data_50213 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50213 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the yeast TIM8/13 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-18 _Entry.Accession_date 2020-03-18 _Entry.Last_release_date 2020-03-20 _Entry.Original_release_date 2020-03-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Iva Sucec . . . 0000-0002-1192-7800 50213 2 Katharina Weinhaupl . . . 0000-0002-9552-9876 50213 3 Audrey Hessel . . . . 50213 4 Beate Bersch . . . 0000-0003-1138-4911 50213 5 Paul Schanda . . . 0000-0002-9350-7606 50213 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biomolecular NMR Spectroscopy Group' . 50213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 50213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 685 50213 '15N chemical shifts' 293 50213 '1H chemical shifts' 293 50213 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 3 . . 2021-08-23 2020-03-18 update BMRB 'update entry citation' 50213 2 . . 2020-06-02 2020-03-18 update author 'update assignments' 50213 1 . . 2020-04-02 2020-03-18 original author 'original release' 50213 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50213 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33355130 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of client specificity in mitochondrial membrane-protein chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 6 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first eabd0263 _Citation.Page_last eabd0263 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Iva Sucec I. . . . 50213 1 2 Yong Wang Y. . . . 50213 1 3 Ons Dakhlaoui O. . . . 50213 1 4 Katharina Weinhaupl K. . . . 50213 1 5 Tobias Jores T. . . . 50213 1 6 Doriane Costa D. . . . 50213 1 7 Audrey Hessel A. . . . 50213 1 8 Martha Brennich M. . . . 50213 1 9 Doron Rapaport D. . . . 50213 1 10 Kresten Lindorff-Larsen K. . . . 50213 1 11 Beate Bersch B. . . . 50213 1 12 Paul Schanda P. . . . 50213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50213 _Assembly.ID 1 _Assembly.Name 'Yeast mitochondrial intermembrane space TIM8/13 chaperone complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Tim8 1 $entity_1 . . no native no no . . . 50213 1 2 Tim13 2 $entity_2 . . no native no no . . . 50213 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 44 44 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . . . 50213 1 2 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 64 64 SG . . . . . . . . . . . . 50213 1 3 disulfide single . 2 . 2 CYS 57 57 SG . 2 . 2 CYS 77 77 SG . . . . . . . . . . . . 50213 1 4 disulfide single . 2 . 2 CYS 61 61 SG . 2 . 2 CYS 73 73 SG . . . . . . . . . . . . 50213 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Mitochondrial intermembrane space protein chaperoning' 50213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50213 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSSLSTSDLASLDDTSKKEI ATFLEGENSKQKVQMSIHQF TNICFKKCVESVNDSNLSSQ EEQCLSNCVNRFLDTNIRIV NGLQNTR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB na P57744 Tim8 . . . . . . . . . . . . . . 50213 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Mitochondrial intermembrane space chaperone subunit' 50213 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 1 801 MET . 50213 1 2 802 SER . 50213 1 3 803 SER . 50213 1 4 804 LEU . 50213 1 5 805 SER . 50213 1 6 806 THR . 50213 1 7 807 SER . 50213 1 8 808 ASP . 50213 1 9 809 LEU . 50213 1 10 810 ALA . 50213 1 11 811 SER . 50213 1 12 812 LEU . 50213 1 13 813 ASP . 50213 1 14 814 ASP . 50213 1 15 815 THR . 50213 1 16 816 SER . 50213 1 17 817 LYS . 50213 1 18 818 LYS . 50213 1 19 819 GLU . 50213 1 20 820 ILE . 50213 1 21 821 ALA . 50213 1 22 822 THR . 50213 1 23 823 PHE . 50213 1 24 824 LEU . 50213 1 25 825 GLU . 50213 1 26 826 GLY . 50213 1 27 827 GLU . 50213 1 28 828 ASN . 50213 1 29 829 SER . 50213 1 30 830 LYS . 50213 1 31 831 GLN . 50213 1 32 832 LYS . 50213 1 33 833 VAL . 50213 1 34 834 GLN . 50213 1 35 835 MET . 50213 1 36 836 SER . 50213 1 37 837 ILE . 50213 1 38 838 HIS . 50213 1 39 839 GLN . 50213 1 40 840 PHE . 50213 1 41 841 THR . 50213 1 42 842 ASN . 50213 1 43 843 ILE . 50213 1 44 844 CYS . 50213 1 45 845 PHE . 50213 1 46 846 LYS . 50213 1 47 847 LYS . 50213 1 48 848 CYS . 50213 1 49 849 VAL . 50213 1 50 850 GLU . 50213 1 51 851 SER . 50213 1 52 852 VAL . 50213 1 53 853 ASN . 50213 1 54 854 ASP . 50213 1 55 855 SER . 50213 1 56 856 ASN . 50213 1 57 857 LEU . 50213 1 58 858 SER . 50213 1 59 859 SER . 50213 1 60 860 GLN . 50213 1 61 861 GLU . 50213 1 62 862 GLU . 50213 1 63 863 GLN . 50213 1 64 864 CYS . 50213 1 65 865 LEU . 50213 1 66 866 SER . 50213 1 67 867 ASN . 50213 1 68 868 CYS . 50213 1 69 869 VAL . 50213 1 70 870 ASN . 50213 1 71 871 ARG . 50213 1 72 872 PHE . 50213 1 73 873 LEU . 50213 1 74 874 ASP . 50213 1 75 875 THR . 50213 1 76 876 ASN . 50213 1 77 877 ILE . 50213 1 78 878 ARG . 50213 1 79 879 ILE . 50213 1 80 880 VAL . 50213 1 81 881 ASN . 50213 1 82 882 GLY . 50213 1 83 883 LEU . 50213 1 84 884 GLN . 50213 1 85 885 ASN . 50213 1 86 886 THR . 50213 1 87 887 ARG . 50213 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 50213 1 . SER 2 2 50213 1 . SER 3 3 50213 1 . LEU 4 4 50213 1 . SER 5 5 50213 1 . THR 6 6 50213 1 . SER 7 7 50213 1 . ASP 8 8 50213 1 . LEU 9 9 50213 1 . ALA 10 10 50213 1 . SER 11 11 50213 1 . LEU 12 12 50213 1 . ASP 13 13 50213 1 . ASP 14 14 50213 1 . THR 15 15 50213 1 . SER 16 16 50213 1 . LYS 17 17 50213 1 . LYS 18 18 50213 1 . GLU 19 19 50213 1 . ILE 20 20 50213 1 . ALA 21 21 50213 1 . THR 22 22 50213 1 . PHE 23 23 50213 1 . LEU 24 24 50213 1 . GLU 25 25 50213 1 . GLY 26 26 50213 1 . GLU 27 27 50213 1 . ASN 28 28 50213 1 . SER 29 29 50213 1 . LYS 30 30 50213 1 . GLN 31 31 50213 1 . LYS 32 32 50213 1 . VAL 33 33 50213 1 . GLN 34 34 50213 1 . MET 35 35 50213 1 . SER 36 36 50213 1 . ILE 37 37 50213 1 . HIS 38 38 50213 1 . GLN 39 39 50213 1 . PHE 40 40 50213 1 . THR 41 41 50213 1 . ASN 42 42 50213 1 . ILE 43 43 50213 1 . CYS 44 44 50213 1 . PHE 45 45 50213 1 . LYS 46 46 50213 1 . LYS 47 47 50213 1 . CYS 48 48 50213 1 . VAL 49 49 50213 1 . GLU 50 50 50213 1 . SER 51 51 50213 1 . VAL 52 52 50213 1 . ASN 53 53 50213 1 . ASP 54 54 50213 1 . SER 55 55 50213 1 . ASN 56 56 50213 1 . LEU 57 57 50213 1 . SER 58 58 50213 1 . SER 59 59 50213 1 . GLN 60 60 50213 1 . GLU 61 61 50213 1 . GLU 62 62 50213 1 . GLN 63 63 50213 1 . CYS 64 64 50213 1 . LEU 65 65 50213 1 . SER 66 66 50213 1 . ASN 67 67 50213 1 . CYS 68 68 50213 1 . VAL 69 69 50213 1 . ASN 70 70 50213 1 . ARG 71 71 50213 1 . PHE 72 72 50213 1 . LEU 73 73 50213 1 . ASP 74 74 50213 1 . THR 75 75 50213 1 . ASN 76 76 50213 1 . ILE 77 77 50213 1 . ARG 78 78 50213 1 . ILE 79 79 50213 1 . VAL 80 80 50213 1 . ASN 81 81 50213 1 . GLY 82 82 50213 1 . LEU 83 83 50213 1 . GLN 84 84 50213 1 . ASN 85 85 50213 1 . THR 86 86 50213 1 . ARG 87 87 50213 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50213 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGLSSIFGGGAPSQQKEAAT TAKTTPNPIAKELKNQIAQE LAVANATELVNKISENCFEK CLTSPYATRNDACIDQCLAK YMRSWNVISKAYISRIQNAS ASGEI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB na P53299 Tim13 . . . . . . . . . . . . . . 