 . 1 . 1 59 59 VAL CG1 C 13 21.216 0.3 . 2 . . . . A 59 VAL CG1 . 30754 1 669 . 1 . 1 59 59 VAL CG2 C 13 18.284 0.3 . 2 . . . . A 59 VAL CG2 . 30754 1 670 . 1 . 1 59 59 VAL N N 15 119.770 0.3 . 1 . . . . A 59 VAL N . 30754 1 671 . 1 . 1 60 60 PRO HA H 1 4.525 0.020 . 1 . . . . A 60 PRO HA . 30754 1 672 . 1 . 1 60 60 PRO HB3 H 1 1.703 0.020 . 2 . . . . A 60 PRO HB3 . 30754 1 673 . 1 . 1 60 60 PRO HG2 H 1 2.013 0.020 . 2 . . . . A 60 PRO HG2 . 30754 1 674 . 1 . 1 60 60 PRO HG3 H 1 2.061 0.020 . 2 . . . . A 60 PRO HG3 . 30754 1 675 . 1 . 1 60 60 PRO C C 13 178.173 0.3 . 1 . . . . A 60 PRO C . 30754 1 676 . 1 . 1 60 60 PRO CA C 13 63.601 0.3 . 1 . . . . A 60 PRO CA . 30754 1 677 . 1 . 1 60 60 PRO CB C 13 32.107 0.3 . 1 . . . . A 60 PRO CB . 30754 1 678 . 1 . 1 60 60 PRO CG C 13 28.405 0.3 . 1 . . . . A 60 PRO CG . 30754 1 679 . 1 . 1 61 61 ARG H H 1 9.087 0.020 . 1 . . . . A 61 ARG H . 30754 1 680 . 1 . 1 61 61 ARG HA H 1 3.735 0.020 . 1 . . . . A 61 ARG HA . 30754 1 681 . 1 . 1 61 61 ARG HB2 H 1 1.740 0.020 . 2 . . . . A 61 ARG HB2 . 30754 1 682 . 1 . 1 61 61 ARG HB3 H 1 1.816 0.020 . 2 . . . . A 61 ARG HB3 . 30754 1 683 . 1 . 1 61 61 ARG HG2 H 1 1.593 0.020 . 2 . . . . A 61 ARG HG2 . 30754 1 684 . 1 . 1 61 61 ARG HG3 H 1 1.629 0.020 . 2 . . . . A 61 ARG HG3 . 30754 1 685 . 1 . 1 61 61 ARG HD3 H 1 3.146 0.020 . 2 . . . . A 61 ARG HD3 . 30754 1 686 . 1 . 1 61 61 ARG C C 13 178.593 0.3 . 1 . . . . A 61 ARG C . 30754 1 687 . 1 . 1 61 61 ARG CA C 13 60.202 0.3 . 1 . . . . A 61 ARG CA . 30754 1 688 . 1 . 1 61 61 ARG CB C 13 29.635 0.3 . 1 . . . . A 61 ARG CB . 30754 1 689 . 1 . 1 61 61 ARG CG C 13 27.440 0.3 . 1 . . . . A 61 ARG CG . 30754 1 690 . 1 . 1 61 61 ARG CD C 13 43.350 0.3 . 1 . . . . A 61 ARG CD . 30754 1 691 . 1 . 1 61 61 ARG N N 15 126.488 0.3 . 1 . . . . A 61 ARG N . 30754 1 692 . 1 . 1 62 62 ALA H H 1 8.937 0.020 . 1 . . . . A 62 ALA H . 30754 1 693 . 1 . 1 62 62 ALA HA H 1 4.091 0.020 . 1 . . . . A 62 ALA HA . 30754 1 694 . 1 . 1 62 62 ALA HB1 H 1 1.170 0.020 . 1 . . . . A 62 ALA HB1 . 30754 1 695 . 1 . 1 62 62 ALA HB2 H 1 1.170 0.020 . 1 . . . . A 62 ALA HB2 . 30754 1 696 . 1 . 1 62 62 ALA HB3 H 1 1.170 0.020 . 1 . . . . A 62 ALA HB3 . 30754 1 697 . 1 . 1 62 62 ALA C C 13 178.365 0.3 . 1 . . . . A 62 ALA C . 30754 1 698 . 1 . 1 62 62 ALA CA C 13 54.237 0.3 . 1 . . . . A 62 ALA CA . 30754 1 699 . 1 . 1 62 62 ALA CB C 13 18.536 0.3 . 