50213 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Mitochondrial intermembrane space chaperone subunit' 50213 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 . GLY . 50213 2 2 . GLY . 50213 2 3 . LEU . 50213 2 4 . SER . 50213 2 5 . SER . 50213 2 6 . ILE . 50213 2 7 . PHE . 50213 2 8 . GLY . 50213 2 9 . GLY . 50213 2 10 . GLY . 50213 2 11 . ALA . 50213 2 12 . PRO . 50213 2 13 . SER . 50213 2 14 . GLN . 50213 2 15 . GLN . 50213 2 16 . LYS . 50213 2 17 . GLU . 50213 2 18 . ALA . 50213 2 19 . ALA . 50213 2 20 . THR . 50213 2 21 . THR . 50213 2 22 . ALA . 50213 2 23 . LYS . 50213 2 24 . THR . 50213 2 25 . THR . 50213 2 26 . PRO . 50213 2 27 . ASN . 50213 2 28 . PRO . 50213 2 29 . ILE . 50213 2 30 . ALA . 50213 2 31 . LYS . 50213 2 32 . GLU . 50213 2 33 . LEU . 50213 2 34 . LYS . 50213 2 35 . ASN . 50213 2 36 . GLN . 50213 2 37 . ILE . 50213 2 38 . ALA . 50213 2 39 . GLN . 50213 2 40 . GLU . 50213 2 41 . LEU . 50213 2 42 . ALA . 50213 2 43 . VAL . 50213 2 44 . ALA . 50213 2 45 . ASN . 50213 2 46 . ALA . 50213 2 47 . THR . 50213 2 48 . GLU . 50213 2 49 . LEU . 50213 2 50 . VAL . 50213 2 51 . ASN . 50213 2 52 . LYS . 50213 2 53 . ILE . 50213 2 54 . SER . 50213 2 55 . GLU . 50213 2 56 . ASN . 50213 2 57 . CYS . 50213 2 58 . PHE . 50213 2 59 . GLU . 50213 2 60 . LYS . 50213 2 61 . CYS . 50213 2 62 . LEU . 50213 2 63 . THR . 50213 2 64 . SER . 50213 2 65 . PRO . 50213 2 66 . TYR . 50213 2 67 . ALA . 50213 2 68 . THR . 50213 2 69 . ARG . 50213 2 70 . ASN . 50213 2 71 . ASP . 50213 2 72 . ALA . 50213 2 73 . CYS . 50213 2 74 . ILE . 50213 2 75 . ASP . 50213 2 76 . GLN . 50213 2 77 . CYS . 50213 2 78 . LEU . 50213 2 79 . ALA . 50213 2 80 . LYS . 50213 2 81 . TYR . 50213 2 82 . MET . 50213 2 83 . ARG . 50213 2 84 . SER . 50213 2 85 . TRP . 50213 2 86 . ASN . 50213 2 87 . VAL . 50213 2 88 . ILE . 50213 2 89 . SER . 50213 2 90 . LYS . 50213 2 91 . ALA . 50213 2 92 . TYR . 50213 2 93 . ILE . 50213 2 94 . SER . 50213 2 95 . ARG . 50213 2 96 . ILE . 50213 2 97 . GLN . 50213 2 98 . ASN . 50213 2 99 . ALA . 50213 2 100 . SER . 50213 2 101 . ALA . 50213 2 102 . SER . 50213 2 103 . GLY . 50213 2 104 . GLU . 50213 2 105 . ILE . 50213 2 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 . GLY 1 1 50213 2 . GLY 2 2 50213 2 . LEU 3 3 50213 2 . SER 4 4 50213 2 . SER 5 5 50213 2 . ILE 6 6 50213 2 . PHE 7 7 50213 2 . GLY 8 8 50213 2 . GLY 9 9 50213 2 . GLY 10 10 50213 2 . ALA 11 11 50213 2 . PRO 12 12 50213 2 . SER 13 13 50213 2 . GLN 14 14 50213 2 . GLN 15 15 50213 2 . LYS 16 16 50213 2 . GLU 17 17 50213 2 . ALA 18 18 50213 2 . ALA 19 19 50213 2 . THR 20 20 50213 2 . THR 21 21 50213 2 . ALA 22 22 50213 2 . LYS 23 23 50213 2 . THR 24 24 50213 2 . THR 25 25 50213 2 . PRO 26 26 50213 2 . ASN 27 27 50213 2 . PRO 28 28 50213 2 . ILE 29 29 50213 2 . ALA 30 30 50213 2 . LYS 31 31 50213 2 . GLU 32 32 50213 2 . LEU 33 33 50213 2 . LYS 34 34 50213 2 . ASN 35 35 50213 2 . GLN 36 36 50213 2 . ILE 37 37 50213 2 . ALA 38 38 50213 2 . GLN 39 39 50213 2 . GLU 40 40 50213 2 . LEU 41 41 50213 2 . ALA 42 42 50213 2 . VAL 43 43 50213 2 . ALA 44 44 50213 2 . ASN 45 45 50213 2 . ALA 46 46 50213 2 . THR 47 47 50213 2 . GLU 48 48 50213 2 . LEU 49 49 50213 2 . VAL 50 50 50213 2 . ASN 51 51 50213 2 . LYS 52 52 50213 2 . ILE 53 53 50213 2 . SER 54 54 50213 2 . GLU 55 55 50213 2 . ASN 56 56 50213 2 . CYS 57 57 50213 2 . PHE 58 58 50213 2 . GLU 59 59 50213 2 . LYS 60 60 50213 2 . CYS 61 61 50213 2 . LEU 62 62 50213 2 . THR 63 63 50213 2 . SER 64 64 50213 2 . PRO 65 65 50213 2 . TYR 66 66 50213 2 . ALA 67 67 50213 2 . THR 68 68 50213 2 . ARG 69 69 50213 2 . ASN 70 70 50213 2 . ASP 71 71 50213 2 . ALA 72 72 50213 2 . CYS 73 73 50213 2 . ILE 74 74 50213 2 . ASP 75 75 50213 2 . GLN 76 76 50213 2 . CYS 77 77 50213 2 . LEU 78 78 50213 2 . ALA 79 79 50213 2 . LYS 80 80 50213 2 . TYR 81 81 50213 2 . MET 82 82 50213 2 . ARG 83 83 50213 2 . SER 84 84 50213 2 . TRP 85 85 50213 2 . ASN 86 86 50213 2 . VAL 87 87 50213 2 . ILE 88 88 50213 2 . SER 89 89 50213 2 . LYS 90 90 50213 2 . ALA 91 91 50213 2 . TYR 92 92 50213 2 . ILE 93 93 50213 2 . SER 94 94 50213 2 . ARG 95 95 50213 2 . ILE 96 96 50213 2 . GLN 97 97 50213 2 . ASN 98 98 50213 2 . ALA 99 99 50213 2 . SER 100 100 50213 2 . ALA 101 101 50213 2 . SER 102 102 50213 2 . GLY 103 103 50213 2 . GLU 104 104 50213 2 . ILE 105 105 50213 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50213 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 50213 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 50213 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50213 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET_Duet1_Tim8_Tim13 . . . 50213 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET_Duet1_Tim8_Tim13 . . . 50213 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50213 _Sample.ID 1 _Sample.Name TIM8.13 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tim8 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.15 0.1 0.2 mM . . . . 50213 1 2 Tim13 '[U-13C; U-15N; U-2H]' . . 2 $entity_2 . . 0.15 0.1 0.2 mM . . . . 50213 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50213 _Sample.ID 2 _Sample.Name TIM*8.13 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tim8 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.1 . . mM . . . . 50213 2 2 Tim13 'natural abundance' . . 2 $entity_2 . . 0.1 . . mM . . . . 50213 2 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 50213 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Buffer A, 35degC' _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 pH 7.4 . pH 50213 1 temperature 308 . K 50213 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50213 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Buffer A, 60degC' _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 pH 7.4 . pH 50213 2 temperature 333 . K 50213 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50213 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50213 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50213 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50213 2 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 50213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50213 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50213 _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 BEST-TROSY HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 2 '3D BEST-TROSY HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 3 '3D BEST-TROSY HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 4 '3D BEST-TROSY HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 5 '3D BEST-TROSY HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 6 '3D BEST-TROSY HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 7 '3D BEST-TROSY HN(CA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 1 8 '2D 1H-15N BEST-TROSY HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 9 '3D BEST-TROSY HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 10 '3D BEST-TROSY HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 11 '3D BEST-TROSY HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 12 '3D BEST-TROSY HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 13 '3D BEST-TROSY HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 14 '3D BEST-TROSY HN(CA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50213 1 15 '2D 1H-15N BEST-TROSY HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50213 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 50213 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ChemShiftRef _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 water 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50213 1 H 1 water 'methyl protons' . . . . ppm 4.8 internal direct 1.000000000 . . . . . 50213 1 N 15 water 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50213 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 50213 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Tim8_35C _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 BEST-TROSY HSQC' . . . 50213 1 2 '3D BEST-TROSY HNCO' . . . 50213 1 3 '3D BEST-TROSY HNCA' . . . 50213 1 4 '3D BEST-TROSY HN(CO)CA' . . . 50213 1 5 '3D BEST-TROSY HN(COCA)CB' . . . 50213 1 6 '3D BEST-TROSY HN(CA)CO' . . . 50213 1 7 '3D BEST-TROSY HN(CA)CB' . . . 50213 1 15 '2D 1H-15N BEST-TROSY HSQC' . . . 50213 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50213 1 2 $software_2 . . 50213 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 4 4 LEU H H 1 8.247 0.000 . 1 . . . . . 804 LEU H . 50213 1 2 . 1 . 1 4 4 LEU C C 13 177.036 0.000 . 1 . . . . . 804 LEU C . 50213 1 3 . 1 . 1 4 4 LEU CA C 13 54.833 0.000 . 1 . . . . . 804 LEU CA . 50213 1 4 . 1 . 1 4 4 LEU CB C 13 41.589 0.000 . 1 . . . . . 804 LEU CB . 50213 1 5 . 1 . 1 4 4 LEU N N 15 124.122 0.000 . 1 . . . . . 804 LEU N . 50213 1 6 . 1 . 1 5 5 SER H H 1 8.585 0.032 . 1 . . . . . 805 SER H . 50213 1 7 . 1 . 1 5 5 SER CA C 13 57.298 0.000 . 1 . . . . . 805 SER CA . 50213 1 8 . 1 . 1 5 5 SER CB C 13 63.729 0.044 . 1 . . . . . 805 SER CB . 50213 1 9 . 1 . 1 5 5 SER N N 15 117.927 0.146 . 1 . . . . . 805 SER N . 50213 1 10 . 1 . 1 7 7 SER H H 1 8.364 0.000 . 1 . . . . . 807 SER H . 50213 1 11 . 1 . 1 7 7 SER C C 13 174.311 0.000 . 1 . . . . . 807 SER C . 50213 1 12 . 1 . 1 7 7 SER CA C 13 57.976 0.000 . 1 . . . . . 807 SER CA . 50213 1 13 . 1 . 1 7 7 SER CB C 13 63.080 0.000 . 1 . . . . . 807 SER CB . 50213 1 14 . 1 . 1 7 7 SER N N 15 118.262 0.000 . 1 . . . . . 807 SER N . 50213 1 15 . 1 . 1 8 8 ASP H H 1 8.107 0.000 . 1 . . . . . 808 ASP H . 50213 1 16 . 1 . 1 8 8 ASP C C 13 177.069 0.000 . 1 . . . . . 808 ASP C . 50213 1 17 . 1 . 1 8 8 ASP CA C 13 54.852 0.000 . 1 . . . . . 808 ASP CA . 50213 1 18 . 1 . 1 8 8 ASP CB C 13 41.477 0.000 . 1 . . . . . 808 ASP CB . 50213 1 19 . 1 . 1 8 8 ASP N N 15 123.848 0.000 . 1 . . . . . 808 ASP N . 50213 1 20 . 1 . 1 9 9 LEU H H 1 8.498 0.000 . 1 . . . . . 809 LEU H . 50213 1 21 . 1 . 1 9 9 LEU CA C 13 57.412 0.000 . 1 . . . . . 809 LEU CA . 50213 1 22 . 1 . 1 9 9 LEU N N 15 117.621 0.000 . 1 . . . . . 809 LEU N . 50213 1 23 . 1 . 1 10 10 ALA H H 1 7.878 0.000 . 1 . . . . . 810 ALA H . 50213 1 24 . 1 . 1 10 10 ALA CA C 13 52.597 0.000 . 1 . . . . . 810 ALA CA . 50213 1 25 . 1 . 1 10 10 ALA CB C 13 18.094 0.000 . 1 . . . . . 810 ALA CB . 50213 1 26 . 1 . 1 10 10 ALA N N 15 122.944 0.000 . 1 . . . . . 810 ALA N . 50213 1 27 . 1 . 1 11 11 SER H H 1 7.922 0.000 . 1 . . . . . 811 SER H . 50213 1 28 . 1 . 1 11 11 SER C C 13 174.694 0.000 . 1 . . . . . 811 SER C . 50213 1 29 . 1 . 1 11 11 SER CA C 13 57.991 0.000 . 1 . . . . . 811 SER CA . 50213 1 30 . 1 . 1 11 11 SER CB C 13 63.064 0.000 . 1 . . . . . 811 SER CB . 50213 1 31 . 1 . 1 11 11 SER N N 15 114.232 0.000 . 1 . . . . . 811 SER N . 50213 1 32 . 1 . 1 12 12 LEU H H 1 7.718 0.000 . 1 . . . . . 812 LEU H . 50213 1 33 . 1 . 1 12 12 LEU N N 15 123.400 0.000 . 1 . . . . . 812 LEU N . 50213 1 34 . 1 . 1 13 13 ASP H H 1 8.053 0.000 . 1 . . . . . 813 ASP H . 50213 1 35 . 1 . 1 13 13 ASP C C 13 175.988 0.000 . 1 . . . . . 813 ASP C . 50213 1 36 . 1 . 1 13 13 ASP CA C 13 53.931 0.000 . 1 . . . . . 813 ASP CA . 50213 1 37 . 1 . 1 13 13 ASP CB C 13 41.270 0.000 . 1 . . . . . 813 ASP CB . 50213 1 38 . 1 . 1 13 13 ASP N N 15 120.812 0.000 . 1 . . . . . 813 ASP N . 50213 1 39 . 1 . 1 14 14 ASP H H 1 8.117 0.000 . 1 . . . . . 814 ASP H . 50213 1 40 . 1 . 1 14 14 ASP CA C 13 54.695 0.000 . 1 . . . . . 814 ASP CA . 50213 1 41 . 1 . 1 14 14 ASP CB C 13 40.437 0.000 . 1 . . . . . 814 ASP CB . 50213 1 42 . 1 . 1 14 14 ASP N N 15 121.286 0.000 . 1 . . . . . 814 ASP N . 50213 1 43 . 1 . 1 15 15 THR CA C 13 63.080 0.000 . 1 . . . . . 815 THR CA . 50213 1 44 . 1 . 1 15 15 THR CB C 13 68.609 0.000 . 1 . . . . . 815 THR CB . 50213 1 45 . 