1 . . . . A 62 ALA CB . 30754 1 700 . 1 . 1 62 62 ALA N N 15 119.460 0.3 . 1 . . . . A 62 ALA N . 30754 1 701 . 1 . 1 63 63 GLU H H 1 8.063 0.020 . 1 . . . . A 63 GLU H . 30754 1 702 . 1 . 1 63 63 GLU HA H 1 4.570 0.020 . 1 . . . . A 63 GLU HA . 30754 1 703 . 1 . 1 63 63 GLU HB2 H 1 1.886 0.020 . 2 . . . . A 63 GLU HB2 . 30754 1 704 . 1 . 1 63 63 GLU HB3 H 1 2.549 0.020 . 2 . . . . A 63 GLU HB3 . 30754 1 705 . 1 . 1 63 63 GLU HG2 H 1 2.125 0.020 . 2 . . . . A 63 GLU HG2 . 30754 1 706 . 1 . 1 63 63 GLU HG3 H 1 2.182 0.020 . 2 . . . . A 63 GLU HG3 . 30754 1 707 . 1 . 1 63 63 GLU C C 13 177.713 0.3 . 1 . . . . A 63 GLU C . 30754 1 708 . 1 . 1 63 63 GLU CA C 13 55.472 0.3 . 1 . . . . A 63 GLU CA . 30754 1 709 . 1 . 1 63 63 GLU CB C 13 31.437 0.3 . 1 . . . . A 63 GLU CB . 30754 1 710 . 1 . 1 63 63 GLU CG C 13 36.540 0.3 . 1 . . . . A 63 GLU CG . 30754 1 711 . 1 . 1 63 63 GLU N N 15 113.653 0.3 . 1 . . . . A 63 GLU N . 30754 1 712 . 1 . 1 64 64 ILE H H 1 7.516 0.020 . 1 . . . . A 64 ILE H . 30754 1 713 . 1 . 1 64 64 ILE HA H 1 4.042 0.020 . 1 . . . . A 64 ILE HA . 30754 1 714 . 1 . 1 64 64 ILE HB H 1 1.725 0.020 . 1 . . . . A 64 ILE HB . 30754 1 715 . 1 . 1 64 64 ILE HG13 H 1 1.353 0.020 . 1 . . . . A 64 ILE HG13 . 30754 1 716 . 1 . 1 64 64 ILE HG21 H 1 1.060 0.020 . 1 . . . . A 64 ILE HG21 . 30754 1 717 . 1 . 1 64 64 ILE HG22 H 1 1.060 0.020 . 1 . . . . A 64 ILE HG22 . 30754 1 718 . 1 . 1 64 64 ILE HG23 H 1 1.060 0.020 . 1 . . . . A 64 ILE HG23 . 30754 1 719 . 1 . 1 64 64 ILE HD11 H 1 0.728 0.020 . 1 . . . . A 64 ILE HD11 . 30754 1 720 . 1 . 1 64 64 ILE HD12 H 1 0.728 0.020 . 1 . . . . A 64 ILE HD12 . 30754 1 721 . 1 . 1 64 64 ILE HD13 H 1 0.728 0.020 . 1 . . . . A 64 ILE HD13 . 30754 1 722 . 1 . 1 64 64 ILE C C 13 175.809 0.3 . 1 . . . . A 64 ILE C . 30754 1 723 . 1 . 1 64 64 ILE CA C 13 62.701 0.3 . 1 . . . . A 64 ILE CA . 30754 1 724 . 1 . 1 64 64 ILE CB C 13 38.189 0.3 . 1 . . . . A 64 ILE CB . 30754 1 725 . 1 . 1 64 64 ILE CG1 C 13 29.156 0.3 . 1 . . . . A 64 ILE CG1 . 30754 1 726 . 1 . 1 64 64 ILE CG2 C 13 18.864 0.3 . 1 . . . . A 64 ILE CG2 . 30754 1 727 . 1 . 1 64 64 ILE CD1 C 13 13.048 0.3 . 1 . . . . A 64 ILE CD1 . 30754 1 728 . 1 . 1 64 64 ILE N N 15 121.986 0.3 . 1 . . . . A 64 ILE N . 30754 1 729 . 1 . 1 65 65 SER H H 1 8.531 0.020 . 1 . . . . A 65 SER H . 30754 1 730 . 1 . 1 65 65 SER HA H 1 4.179 0.020 . 