1 . 1 16 16 SER H H 1 8.103 0.000 . 1 . . . . . 816 SER H . 50213 1 46 . 1 . 1 16 16 SER C C 13 174.870 0.000 . 1 . . . . . 816 SER C . 50213 1 47 . 1 . 1 16 16 SER CA C 13 59.261 0.000 . 1 . . . . . 816 SER CA . 50213 1 48 . 1 . 1 16 16 SER CB C 13 62.770 0.000 . 1 . . . . . 816 SER CB . 50213 1 49 . 1 . 1 16 16 SER N N 15 117.457 0.000 . 1 . . . . . 816 SER N . 50213 1 50 . 1 . 1 17 17 LYS H H 1 7.957 0.000 . 1 . . . . . 817 LYS H . 50213 1 51 . 1 . 1 17 17 LYS C C 13 177.010 0.000 . 1 . . . . . 817 LYS C . 50213 1 52 . 1 . 1 17 17 LYS CA C 13 55.107 0.000 . 1 . . . . . 817 LYS CA . 50213 1 53 . 1 . 1 17 17 LYS N N 15 122.483 0.000 . 1 . . . . . 817 LYS N . 50213 1 54 . 1 . 1 18 18 LYS H H 1 7.804 0.034 . 1 . . . . . 818 LYS H . 50213 1 55 . 1 . 1 18 18 LYS C C 13 177.560 0.104 . 1 . . . . . 818 LYS C . 50213 1 56 . 1 . 1 18 18 LYS CA C 13 55.539 0.000 . 1 . . . . . 818 LYS CA . 50213 1 57 . 1 . 1 18 18 LYS N N 15 120.976 0.128 . 1 . . . . . 818 LYS N . 50213 1 58 . 1 . 1 19 19 GLU H H 1 8.095 0.039 . 1 . . . . . 819 GLU H . 50213 1 59 . 1 . 1 19 19 GLU CA C 13 57.844 0.000 . 1 . . . . . 819 GLU CA . 50213 1 60 . 1 . 1 19 19 GLU N N 15 121.243 0.223 . 1 . . . . . 819 GLU N . 50213 1 61 . 1 . 1 22 22 THR H H 1 7.982 0.000 . 1 . . . . . 822 THR H . 50213 1 62 . 1 . 1 22 22 THR N N 15 113.354 0.000 . 1 . . . . . 822 THR N . 50213 1 63 . 1 . 1 23 23 PHE H H 1 7.909 0.007 . 1 . . . . . 823 PHE H . 50213 1 64 . 1 . 1 23 23 PHE N N 15 121.564 0.099 . 1 . . . . . 823 PHE N . 50213 1 65 . 1 . 1 24 24 LEU H H 1 7.956 0.007 . 1 . . . . . 824 LEU H . 50213 1 66 . 1 . 1 24 24 LEU C C 13 177.378 0.015 . 1 . . . . . 824 LEU C . 50213 1 67 . 1 . 1 24 24 LEU N N 15 121.676 0.033 . 1 . . . . . 824 LEU N . 50213 1 68 . 1 . 1 25 25 GLU H H 1 7.808 0.050 . 1 . . . . . 825 GLU H . 50213 1 69 . 1 . 1 25 25 GLU N N 15 120.290 0.160 . 1 . . . . . 825 GLU N . 50213 1 70 . 1 . 1 26 26 GLY H H 1 7.930 0.000 . 1 . . . . . 826 GLY H . 50213 1 71 . 1 . 1 26 26 GLY C C 13 174.498 0.000 . 1 . . . . . 826 GLY C . 50213 1 72 . 1 . 1 26 26 GLY CA C 13 44.962 0.000 . 1 . . . . . 826 GLY CA . 50213 1 73 . 1 . 1 26 26 GLY N N 15 108.227 0.000 . 1 . . . . . 826 GLY N . 50213 1 74 . 1 . 1 27 27 GLU H H 1 8.053 0.000 . 1 . . . . . 827 GLU H . 50213 1 75 . 1 . 1 27 27 GLU C C 13 175.494 0.000 . 1 . . . . . 827 GLU C . 50213 1 76 . 1 . 1 27 27 GLU CA C 13 56.136 0.000 . 1 . . . . . 827 GLU CA . 50213 1 77 . 1 . 1 27 27 GLU CB C 13 29.524 0.000 . 1 . . . . . 827 GLU CB . 50213 1 78 . 1 . 1 27 27 GLU N N 15 120.600 0.000 . 1 . . . . . 827 GLU N . 50213 1 79 . 1 . 1 32 32 LYS H H 1 8.819 0.000 . 1 . . . . . 832 LYS H . 50213 1 80 . 1 . 1 32 32 LYS CA C 13 60.453 0.000 . 1 . . . . . 832 LYS CA . 50213 1 81 . 1 . 1 32 32 LYS CB C 13 32.668 0.000 . 1 . . . . . 832 LYS CB . 50213 1 82 . 1 . 1 32 32 LYS N N 15 119.956 0.000 . 1 . . . . . 832 LYS N . 50213 1 83 . 1 . 1 33 33 VAL H H 1 9.718 0.000 . 1 . . . . . 833 VAL H . 50213 1 84 . 1 . 1 33 33 VAL CA C 13 62.135 0.000 . 1 . . . . . 833 VAL CA . 50213 1 85 . 1 . 1 33 33 VAL N N 15 126.804 0.000 . 1 . . . . . 833 VAL N . 50213 1 86 . 1 . 1 34 34 GLN H H 1 8.609 0.000 . 1 . . . . . 834 GLN H . 50213 1 87 . 1 . 1 34 34 GLN N N 15 118.082 0.000 . 1 . . . . . 834 GLN N . 50213 1 88 . 1 . 1 38 38 HIS H H 1 8.013 0.011 . 1 . . . . . 838 HIS H . 50213 1 89 . 1 . 1 38 38 HIS N N 15 121.944 0.091 . 1 . . . . . 838 HIS N . 50213 1 90 . 1 . 1 39 39 GLN H H 1 7.699 0.047 . 1 . . . . . 839 GLN H . 50213 1 91 . 1 . 1 39 39 GLN N N 15 120.998 0.219 . 1 . . . . . 839 GLN N . 50213 1 92 . 1 . 1 41 41 THR H H 1 8.553 0.000 . 1 . . . . . 841 THR H . 50213 1 93 . 1 . 1 41 41 THR N N 15 117.890 0.000 . 1 . . . . . 841 THR N . 50213 1 94 . 1 . 1 42 42 ASN H H 1 7.419 0.000 . 1 . . . . . 842 ASN H . 50213 1 95 . 1 . 1 42 42 ASN N N 15 119.394 0.000 . 1 . . . . . 842 ASN N . 50213 1 96 . 1 . 1 43 43 ILE H H 1 7.460 0.000 . 1 . . . . . 843 ILE H . 50213 1 97 . 1 . 1 43 43 ILE CA C 13 64.149 0.000 . 1 . . . . . 843 ILE CA . 50213 1 98 . 1 . 1 43 43 ILE N N 15 116.517 0.000 . 1 . . . . . 843 ILE N . 50213 1 99 . 1 . 1 45 45 PHE H H 1 9.397 0.000 . 1 . . . . . 845 PHE H . 50213 1 100 . 1 . 1 45 45 PHE CA C 13 62.733 0.000 . 1 . . . . . 845 PHE CA . 50213 1 101 . 1 . 1 45 45 PHE CB C 13 38.864 0.000 . 1 . . . . . 845 PHE CB . 50213 1 102 . 1 . 1 45 45 PHE N N 15 124.373 0.000 . 1 . . . . . 845 PHE N . 50213 1 103 . 1 . 1 46 46 LYS H H 1 7.494 0.000 . 1 . . . . . 846 LYS H . 50213 1 104 . 1 . 1 46 46 LYS C C 13 178.663 0.000 . 1 . . . . . 846 LYS C . 50213 1 105 . 1 . 1 46 46 LYS CA C 13 59.194 0.000 . 1 . . . . . 846 LYS CA . 50213 1 106 . 1 . 1 46 46 LYS CB C 13 31.693 0.000 . 1 . . . . . 846 LYS CB . 50213 1 107 . 1 . 1 46 46 LYS N N 15 115.272 0.000 . 1 . . . . . 846 LYS N . 50213 1 108 . 1 . 1 47 47 LYS H H 1 7.188 0.000 . 1 . . . . . 847 LYS H . 50213 1 109 . 1 . 1 47 47 LYS C C 13 176.063 0.000 . 1 . . . . . 847 LYS C . 50213 1 110 . 1 . 1 47 47 LYS CA C 13 55.872 0.000 . 1 . . . . . 847 LYS CA . 50213 1 111 . 1 . 1 47 47 LYS CB C 13 32.926 0.000 . 1 . . . . . 847 LYS CB . 50213 1 112 . 1 . 1 47 47 LYS N N 15 113.870 0.000 . 1 . . . . . 847 LYS N . 50213 1 113 . 1 . 1 48 48 CYS H H 1 8.275 0.000 . 1 . . . . . 848 CYS H . 50213 1 114 . 1 . 1 48 48 CYS CA C 13 63.181 0.000 . 1 . . . . . 848 CYS CA . 50213 1 115 . 1 . 1 48 48 CYS N N 15 116.164 0.000 . 1 . . . . . 848 CYS N . 50213 1 116 . 1 . 1 50 50 GLU H H 1 8.964 0.000 . 1 . . . . . 850 GLU H . 50213 1 117 . 1 . 1 50 50 GLU C C 13 176.748 0.000 . 1 . . . . . 850 GLU C . 50213 1 118 . 1 . 1 50 50 GLU CA C 13 56.896 0.000 . 1 . . . . . 850 GLU CA . 50213 1 119 . 1 . 1 50 50 GLU CB C 13 29.848 0.000 . 1 . . . . . 850 GLU CB . 50213 1 120 . 1 . 1 50 50 GLU N N 15 127.544 0.000 . 1 . . . . . 850 GLU N . 50213 1 121 . 1 . 1 51 51 SER H H 1 7.717 0.000 . 1 . . . . . 851 SER H . 50213 1 122 . 1 . 1 51 51 SER C C 13 173.325 0.000 . 1 . . . . . 851 SER C . 50213 1 123 . 1 . 1 51 51 SER CA C 13 56.177 0.000 . 1 . . . . . 851 SER CA . 50213 1 124 . 1 . 1 51 51 SER CB C 13 64.359 0.000 . 1 . . . . . 851 SER CB . 50213 1 125 . 1 . 1 51 51 SER N N 15 112.332 0.000 . 1 . . . . . 851 SER N . 50213 1 126 . 1 . 1 52 52 VAL H H 1 8.752 0.000 . 1 . . . . . 852 VAL H . 50213 1 127 . 1 . 1 52 52 VAL C C 13 173.619 0.000 . 1 . . . . . 852 VAL C . 50213 1 128 . 1 . 