1 . . . . A 65 SER HA . 30754 1 731 . 1 . 1 65 65 SER HB3 H 1 3.892 0.020 . 2 . . . . A 65 SER HB3 . 30754 1 732 . 1 . 1 65 65 SER C C 13 177.168 0.3 . 1 . . . . A 65 SER C . 30754 1 733 . 1 . 1 65 65 SER CA C 13 62.337 0.3 . 1 . . . . A 65 SER CA . 30754 1 734 . 1 . 1 65 65 SER CB C 13 62.025 0.3 . 1 . . . . A 65 SER CB . 30754 1 735 . 1 . 1 65 65 SER N N 15 118.855 0.3 . 1 . . . . A 65 SER N . 30754 1 736 . 1 . 1 66 66 HIS H H 1 8.033 0.020 . 1 . . . . A 66 HIS H . 30754 1 737 . 1 . 1 66 66 HIS HA H 1 4.350 0.020 . 1 . . . . A 66 HIS HA . 30754 1 738 . 1 . 1 66 66 HIS HB2 H 1 3.255 0.020 . 2 . . . . A 66 HIS HB2 . 30754 1 739 . 1 . 1 66 66 HIS HB3 H 1 3.304 0.020 . 2 . . . . A 66 HIS HB3 . 30754 1 740 . 1 . 1 66 66 HIS C C 13 178.428 0.3 . 1 . . . . A 66 HIS C . 30754 1 741 . 1 . 1 66 66 HIS CA C 13 59.288 0.3 . 1 . . . . A 66 HIS CA . 30754 1 742 . 1 . 1 66 66 HIS CB C 13 29.562 0.3 . 1 . . . . A 66 HIS CB . 30754 1 743 . 1 . 1 66 66 HIS N N 15 122.274 0.3 . 1 . . . . A 66 HIS N . 30754 1 744 . 1 . 1 67 67 HIS H H 1 8.859 0.020 . 1 . . . . A 67 HIS H . 30754 1 745 . 1 . 1 67 67 HIS HA H 1 3.999 0.020 . 1 . . . . A 67 HIS HA . 30754 1 746 . 1 . 1 67 67 HIS HB2 H 1 3.316 0.020 . 2 . . . . A 67 HIS HB2 . 30754 1 747 . 1 . 1 67 67 HIS HB3 H 1 3.351 0.020 . 2 . . . . A 67 HIS HB3 . 30754 1 748 . 1 . 1 67 67 HIS HD2 H 1 7.104 0.020 . 1 . . . . A 67 HIS HD2 . 30754 1 749 . 1 . 1 67 67 HIS C C 13 177.347 0.3 . 1 . . . . A 67 HIS C . 30754 1 750 . 1 . 1 67 67 HIS CA C 13 60.426 0.3 . 1 . . . . A 67 HIS CA . 30754 1 751 . 1 . 1 67 67 HIS CB C 13 28.814 0.3 . 1 . . . . A 67 HIS CB . 30754 1 752 . 1 . 1 67 67 HIS CD2 C 13 124.523 0.3 . 1 . . . . A 67 HIS CD2 . 30754 1 753 . 1 . 1 67 67 HIS N N 15 120.195 0.3 . 1 . . . . A 67 HIS N . 30754 1 754 . 1 . 1 68 68 ILE H H 1 8.832 0.020 . 1 . . . . A 68 ILE H . 30754 1 755 . 1 . 1 68 68 ILE HA H 1 3.728 0.020 . 1 . . . . A 68 ILE HA . 30754 1 756 . 1 . 1 68 68 ILE HB H 1 2.046 0.020 . 1 . . . . A 68 ILE HB . 30754 1 757 . 1 . 1 68 68 ILE HG12 H 1 1.118 0.020 . 2 . . . . A 68 ILE HG12 . 30754 1 758 . 1 . 1 68 68 ILE HG13 H 1 1.916 0.020 . 2 . . . . A 68 ILE HG13 . 30754 1 759 . 1 . 1 68 68 ILE HG21 H 1 1.078 0.020 . 1 . . . . A 68 ILE HG21 . 30754 1 760 . 1 . 1 68 68 ILE HG22 H 1 1.078 0.020 . 1 . . . . A 68 ILE HG22 . 30754 1 761 . 1 . 1 68 68 ILE HG23 H 1 1.078 0.020 . 1 . . . . A 68 ILE HG23 . 