1 52 52 VAL CA C 13 60.717 0.000 . 1 . . . . . 852 VAL CA . 50213 1 129 . 1 . 1 52 52 VAL CB C 13 30.576 0.000 . 1 . . . . . 852 VAL CB . 50213 1 130 . 1 . 1 52 52 VAL N N 15 120.236 0.000 . 1 . . . . . 852 VAL N . 50213 1 131 . 1 . 1 53 53 ASN H H 1 7.937 0.000 . 1 . . . . . 853 ASN H . 50213 1 132 . 1 . 1 53 53 ASN C C 13 173.511 0.000 . 1 . . . . . 853 ASN C . 50213 1 133 . 1 . 1 53 53 ASN CA C 13 50.652 0.000 . 1 . . . . . 853 ASN CA . 50213 1 134 . 1 . 1 53 53 ASN CB C 13 38.726 0.000 . 1 . . . . . 853 ASN CB . 50213 1 135 . 1 . 1 53 53 ASN N N 15 118.566 0.000 . 1 . . . . . 853 ASN N . 50213 1 136 . 1 . 1 54 54 ASP H H 1 7.721 0.000 . 1 . . . . . 854 ASP H . 50213 1 137 . 1 . 1 54 54 ASP C C 13 174.449 0.000 . 1 . . . . . 854 ASP C . 50213 1 138 . 1 . 1 54 54 ASP CA C 13 52.633 0.000 . 1 . . . . . 854 ASP CA . 50213 1 139 . 1 . 1 54 54 ASP CB C 13 41.831 0.000 . 1 . . . . . 854 ASP CB . 50213 1 140 . 1 . 1 54 54 ASP N N 15 117.954 0.000 . 1 . . . . . 854 ASP N . 50213 1 141 . 1 . 1 55 55 SER H H 1 8.136 0.000 . 1 . . . . . 855 SER H . 50213 1 142 . 1 . 1 55 55 SER C C 13 173.794 0.000 . 1 . . . . . 855 SER C . 50213 1 143 . 1 . 1 55 55 SER CA C 13 58.530 0.000 . 1 . . . . . 855 SER CA . 50213 1 144 . 1 . 1 55 55 SER CB C 13 63.432 0.000 . 1 . . . . . 855 SER CB . 50213 1 145 . 1 . 1 55 55 SER N N 15 113.826 0.000 . 1 . . . . . 855 SER N . 50213 1 146 . 1 . 1 56 56 ASN H H 1 7.895 0.000 . 1 . . . . . 856 ASN H . 50213 1 147 . 1 . 1 56 56 ASN C C 13 174.829 0.000 . 1 . . . . . 856 ASN C . 50213 1 148 . 1 . 1 56 56 ASN CA C 13 52.087 0.000 . 1 . . . . . 856 ASN CA . 50213 1 149 . 1 . 1 56 56 ASN CB C 13 39.614 0.000 . 1 . . . . . 856 ASN CB . 50213 1 150 . 1 . 1 56 56 ASN N N 15 118.998 0.000 . 1 . . . . . 856 ASN N . 50213 1 151 . 1 . 1 57 57 LEU H H 1 8.325 0.000 . 1 . . . . . 857 LEU H . 50213 1 152 . 1 . 1 57 57 LEU C C 13 177.867 0.000 . 1 . . . . . 857 LEU C . 50213 1 153 . 1 . 1 57 57 LEU CA C 13 53.334 0.000 . 1 . . . . . 857 LEU CA . 50213 1 154 . 1 . 1 57 57 LEU CB C 13 42.413 0.000 . 1 . . . . . 857 LEU CB . 50213 1 155 . 1 . 1 57 57 LEU N N 15 120.521 0.000 . 1 . . . . . 857 LEU N . 50213 1 156 . 1 . 1 58 58 SER H H 1 9.735 0.000 . 1 . . . . . 858 SER H . 50213 1 157 . 1 . 1 58 58 SER C C 13 175.282 0.000 . 1 . . . . . 858 SER C . 50213 1 158 . 1 . 1 58 58 SER CA C 13 56.403 0.000 . 1 . . . . . 858 SER CA . 50213 1 159 . 1 . 1 58 58 SER CB C 13 64.887 0.000 . 1 . . . . . 858 SER CB . 50213 1 160 . 1 . 1 58 58 SER N N 15 122.634 0.000 . 1 . . . . . 858 SER N . 50213 1 161 . 1 . 1 59 59 SER H H 1 9.019 0.000 . 1 . . . . . 859 SER H . 50213 1 162 . 1 . 1 59 59 SER CA C 13 61.428 0.000 . 1 . . . . . 859 SER CA . 50213 1 163 . 1 . 1 59 59 SER N N 15 117.538 0.000 . 1 . . . . . 859 SER N . 50213 1 164 . 1 . 1 60 60 GLN H H 1 8.237 0.000 . 1 . . . . . 860 GLN H . 50213 1 165 . 1 . 1 60 60 GLN C C 13 179.196 0.000 . 1 . . . . . 860 GLN C . 50213 1 166 . 1 . 1 60 60 GLN CA C 13 59.076 0.000 . 1 . . . . . 860 GLN CA . 50213 1 167 . 1 . 1 60 60 GLN CB C 13 27.363 0.000 . 1 . . . . . 860 GLN CB . 50213 1 168 . 1 . 1 60 60 GLN N N 15 120.966 0.000 . 1 . . . . . 860 GLN N . 50213 1 169 . 1 . 1 61 61 GLU H H 1 7.981 0.000 . 1 . . . . . 861 GLU H . 50213 1 170 . 1 . 1 61 61 GLU C C 13 178.708 0.000 . 1 . . . . . 861 GLU C . 50213 1 171 . 1 . 1 61 61 GLU CA C 13 59.368 0.000 . 1 . . . . . 861 GLU CA . 50213 1 172 . 1 . 1 61 61 GLU CB C 13 29.745 0.000 . 1 . . . . . 861 GLU CB . 50213 1 173 . 1 . 1 61 61 GLU N N 15 122.068 0.000 . 1 . . . . . 861 GLU N . 50213 1 174 . 1 . 1 62 62 GLU H H 1 8.507 0.000 . 1 . . . . . 862 GLU H . 50213 1 175 . 1 . 1 62 62 GLU C C 13 178.404 0.000 . 1 . . . . . 862 GLU C . 50213 1 176 . 1 . 1 62 62 GLU CA C 13 60.494 0.000 . 1 . . . . . 862 GLU CA . 50213 1 177 . 1 . 1 62 62 GLU CB C 13 28.718 0.000 . 1 . . . . . 862 GLU CB . 50213 1 178 . 1 . 1 62 62 GLU N N 15 118.826 0.000 . 1 . . . . . 862 GLU N . 50213 1 179 . 1 . 1 63 63 GLN H H 1 8.104 0.000 . 1 . . . . . 863 GLN H . 50213 1 180 . 1 . 1 63 63 GLN C C 13 177.453 0.000 . 1 . . . . . 863 GLN C . 50213 1 181 . 1 . 1 63 63 GLN CA C 13 58.269 0.000 . 1 . . . . . 863 GLN CA . 50213 1 182 . 1 . 1 63 63 GLN CB C 13 28.093 0.000 . 1 . . . . . 863 GLN CB . 50213 1 183 . 1 . 1 63 63 GLN N N 15 118.438 0.000 . 1 . . . . . 863 GLN N . 50213 1 184 . 1 . 1 64 64 CYS H H 1 8.154 0.000 . 1 . . . . . 864 CYS H . 50213 1 185 . 1 . 1 64 64 CYS C C 13 176.340 0.000 . 1 . . . . . 864 CYS C . 50213 1 186 . 1 . 1 64 64 CYS CA C 13 59.982 0.000 . 1 . . . . . 864 CYS CA . 50213 1 187 . 1 . 1 64 64 CYS CB C 13 34.133 0.000 . 1 . . . . . 864 CYS CB . 50213 1 188 . 1 . 1 64 64 CYS N N 15 118.874 0.000 . 1 . . . . . 864 CYS N . 50213 1 189 . 1 . 1 65 65 LEU H H 1 8.513 0.000 . 1 . . . . . 865 LEU H . 50213 1 190 . 1 . 1 65 65 LEU C C 13 178.015 0.000 . 1 . . . . . 865 LEU C . 50213 1 191 . 1 . 1 65 65 LEU CA C 13 58.419 0.000 . 1 . . . . . 865 LEU CA . 50213 1 192 . 1 . 1 65 65 LEU CB C 13 41.901 0.000 . 1 . . . . . 865 LEU CB . 50213 1 193 . 1 . 1 65 65 LEU N N 15 121.310 0.000 . 1 . . . . . 865 LEU N . 50213 1 194 . 1 . 1 66 66 SER H H 1 7.868 0.000 . 1 . . . . . 866 SER H . 50213 1 195 . 1 . 1 66 66 SER CA C 13 61.095 0.000 . 1 . . . . . 866 SER CA . 50213 1 196 . 1 . 1 66 66 SER CB C 13 62.136 0.000 . 1 . . . . . 866 SER CB . 50213 1 197 . 1 . 1 66 66 SER N N 15 112.955 0.000 . 1 . . . . . 866 SER N . 50213 1 198 . 1 . 1 67 67 ASN H H 1 8.687 0.000 . 1 . . . . . 867 ASN H . 50213 1 199 . 1 . 1 67 67 ASN CA C 13 55.452 0.000 . 1 . . . . . 867 ASN CA . 50213 1 200 . 1 . 1 67 67 ASN CB C 13 37.064 0.000 . 1 . . . . . 867 ASN CB . 50213 1 201 . 1 . 1 67 67 ASN N N 15 121.382 0.000 . 1 . . . . . 867 ASN N . 50213 1 202 . 1 . 1 68 68 CYS H H 1 9.336 0.000 . 1 . . . . . 868 CYS H . 50213 1 203 . 1 . 1 68 68 CYS CA C 13 60.491 0.000 . 1 . . . . . 868 CYS CA . 50213 1 204 . 1 . 1 68 68 CYS CB C 13 42.532 0.000 . 1 . . . . . 868 CYS CB . 50213 1 205 . 1 . 1 68 68 CYS N N 15 121.811 0.000 . 1 . . . . . 868 CYS N . 50213 1 206 . 1 . 1 69 69 VAL H H 1 7.763 0.000 . 1 . . . . . 869 VAL H . 50213 1 207 . 1 . 1 69 69 VAL C C 13 176.380 0.000 . 1 . . . . . 869 VAL C . 50213 1 208 . 1 . 1 69 69 VAL CA C 13 64.721 0.000 . 1 . . . . . 869 VAL CA . 50213 1 209 . 1 . 1 69 69 VAL CB C 13 30.027 0.000 . 1 . . . . . 869 VAL CB . 50213 1 210 . 