30754 1 762 . 1 . 1 68 68 ILE HD11 H 1 0.851 0.020 . 1 . . . . A 68 ILE HD11 . 30754 1 763 . 1 . 1 68 68 ILE HD12 H 1 0.851 0.020 . 1 . . . . A 68 ILE HD12 . 30754 1 764 . 1 . 1 68 68 ILE HD13 H 1 0.851 0.020 . 1 . . . . A 68 ILE HD13 . 30754 1 765 . 1 . 1 68 68 ILE C C 13 177.329 0.3 . 1 . . . . A 68 ILE C . 30754 1 766 . 1 . 1 68 68 ILE CA C 13 66.108 0.3 . 1 . . . . A 68 ILE CA . 30754 1 767 . 1 . 1 68 68 ILE CB C 13 38.330 0.3 . 1 . . . . A 68 ILE CB . 30754 1 768 . 1 . 1 68 68 ILE CG1 C 13 30.125 0.3 . 1 . . . . A 68 ILE CG1 . 30754 1 769 . 1 . 1 68 68 ILE CG2 C 13 17.536 0.3 . 1 . . . . A 68 ILE CG2 . 30754 1 770 . 1 . 1 68 68 ILE CD1 C 13 14.570 0.3 . 1 . . . . A 68 ILE CD1 . 30754 1 771 . 1 . 1 68 68 ILE N N 15 117.943 0.3 . 1 . . . . A 68 ILE N . 30754 1 772 . 1 . 1 69 69 SER H H 1 7.389 0.020 . 1 . . . . A 69 SER H . 30754 1 773 . 1 . 1 69 69 SER HA H 1 4.248 0.020 . 1 . . . . A 69 SER HA . 30754 1 774 . 1 . 1 69 69 SER HB3 H 1 3.938 0.020 . 2 . . . . A 69 SER HB3 . 30754 1 775 . 1 . 1 69 69 SER C C 13 174.861 0.3 . 1 . . . . A 69 SER C . 30754 1 776 . 1 . 1 69 69 SER CA C 13 60.834 0.3 . 1 . . . . A 69 SER CA . 30754 1 777 . 1 . 1 69 69 SER CB C 13 64.139 0.3 . 1 . . . . A 69 SER CB . 30754 1 778 . 1 . 1 69 69 SER N N 15 112.184 0.3 . 1 . . . . A 69 SER N . 30754 1 779 . 1 . 1 70 70 SER H H 1 7.304 0.020 . 1 . . . . A 70 SER H . 30754 1 780 . 1 . 1 70 70 SER HA H 1 4.530 0.020 . 1 . . . . A 70 SER HA . 30754 1 781 . 1 . 1 70 70 SER HB2 H 1 3.571 0.020 . 2 . . . . A 70 SER HB2 . 30754 1 782 . 1 . 1 70 70 SER HB3 H 1 3.766 0.020 . 2 . . . . A 70 SER HB3 . 30754 1 783 . 1 . 1 70 70 SER C C 13 173.339 0.3 . 1 . . . . A 70 SER C . 30754 1 784 . 1 . 1 70 70 SER CA C 13 57.756 0.3 . 1 . . . . A 70 SER CA . 30754 1 785 . 1 . 1 70 70 SER CB C 13 65.003 0.3 . 1 . . . . A 70 SER CB . 30754 1 786 . 1 . 1 70 70 SER N N 15 113.305 0.3 . 1 . . . . A 70 SER N . 30754 1 787 . 1 . 1 71 71 CYS H H 1 7.474 0.020 . 1 . . . . A 71 CYS H . 30754 1 788 . 1 . 1 71 71 CYS HA H 1 3.684 0.020 . 1 . . . . A 71 CYS HA . 30754 1 789 . 1 . 1 71 71 CYS HB2 H 1 2.458 0.020 . 2 . . . . A 71 CYS HB2 . 30754 1 790 . 1 . 1 71 71 CYS HB3 H 1 2.649 0.020 . 2 . . . . A 71 CYS HB3 . 30754 1 791 . 1 . 1 71 71 CYS C C 13 176.892 0.3 . 1 . . . . A 71 CYS C . 30754 1 792 . 1 . 1 71 71 CYS CA C 13 61.705 0.3 . 1 . . . . A 71 CYS CA . 30754 1 793 . 1 . 1 71 71 CYS CB C 13 28.330 0.3 . 1 . . . . A 71 CYS CB . 30754 1 794 . 1 . 1 71 71 CYS N N 15 126.795 0.3 . 1 . . . . A 71 CYS N . 30754 1 795 . 1 . 1 72 72 ASP H H 1 8.730 0.020 . 1 . . . . A 72 ASP H . 30754 1 796 . 1 . 1 72 72 ASP HA H 1 4.432 0.020 . 1 . . . . A 72 ASP HA . 30754 1 797 . 1 . 1 72 72 ASP HB2 H 1 2.637 0.020 . 2 . . . . A 72 ASP HB2 . 30754 1 798 . 1 . 1 72 72 ASP HB3 H 1 2.725 0.020 . 2 . . . . A 72 ASP HB3 . 30754 1 799 . 1 . 1 72 72 ASP C C 13 176.656 0.3 . 1 . . . . A 72 ASP C . 30754 1 800 . 1 . 1 72 72 ASP CA C 13 56.405 0.3 . 1 . . . . A 72 ASP CA . 30754 1 801 . 1 . 1 72 72 ASP CB C 13 41.129 0.3 . 1 . . . . A 72 ASP CB . 30754 1 802 . 1 . 1 72 72 ASP N N 15 129.835 0.3 . 1 . . . . A 72 ASP N . 30754 1 803 . 1 . 1 73 73 ASP H H 1 8.759 0.020 . 1 . . . . A 73 ASP H . 30754 1 804 . 1 . 1 73 73 ASP HA H 1 4.729 0.020 . 1 . . . . A 73 ASP HA . 30754 1 805 . 1 . 1 73 73 ASP HB2 H 1 2.544 0.020 . 2 . . . . A 73 ASP HB2 . 30754 1 806 . 1 . 1 73 73 ASP HB3 H 1 2.791 0.020 . 2 . . . . A 73 ASP HB3 . 30754 1 807 . 1 . 1 73 73 ASP C C 13 175.189 0.3 . 1 . . . . A 73 ASP C . 30754 1 808 . 1 . 1 73 73 ASP CA C 13 54.951 0.3 . 1 . . . . A 73 ASP CA . 30754 1 809 . 1 . 1 73 73 ASP CB C 13 41.945 0.3 . 1 . . . . A 73 ASP CB . 30754 1 810 . 1 . 1 73 73 ASP N N 15 120.492 0.3 . 1 . . . . A 73 ASP N . 30754 1 811 . 1 . 1 74 74 LYS H H 1 7.203 0.020 . 1 . . . . A 74 LYS H . 30754 1 812 . 1 . 1 74 74 LYS HA H 1 2.768 0.020 . 1 . . . . A 74 LYS HA . 30754 1 813 . 1 . 1 74 74 LYS HB3 H 1 1.296 0.020 . 2 . . . . A 74 LYS HB3 . 30754 1 814 . 1 . 1 74 74 LYS HG2 H 1 0.926 0.020 . 2 . . . . A 74 LYS HG2 . 30754 1 815 . 1 . 1 74 74 LYS HG3 H 1 1.057 0.020 . 2 . . . . A 74 LYS HG3 . 30754 1 816 . 1 . 1 74 74 LYS HD2 H 1 1.457 0.020 . 2 . . . . A 74 LYS HD2 . 30754 1 817 . 1 . 1 74 74 LYS HD3 H 1 1.516 0.020 . 2 . . . . A 74 LYS HD3 . 30754 1 818 . 1 . 1 74 74 LYS HE3 H 1 2.842 0.020 . 2 . . . . A 74 LYS HE3 . 30754 1 819 . 1 . 1 74 74 LYS C C 13 176.174 0.3 . 1 . . . . A 74 LYS C . 30754 1 820 . 1 . 1 74 74 LYS CA C 13 57.325 0.3 . 1 . . . . A 74 LYS CA . 30754 1 821 . 1 . 1 74 74 LYS CB C 13 32.356 0.3 . 1 . . . . A 74 LYS CB . 30754 1 822 . 1 . 1 74 74 LYS CG C 13 23.644 0.3 . 1 . . . . A 74 LYS CG . 30754 1 823 . 1 . 1 74 74 LYS CD C 13 29.363 0.3 . 1 . . . . A 74 LYS CD . 30754 1 824 . 1 . 1 74 74 LYS CE C 13 41.818 0.3 . 