1 . 1 69 69 VAL N N 15 118.443 0.000 . 1 . . . . . 869 VAL N . 50213 1 211 . 1 . 1 70 70 ASN H H 1 7.566 0.000 . 1 . . . . . 870 ASN H . 50213 1 212 . 1 . 1 70 70 ASN CA C 13 57.635 0.000 . 1 . . . . . 870 ASN CA . 50213 1 213 . 1 . 1 70 70 ASN N N 15 120.722 0.000 . 1 . . . . . 870 ASN N . 50213 1 214 . 1 . 1 71 71 ARG H H 1 9.223 0.000 . 1 . . . . . 871 ARG H . 50213 1 215 . 1 . 1 71 71 ARG C C 13 176.266 0.000 . 1 . . . . . 871 ARG C . 50213 1 216 . 1 . 1 71 71 ARG CA C 13 57.545 0.000 . 1 . . . . . 871 ARG CA . 50213 1 217 . 1 . 1 71 71 ARG CB C 13 30.795 0.000 . 1 . . . . . 871 ARG CB . 50213 1 218 . 1 . 1 71 71 ARG N N 15 117.744 0.000 . 1 . . . . . 871 ARG N . 50213 1 219 . 1 . 1 72 72 PHE H H 1 8.926 0.000 . 1 . . . . . 872 PHE H . 50213 1 220 . 1 . 1 72 72 PHE CA C 13 62.367 0.000 . 1 . . . . . 872 PHE CA . 50213 1 221 . 1 . 1 72 72 PHE CB C 13 37.345 0.000 . 1 . . . . . 872 PHE CB . 50213 1 222 . 1 . 1 72 72 PHE N N 15 127.476 0.000 . 1 . . . . . 872 PHE N . 50213 1 223 . 1 . 1 73 73 LEU H H 1 8.383 0.000 . 1 . . . . . 873 LEU H . 50213 1 224 . 1 . 1 73 73 LEU N N 15 122.145 0.000 . 1 . . . . . 873 LEU N . 50213 1 225 . 1 . 1 74 74 ASP H H 1 8.395 0.000 . 1 . . . . . 874 ASP H . 50213 1 226 . 1 . 1 74 74 ASP CA C 13 57.283 0.000 . 1 . . . . . 874 ASP CA . 50213 1 227 . 1 . 1 74 74 ASP CB C 13 40.282 0.000 . 1 . . . . . 874 ASP CB . 50213 1 228 . 1 . 1 74 74 ASP N N 15 119.004 0.000 . 1 . . . . . 874 ASP N . 50213 1 229 . 1 . 1 75 75 THR H H 1 8.000 0.000 . 1 . . . . . 875 THR H . 50213 1 230 . 1 . 1 75 75 THR N N 15 119.649 0.000 . 1 . . . . . 875 THR N . 50213 1 231 . 1 . 1 78 78 ARG H H 1 7.588 0.000 . 1 . . . . . 878 ARG H . 50213 1 232 . 1 . 1 78 78 ARG CA C 13 58.542 0.000 . 1 . . . . . 878 ARG CA . 50213 1 233 . 1 . 1 78 78 ARG CB C 13 29.350 0.000 . 1 . . . . . 878 ARG CB . 50213 1 234 . 1 . 1 78 78 ARG N N 15 120.023 0.000 . 1 . . . . . 878 ARG N . 50213 1 235 . 1 . 1 79 79 ILE H H 1 8.268 0.000 . 1 . . . . . 879 ILE H . 50213 1 236 . 1 . 1 79 79 ILE C C 13 176.703 0.000 . 1 . . . . . 879 ILE C . 50213 1 237 . 1 . 1 79 79 ILE N N 15 121.492 0.000 . 1 . . . . . 879 ILE N . 50213 1 238 . 1 . 1 81 81 ASN H H 1 8.076 0.000 . 1 . . . . . 881 ASN H . 50213 1 239 . 1 . 1 81 81 ASN C C 13 177.981 0.000 . 1 . . . . . 881 ASN C . 50213 1 240 . 1 . 1 81 81 ASN CA C 13 55.645 0.000 . 1 . . . . . 881 ASN CA . 50213 1 241 . 1 . 1 81 81 ASN CB C 13 37.653 0.000 . 1 . . . . . 881 ASN CB . 50213 1 242 . 1 . 1 81 81 ASN N N 15 117.038 0.000 . 1 . . . . . 881 ASN N . 50213 1 243 . 1 . 1 82 82 GLY H H 1 8.104 0.000 . 1 . . . . . 882 GLY H . 50213 1 244 . 1 . 1 82 82 GLY N N 15 108.979 0.000 . 1 . . . . . 882 GLY N . 50213 1 245 . 1 . 1 83 83 LEU H H 1 8.059 0.000 . 1 . . . . . 883 LEU H . 50213 1 246 . 1 . 1 83 83 LEU CA C 13 56.222 0.000 . 1 . . . . . 883 LEU CA . 50213 1 247 . 1 . 1 83 83 LEU CB C 13 41.459 0.000 . 1 . . . . . 883 LEU CB . 50213 1 248 . 1 . 1 83 83 LEU N N 15 122.336 0.000 . 1 . . . . . 883 LEU N . 50213 1 249 . 1 . 1 84 84 GLN H H 1 7.670 0.000 . 1 . . . . . 884 GLN H . 50213 1 250 . 1 . 1 84 84 GLN C C 13 176.338 0.000 . 1 . . . . . 884 GLN C . 50213 1 251 . 1 . 1 84 84 GLN CA C 13 56.644 0.000 . 1 . . . . . 884 GLN CA . 50213 1 252 . 1 . 1 84 84 GLN CB C 13 28.211 0.000 . 1 . . . . . 884 GLN CB . 50213 1 253 . 1 . 1 84 84 GLN N N 15 117.072 0.000 . 1 . . . . . 884 GLN N . 50213 1 254 . 1 . 1 85 85 ASN H H 1 7.737 0.000 . 1 . . . . . 885 ASN H . 50213 1 255 . 1 . 1 85 85 ASN C C 13 175.025 0.000 . 1 . . . . . 885 ASN C . 50213 1 256 . 1 . 1 85 85 ASN CA C 13 53.099 0.000 . 1 . . . . . 885 ASN CA . 50213 1 257 . 1 . 1 85 85 ASN CB C 13 38.501 0.000 . 1 . . . . . 885 ASN CB . 50213 1 258 . 1 . 1 85 85 ASN N N 15 117.482 0.000 . 1 . . . . . 885 ASN N . 50213 1 259 . 1 . 1 86 86 THR H H 1 7.729 0.000 . 1 . . . . . 886 THR H . 50213 1 260 . 1 . 1 86 86 THR C C 13 173.464 0.000 . 1 . . . . . 886 THR C . 50213 1 261 . 1 . 1 86 86 THR CA C 13 61.920 0.000 . 1 . . . . . 886 THR CA . 50213 1 262 . 1 . 1 86 86 THR CB C 13 69.187 0.000 . 1 . . . . . 886 THR CB . 50213 1 263 . 1 . 1 86 86 THR N N 15 114.885 0.000 . 1 . . . . . 886 THR N . 50213 1 264 . 1 . 1 87 87 ARG H H 1 7.781 0.000 . 1 . . . . . 887 ARG H . 50213 1 265 . 1 . 1 87 87 ARG C C 13 180.811 0.000 . 1 . . . . . 887 ARG C . 50213 1 266 . 1 . 1 87 87 ARG CA C 13 56.995 0.000 . 1 . . . . . 887 ARG CA . 50213 1 267 . 1 . 1 87 87 ARG CB C 13 30.507 0.000 . 1 . . . . . 887 ARG CB . 50213 1 268 . 1 . 1 87 87 ARG N N 15 128.943 0.000 . 1 . . . . . 887 ARG N . 50213 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50213 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Tim8_60C _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N BEST-TROSY HSQC' . . . 50213 2 9 '3D BEST-TROSY HNCO' . . . 50213 2 10 '3D BEST-TROSY HNCA' . . . 50213 2 11 '3D BEST-TROSY HN(CO)CA' . . . 50213 2 12 '3D BEST-TROSY HN(COCA)CB' . . . 50213 2 13 '3D BEST-TROSY HN(CA)CO' . . . 50213 2 14 '3D BEST-TROSY HN(CA)CB' . . . 50213 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50213 2 2 $software_2 . . 50213 2 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 8 8 ASP H H 1 8.068 0.000 . 1 . . . . . 808 ASP H . 50213 2 2 . 1 . 1 8 8 ASP C C 13 176.380 0.000 . 1 . . . . . 808 ASP C . 50213 2 3 . 1 . 1 8 8 ASP CA C 13 54.493 0.000 . 1 . . . . . 808 ASP CA . 50213 2 4 . 1 . 1 8 8 ASP CB C 13 40.619 0.000 . 1 . . . . . 808 ASP CB . 50213 2 5 . 1 . 1 8 8 ASP N N 15 122.220 0.000 . 1 . . . . . 808 ASP N . 50213 2 6 . 1 . 1 9 9 LEU H H 1 7.846 0.000 . 1 . . . . . 809 LEU H . 50213 2 7 . 1 . 1 9 9 LEU C C 13 177.306 0.000 . 1 . . . . . 809 LEU C . 50213 2 8 . 1 . 1 9 9 LEU CA C 13 55.384 0.000 . 1 . . . . . 809 LEU CA . 50213 2 9 . 1 . 1 9 9 LEU CB C 13 41.218 0.000 . 1 . . . . . 809 LEU CB . 50213 2 10 . 1 . 1 9 9 LEU N N 15 121.709 0.000 . 1 . . . . . 809 LEU N . 50213 2 11 . 1 . 1 10 10 ALA H H 1 7.896 0.000 . 1 . . . . . 810 ALA H . 50213 2 12 . 1 . 1 10 10 ALA C C 13 177.801 0.000 . 1 . . . . . 810 ALA C . 50213 2 13 . 1 . 1 10 10 ALA CA C 13 52.597 0.000 . 1 . . . . . 810 ALA CA . 50213 2 14 . 1 . 1 10 10 ALA CB C 13 18.330 0.000 . 1 . . . . . 810 ALA CB . 50213 2 15 . 1 . 1 10 10 ALA N N 15 123.019 0.000 . 1 . . . . . 810 ALA N . 50213 2 16 . 1 . 1 11 11 SER H H 1 7.826 0.000 . 1 . . . . . 811 SER H . 50213 2 17 . 1 . 1 11 11 SER CA C 13 57.994 0.000 . 1 . . . . . 811 SER CA . 50213 2 18 . 1 . 1 11 11 SER CB C 13 63.236 0.000 . 1 . . . . . 811 SER CB . 50213 2 19 . 1 . 1 11 11 SER N N 15 113.716 0.000 . 1 . . . . . 811 SER N . 50213 2 20 . 1 . 1 12 12 LEU H H 1 7.823 0.000 . 1 . . . . . 812 LEU H . 50213 2 21 . 1 . 1 12 12 LEU C C 13 176.902 0.000 . 1 . . . . . 812 LEU C . 50213 2 22 . 1 . 1 12 12 LEU CA C 13 55.033 0.000 . 1 . . . . . 812 LEU CA . 50213 2 23 . 1 . 1 12 12 LEU CB C 13 41.560 0.000 . 1 . . . . . 812 LEU CB . 50213 2 24 . 1 . 1 12 12 LEU N N 15 123.408 0.000 . 1 . . . . . 812 LEU N . 50213 2 25 . 1 . 1 13 13 ASP H H 1 7.983 0.000 . 1 . . . . . 813 ASP H . 50213 2 26 . 1 . 1 13 13 ASP C C 13 176.065 0.000 . 1 . . . . . 813 ASP C . 50213 2 27 . 1 . 1 13 13 ASP CA C 13 53.946 0.000 . 1 . . . . . 813 ASP CA . 50213 2 28 . 1 . 1 13 13 ASP CB C 13 40.920 0.000 . 1 . . . . . 813 ASP CB . 50213 2 29 . 1 . 1 13 13 ASP N N 15 120.435 0.000 . 1 . . . . . 813 ASP N . 50213 2 30 . 1 . 1 14 14 ASP H H 1 8.121 0.000 . 1 . . . . . 814 ASP H . 50213 2 31 . 1 . 1 14 14 ASP C C 13 177.366 0.000 . 1 . . . . . 814 ASP C . 50213 2 32 . 1 . 1 14 14 ASP CA C 13 55.000 0.000 . 1 . . . . . 814 ASP CA . 50213 2 33 . 1 . 1 14 14 ASP CB C 13 29.321 0.000 . 1 . . . . . 814 ASP CB . 50213 2 34 . 1 . 1 14 14 ASP N N 15 120.739 0.000 . 1 . . . . . 814 ASP N . 50213 2 35 . 1 . 1 15 15 THR H H 1 8.093 0.000 . 1 . . . . . 815 THR H . 50213 2 36 . 1 . 1 15 15 THR C C 13 175.692 0.000 . 1 . . . . . 815 THR C . 50213 2 37 . 1 . 1 15 15 THR CA C 13 63.440 0.000 . 1 . . . . . 815 THR CA . 50213 2 38 . 1 . 1 15 15 THR CB C 13 68.711 0.000 . 1 . . . . . 815 THR CB . 50213 2 39 . 1 . 1 15 15 THR N N 15 114.664 0.000 . 1 . . . . . 815 THR N . 50213 2 40 . 1 . 1 16 16 SER H H 1 8.164 0.000 . 1 . . . . . 816 SER H . 50213 2 41 . 1 . 1 16 16 SER C C 13 174.998 0.000 . 1 . . . . . 816 SER C . 50213 2 42 . 1 . 1 16 16 SER CA C 13 59.697 0.000 . 1 . . . . . 816 SER CA . 50213 2 43 . 1 . 1 16 16 SER CB C 13 62.944 0.000 . 1 . . . . . 816 SER CB . 50213 2 44 . 1 . 1 16 16 SER N N 15 118.120 0.000 . 1 . . . . . 816 SER N . 50213 2 45 . 1 . 1 17 17 LYS H H 1 7.865 0.000 . 1 . . . . . 817 LYS H . 50213 2 46 . 1 . 1 17 17 LYS N N 15 122.054 0.000 . 1 . . . . . 817 LYS N . 50213 2 47 . 1 . 1 19 19 GLU H H 1 8.085 0.000 . 1 . . . . . 819 GLU H . 50213 2 48 . 1 . 1 19 19 GLU C C 13 177.162 0.000 . 1 . . . . . 819 GLU C . 50213 2 49 . 1 . 1 19 19 GLU CA C 13 56.909 0.000 . 1 . . . . . 819 GLU CA . 50213 2 50 . 1 . 1 19 19 GLU CB C 13 29.237 0.000 . 1 . . . . . 819 GLU CB . 50213 2 51 . 1 . 1 19 19 GLU N N 15 120.919 0.000 . 1 . . . . . 819 GLU N . 50213 2 52 . 1 . 1 20 20 ILE H H 1 7.837 0.000 . 1 . . . . . 820 ILE H . 50213 2 53 . 1 . 1 20 20 ILE C C 13 175.999 0.000 . 1 . . . . . 820 ILE C . 50213 2 54 . 1 . 1 20 20 ILE CA C 13 61.578 0.000 . 1 . . . . . 820 ILE CA . 50213 2 55 . 1 . 1 20 20 ILE CB C 13 37.602 0.000 . 1 . . . . . 820 ILE CB . 50213 2 56 . 1 . 1 20 20 ILE N N 15 120.263 0.000 . 1 . . . . . 820 ILE N . 50213 2 57 . 1 . 1 21 21 ALA H H 1 7.973 0.000 . 1 . . . . . 821 ALA H . 50213 2 58 . 1 . 1 21 21 ALA C C 13 178.147 0.000 . 1 . . . . . 821 ALA C . 50213 2 59 . 1 . 1 21 21 ALA CA C 13 52.664 0.000 . 1 . . . . . 821 ALA CA . 50213 2 60 . 1 . 1 21 21 ALA CB C 13 18.194 0.000 . 1 . . . . . 821 ALA CB . 50213 2 61 . 1 . 1 21 21 ALA N N 15 125.438 0.000 . 1 . . . . . 821 ALA N . 50213 2 62 . 1 . 1 22 22 THR H H 1 7.792 0.000 . 1 . . . . . 822 THR H . 50213 2 63 . 1 . 1 22 22 THR C C 13 174.988 0.000 . 1 . . . . . 822 THR C . 50213 2 64 . 1 . 1 22 22 THR CA C 13 62.745 0.000 . 1 . . . . . 822 THR CA . 50213 2 65 . 1 . 1 22 22 THR CB C 13 69.147 0.000 . 1 . . . . . 822 THR CB . 50213 2 66 . 1 . 1 22 22 THR N N 15 112.462 0.000 . 1 . . . . . 822 THR N . 50213 2 67 . 1 . 1 23 23 PHE H H 1 7.838 0.000 . 1 . . . . . 823 PHE H . 50213 2 68 . 1 . 1 23 23 PHE C C 13 175.808 0.000 . 1 . . . . . 823 PHE C . 50213 2 69 . 1 . 1 23 23 PHE CA C 13 58.295 0.000 . 1 . . . . . 823 PHE CA . 50213 2 70 . 1 . 1 23 23 PHE N N 15 121.442 0.000 . 1 . . . . . 823 PHE N . 50213 2 71 . 1 . 1 24 24 LEU H H 1 7.905 0.000 . 1 . . . . . 824 LEU H . 50213 2 72 . 1 . 1 24 24 LEU CA C 13 55.245 0.000 . 1 . . . . . 824 LEU CA . 50213 2 73 . 1 . 1 24 24 LEU CB C 13 41.397 0.000 . 1 . . . . . 824 LEU CB . 50213 2 74 . 1 . 1 24 24 LEU N N 15 121.111 0.000 . 1 . . . . . 824 LEU N . 50213 2 75 . 1 . 1 25 25 GLU H H 1 7.872 0.000 . 1 . . . . . 825 GLU H . 50213 2 76 . 1 . 1 25 25 GLU C C 13 177.085 0.000 . 1 . . . . . 825 GLU C . 50213 2 77 . 1 . 1 25 25 GLU CA C 13 56.702 0.000 . 1 . . . . . 825 GLU CA . 50213 2 78 . 1 . 1 25 25 GLU CB C 13 29.608 0.000 . 1 . . . . . 825 GLU CB . 50213 2 79 . 1 . 1 25 25 GLU N N 15 120.124 0.000 . 1 . . . . . 825 GLU N . 50213 2 80 . 1 . 1 26 26 GLY H H 1 8.001 0.000 . 1 . . . . . 826 GLY H . 50213 2 81 . 1 . 1 26 26 GLY C C 13 174.580 0.000 . 1 . . . . . 826 GLY C . 50213 2 82 . 1 . 1 26 26 GLY CA C 13 45.212 0.000 . 1 . . . . . 826 GLY CA . 50213 2 83 . 1 . 1 26 26 GLY N N 15 108.826 0.000 . 1 . . . . . 826 GLY N . 50213 2 84 . 1 . 1 27 27 GLU H H 1 8.164 0.000 . 1 . . . . . 827 GLU H . 50213 2 85 . 1 . 1 27 27 GLU C C 13 176.899 0.000 . 1 . . . . . 827 GLU C . 50213 2 86 . 1 . 1 27 27 GLU CA C 13 57.040 0.000 . 1 . . . . . 827 GLU CA . 50213 2 87 . 1 . 1 27 27 GLU CB C 13 29.206 0.000 . 1 . . . . . 827 GLU CB . 50213 2 88 . 1 . 1 27 27 GLU N N 15 121.262 0.000 . 1 . . . . . 827 GLU N . 50213 2 89 . 1 . 1 31 31 GLN H H 1 7.529 0.000 . 1 . . . . . 831 GLN H . 50213 2 90 . 1 . 1 31 31 GLN C C 13 180.869 0.000 . 1 . . . . . 831 GLN C . 50213 2 91 . 1 . 1 31 31 GLN CA C 13 55.054 0.000 . 1 . . . . . 831 GLN CA . 50213 2 92 . 1 . 1 31 31 GLN CB C 13 17.642 0.000 . 1 . . . . . 831 GLN CB . 50213 2 93 . 1 . 1 31 31 GLN N N 15 120.772 0.000 . 1 . . . . . 831 GLN N . 50213 2 94 . 1 . 1 32 32 LYS H H 1 8.794 0.000 . 1 . . . . . 832 LYS H . 50213 2 95 . 1 . 1 32 32 LYS C C 13 180.317 0.000 . 1 . . . . . 832 LYS C . 50213 2 96 . 1 . 1 32 32 LYS CA C 13 60.489 0.000 . 1 . . . . . 832 LYS CA . 50213 2 97 . 1 . 1 32 32 LYS CB C 13 32.609 0.000 . 1 . . . . . 832 LYS CB . 50213 2 98 . 1 . 1 32 32 LYS N N 15 119.516 0.000 . 1 . . . . . 832 LYS N . 50213 2 99 . 1 . 1 33 33 VAL H H 1 9.563 0.000 . 1 . . . . . 833 VAL H . 50213 2 100 . 1 . 