1 . . . . A 74 LYS CE . 30754 1 825 . 1 . 1 74 74 LYS N N 15 120.047 0.3 . 1 . . . . A 74 LYS N . 30754 1 826 . 1 . 1 75 75 SER H H 1 7.401 0.020 . 1 . . . . A 75 SER H . 30754 1 827 . 1 . 1 75 75 SER HA H 1 4.372 0.020 . 1 . . . . A 75 SER HA . 30754 1 828 . 1 . 1 75 75 SER HB3 H 1 3.837 0.020 . 2 . . . . A 75 SER HB3 . 30754 1 829 . 1 . 1 75 75 SER C C 13 174.635 0.3 . 1 . . . . A 75 SER C . 30754 1 830 . 1 . 1 75 75 SER CA C 13 58.290 0.3 . 1 . . . . A 75 SER CA . 30754 1 831 . 1 . 1 75 75 SER N N 15 115.717 0.3 . 1 . . . . A 75 SER N . 30754 1 832 . 1 . 1 76 76 SER H H 1 8.176 0.020 . 1 . . . . A 76 SER H . 30754 1 833 . 1 . 1 76 76 SER HA H 1 4.426 0.020 . 1 . . . . A 76 SER HA . 30754 1 834 . 1 . 1 76 76 SER HB3 H 1 3.878 0.020 . 2 . . . . A 76 SER HB3 . 30754 1 835 . 1 . 1 76 76 SER C C 13 174.634 0.3 . 1 . . . . A 76 SER C . 30754 1 836 . 1 . 1 76 76 SER CA C 13 58.613 0.3 . 1 . . . . A 76 SER CA . 30754 1 837 . 1 . 1 76 76 SER CB C 13 63.762 0.3 . 1 . . . . A 76 SER CB . 30754 1 838 . 1 . 1 76 76 SER N N 15 117.539 0.3 . 1 . . . . A 76 SER N . 30754 1 839 . 1 . 1 77 77 ILE H H 1 7.971 0.020 . 1 . . . . A 77 ILE H . 30754 1 840 . 1 . 1 77 77 ILE HA H 1 4.208 0.020 . 1 . . . . A 77 ILE HA . 30754 1 841 . 1 . 1 77 77 ILE HB H 1 1.891 0.020 . 1 . . . . A 77 ILE HB . 30754 1 842 . 1 . 1 77 77 ILE HG12 H 1 1.206 0.020 . 2 . . . . A 77 ILE HG12 . 30754 1 843 . 1 . 1 77 77 ILE HG13 H 1 1.445 0.020 . 2 . . . . A 77 ILE HG13 . 30754 1 844 . 1 . 1 77 77 ILE HG21 H 1 0.914 0.020 . 1 . . . . A 77 ILE HG21 . 30754 1 845 . 1 . 1 77 77 ILE HG22 H 1 0.914 0.020 . 1 . . . . A 77 ILE HG22 . 30754 1 846 . 1 . 1 77 77 ILE HG23 H 1 0.914 0.020 . 1 . . . . A 77 ILE HG23 . 30754 1 847 . 1 . 1 77 77 ILE HD11 H 1 0.861 0.020 . 1 . . . . A 77 ILE HD11 . 30754 1 848 . 1 . 1 77 77 ILE HD12 H 1 0.861 0.020 . 1 . . . . A 77 ILE HD12 . 30754 1 849 . 1 . 1 77 77 ILE HD13 H 1 0.861 0.020 . 1 . . . . A 77 ILE HD13 . 30754 1 850 . 1 . 1 77 77 ILE C C 13 176.386 0.3 . 1 . . . . A 77 ILE C . 30754 1 851 . 1 . 1 77 77 ILE CA C 13 61.341 0.3 . 1 . . . . A 77 ILE CA . 30754 1 852 . 1 . 1 77 77 ILE CB C 13 38.790 0.3 . 1 . . . . A 77 ILE CB . 30754 1 853 . 1 . 1 77 77 ILE CG1 C 13 27.366 0.3 . 1 . . . . A 77 ILE CG1 . 30754 1 854 . 1 . 1 77 77 ILE CG2 C 13 17.685 0.3 . 1 . . . . A 77 ILE CG2 . 30754 1 855 . 1 . 1 77 77 ILE CD1 C 13 13.263 0.3 . 1 . . . . A 77 ILE CD1 . 30754 1 856 . 1 . 1 77 77 ILE N N 15 121.540 0.3 . 1 . . . . A 77 ILE N . 30754 1 857 . 1 . 1 78 78 GLU H H 1 8.376 0.020 . 1 . . . . A 78 GLU H . 30754 1 858 . 1 . 1 78 78 GLU HA H 1 4.224 0.020 . 1 . . . . A 78 GLU HA . 30754 1 859 . 1 . 1 78 78 GLU HB2 H 1 1.923 0.020 . 2 . . . . A 78 GLU HB2 . 30754 1 860 . 1 . 1 78 78 GLU HB3 H 1 2.023 0.020 . 2 . . . . A 78 GLU HB3 . 30754 1 861 . 1 . 1 78 78 GLU HG2 H 1 2.234 0.020 . 2 . . . . A 78 GLU HG2 . 30754 1 862 . 1 . 1 78 78 GLU HG3 H 1 2.269 0.020 . 2 . . . . A 78 GLU HG3 . 30754 1 863 . 1 . 1 78 78 GLU CA C 13 56.950 0.3 . 1 . . . . A 78 GLU CA . 30754 1 864 . 1 . 1 78 78 GLU CB C 13 30.144 0.3 . 1 . . . . A 78 GLU CB . 30754 1 865 . 1 . 1 78 78 GLU CG C 13 36.325 0.3 . 1 . . . . A 78 GLU CG . 30754 1 866 . 1 . 1 78 78 GLU N N 15 124.146 0.3 . 1 . . . . A 78 GLU N . 30754 1 867 . 1 . 1 79 79 GLN H H 1 8.316 0.020 . 1 . . . . A 79 GLN H . 30754 1 868 . 1 . 1 79 79 GLN HA H 1 4.239 0.020 . 1 . . . . A 79 GLN HA . 30754 1 869 . 1 . 1 79 79 GLN HB2 H 1 1.980 0.020 . 2 . . . . A 79 GLN HB2 . 30754 1 870 . 1 . 1 79 79 GLN HB3 H 1 2.064 0.020 . 2 . . . . A 79 GLN HB3 . 30754 1 871 . 1 . 1 79 79 GLN HG3 H 1 2.341 0.020 . 2 . . . . A 79 GLN HG3 . 30754 1 872 . 1 . 1 79 79 GLN HE21 H 1 7.512 0.020 . 2 . . . . A 79 GLN HE21 . 30754 1 873 . 1 . 1 79 79 GLN HE22 H 1 6.833 0.020 . 2 . . . . A 79 GLN HE22 . 30754 1 874 . 1 . 1 79 79 GLN C C 13 175.845 0.3 . 1 . . . . A 79 GLN C . 30754 1 875 . 1 . 1 79 79 GLN CA C 13 56.286 0.3 . 1 . . . . A 79 GLN CA . 30754 1 876 . 1 . 1 79 79 GLN CB C 13 29.636 0.3 . 1 . . . . A 79 GLN CB . 30754 1 877 . 1 . 1 79 79 GLN CG C 13 33.784 0.3 . 1 . . . . A 79 GLN CG . 30754 1 878 . 1 . 1 79 79 GLN N N 15 120.773 0.3 . 1 . . . . A 79 GLN N . 30754 1 879 . 1 . 1 80 80 ASP H H 1 8.383 0.020 . 1 . . . . A 80 ASP H . 30754 1 880 . 1 . 1 80 80 ASP HA H 1 4.571 0.020 . 1 . . . . A 80 ASP HA . 30754 1 881 . 1 . 1 80 80 ASP HB2 H 1 2.621 0.020 . 2 . . . . A 80 ASP HB2 . 30754 1 882 . 1 . 1 80 80 ASP HB3 H 1 2.698 0.020 . 2 . . . . A 80 ASP HB3 . 30754 1 883 . 1 . 1 80 80 ASP C C 13 176.593 0.3 . 1 . . . . A 80 ASP C . 30754 1 884 . 1 . 1 80 80 ASP CA C 13 54.805 0.3 . 1 . . . . A 80 ASP CA . 30754 1 885 . 1 . 1 80 80 ASP CB C 13 41.018 0.3 . 1 . . . . A 80 ASP CB . 30754 1 886 . 1 . 1 80 80 ASP N N 15 121.209 0.3 . 1 . . . . A 80 ASP N . 30754 1 stop_ save_