1 33 33 VAL C C 13 178.302 0.000 . 1 . . . . . 833 VAL C . 50213 2 101 . 1 . 1 33 33 VAL CA C 13 62.175 0.000 . 1 . . . . . 833 VAL CA . 50213 2 102 . 1 . 1 33 33 VAL CB C 13 37.423 0.000 . 1 . . . . . 833 VAL CB . 50213 2 103 . 1 . 1 33 33 VAL N N 15 126.519 0.000 . 1 . . . . . 833 VAL N . 50213 2 104 . 1 . 1 34 34 GLN H H 1 8.615 0.000 . 1 . . . . . 834 GLN H . 50213 2 105 . 1 . 1 34 34 GLN C C 13 180.084 0.000 . 1 . . . . . 834 GLN C . 50213 2 106 . 1 . 1 34 34 GLN N N 15 118.123 0.000 . 1 . . . . . 834 GLN N . 50213 2 107 . 1 . 1 38 38 HIS H H 1 8.076 0.000 . 1 . . . . . 838 HIS H . 50213 2 108 . 1 . 1 38 38 HIS C C 13 178.269 0.000 . 1 . . . . . 838 HIS C . 50213 2 109 . 1 . 1 38 38 HIS CA C 13 59.450 0.000 . 1 . . . . . 838 HIS CA . 50213 2 110 . 1 . 1 38 38 HIS CB C 13 30.153 0.000 . 1 . . . . . 838 HIS CB . 50213 2 111 . 1 . 1 38 38 HIS N N 15 121.401 0.000 . 1 . . . . . 838 HIS N . 50213 2 112 . 1 . 1 39 39 GLN H H 1 7.648 0.000 . 1 . . . . . 839 GLN H . 50213 2 113 . 1 . 1 39 39 GLN C C 13 178.670 0.000 . 1 . . . . . 839 GLN C . 50213 2 114 . 1 . 1 39 39 GLN CA C 13 58.365 0.000 . 1 . . . . . 839 GLN CA . 50213 2 115 . 1 . 1 39 39 GLN CB C 13 27.034 0.000 . 1 . . . . . 839 GLN CB . 50213 2 116 . 1 . 1 39 39 GLN N N 15 120.510 0.000 . 1 . . . . . 839 GLN N . 50213 2 117 . 1 . 1 40 40 PHE H H 1 8.050 0.000 . 1 . . . . . 840 PHE H . 50213 2 118 . 1 . 1 40 40 PHE C C 13 178.180 0.000 . 1 . . . . . 840 PHE C . 50213 2 119 . 1 . 1 40 40 PHE CB C 13 37.761 0.000 . 1 . . . . . 840 PHE CB . 50213 2 120 . 1 . 1 40 40 PHE N N 15 117.234 0.000 . 1 . . . . . 840 PHE N . 50213 2 121 . 1 . 1 41 41 THR H H 1 8.378 0.000 . 1 . . . . . 841 THR H . 50213 2 122 . 1 . 1 41 41 THR C C 13 175.108 0.000 . 1 . . . . . 841 THR C . 50213 2 123 . 1 . 1 41 41 THR CA C 13 67.491 0.000 . 1 . . . . . 841 THR CA . 50213 2 124 . 1 . 1 41 41 THR CB C 13 66.953 0.000 . 1 . . . . . 841 THR CB . 50213 2 125 . 1 . 1 41 41 THR N N 15 117.225 0.000 . 1 . . . . . 841 THR N . 50213 2 126 . 1 . 1 42 42 ASN H H 1 7.579 0.000 . 1 . . . . . 842 ASN H . 50213 2 127 . 1 . 1 42 42 ASN C C 13 176.753 0.000 . 1 . . . . . 842 ASN C . 50213 2 128 . 1 . 1 42 42 ASN CA C 13 57.055 0.000 . 1 . . . . . 842 ASN CA . 50213 2 129 . 1 . 1 42 42 ASN CB C 13 38.599 0.000 . 1 . . . . . 842 ASN CB . 50213 2 130 . 1 . 1 42 42 ASN N N 15 119.185 0.000 . 1 . . . . . 842 ASN N . 50213 2 131 . 1 . 1 43 43 ILE H H 1 7.455 0.000 . 1 . . . . . 843 ILE H . 50213 2 132 . 1 . 1 43 43 ILE C C 13 178.116 0.000 . 1 . . . . . 843 ILE C . 50213 2 133 . 1 . 1 43 43 ILE CA C 13 64.126 0.000 . 1 . . . . . 843 ILE CA . 50213 2 134 . 1 . 1 43 43 ILE CB C 13 38.074 0.000 . 1 . . . . . 843 ILE CB . 50213 2 135 . 1 . 1 43 43 ILE N N 15 116.474 0.000 . 1 . . . . . 843 ILE N . 50213 2 136 . 1 . 1 44 44 CYS H H 1 8.201 0.000 . 1 . . . . . 844 CYS H . 50213 2 137 . 1 . 1 44 44 CYS C C 13 176.916 0.000 . 1 . . . . . 844 CYS C . 50213 2 138 . 1 . 1 44 44 CYS CA C 13 56.928 0.000 . 1 . . . . . 844 CYS CA . 50213 2 139 . 1 . 1 44 44 CYS CB C 13 40.414 0.000 . 1 . . . . . 844 CYS CB . 50213 2 140 . 1 . 1 44 44 CYS N N 15 116.085 0.000 . 1 . . . . . 844 CYS N . 50213 2 141 . 1 . 1 45 45 PHE H H 1 9.258 0.000 . 1 . . . . . 845 PHE H . 50213 2 142 . 1 . 1 45 45 PHE C C 13 176.760 0.000 . 1 . . . . . 845 PHE C . 50213 2 143 . 1 . 1 45 45 PHE CA C 13 62.540 0.000 . 1 . . . . . 845 PHE CA . 50213 2 144 . 1 . 1 45 45 PHE CB C 13 39.186 0.000 . 1 . . . . . 845 PHE CB . 50213 2 145 . 1 . 1 45 45 PHE N N 15 123.635 0.000 . 1 . . . . . 845 PHE N . 50213 2 146 . 1 . 1 46 46 LYS H H 1 7.400 0.000 . 1 . . . . . 846 LYS H . 50213 2 147 . 1 . 1 46 46 LYS C C 13 178.774 0.000 . 1 . . . . . 846 LYS C . 50213 2 148 . 1 . 1 46 46 LYS CA C 13 59.462 0.000 . 1 . . . . . 846 LYS CA . 50213 2 149 . 1 . 1 46 46 LYS CB C 13 31.789 0.000 . 1 . . . . . 846 LYS CB . 50213 2 150 . 1 . 1 46 46 LYS N N 15 115.416 0.000 . 1 . . . . . 846 LYS N . 50213 2 151 . 1 . 1 47 47 LYS H H 1 7.290 0.000 . 1 . . . . . 847 LYS H . 50213 2 152 . 1 . 1 47 47 LYS C C 13 178.786 0.000 . 1 . . . . . 847 LYS C . 50213 2 153 . 1 . 1 47 47 LYS CA C 13 56.115 0.000 . 1 . . . . . 847 LYS CA . 50213 2 154 . 1 . 1 47 47 LYS CB C 13 32.977 0.000 . 1 . . . . . 847 LYS CB . 50213 2 155 . 1 . 1 47 47 LYS N N 15 113.576 0.000 . 1 . . . . . 847 LYS N . 50213 2 156 . 1 . 1 48 48 CYS H H 1 7.975 0.000 . 1 . . . . . 848 CYS H . 50213 2 157 . 1 . 1 48 48 CYS C C 13 174.348 0.000 . 1 . . . . . 848 CYS C . 50213 2 158 . 1 . 1 48 48 CYS CA C 13 55.113 0.000 . 1 . . . . . 848 CYS CA . 50213 2 159 . 1 . 1 48 48 CYS CB C 13 39.996 0.000 . 1 . . . . . 848 CYS CB . 50213 2 160 . 1 . 1 48 48 CYS N N 15 113.552 0.000 . 1 . . . . . 848 CYS N . 50213 2 161 . 1 . 1 49 49 VAL H H 1 7.676 0.000 . 1 . . . . . 849 VAL H . 50213 2 162 . 1 . 1 49 49 VAL C C 13 174.514 0.000 . 1 . . . . . 849 VAL C . 50213 2 163 . 1 . 1 49 49 VAL CA C 13 61.964 0.000 . 1 . . . . . 849 VAL CA . 50213 2 164 . 1 . 1 49 49 VAL CB C 13 29.374 0.000 . 1 . . . . . 849 VAL CB . 50213 2 165 . 1 . 1 49 49 VAL N N 15 121.361 0.000 . 1 . . . . . 849 VAL N . 50213 2 166 . 1 . 1 50 50 GLU H H 1 8.890 0.000 . 1 . . . . . 850 GLU H . 50213 2 167 . 1 . 1 50 50 GLU C C 13 176.713 0.000 . 1 . . . . . 850 GLU C . 50213 2 168 . 1 . 1 50 50 GLU CA C 13 57.014 0.000 . 1 . . . . . 850 GLU CA . 50213 2 169 . 1 . 1 50 50 GLU CB C 13 30.114 0.000 . 1 . . . . . 850 GLU CB . 50213 2 170 . 1 . 1 50 50 GLU N N 15 127.712 0.000 . 1 . . . . . 850 GLU N . 50213 2 171 . 1 . 1 51 51 SER H H 1 7.724 0.000 . 1 . . . . . 851 SER H . 50213 2 172 . 1 . 1 51 51 SER C C 13 173.564 0.000 . 1 . . . . . 851 SER C . 50213 2 173 . 1 . 1 51 51 SER CA C 13 56.316 0.000 . 1 . . . . . 851 SER CA . 50213 2 174 . 1 . 1 51 51 SER CB C 13 64.475 0.000 . 1 . . . . . 851 SER CB . 50213 2 175 . 1 . 1 51 51 SER N N 15 112.213 0.000 . 1 . . . . . 851 SER N . 50213 2 176 . 1 . 1 52 52 VAL H H 1 8.635 0.000 . 1 . . . . . 852 VAL H . 50213 2 177 . 1 . 1 52 52 VAL C C 13 173.688 0.000 . 1 . . . . . 852 VAL C . 50213 2 178 . 1 . 1 52 52 VAL CA C 13 60.936 0.000 . 1 . . . . . 852 VAL CA . 50213 2 179 . 1 . 1 52 52 VAL CB C 13 30.561 0.000 . 1 . . . . . 852 VAL CB . 50213 2 180 . 1 . 1 52 52 VAL N N 15 120.634 0.000 . 1 . . . . . 852 VAL N . 50213 2 181 . 1 . 1 53 53 ASN H H 1 7.803 0.000 . 1 . . . . . 853 ASN H . 50213 2 182 . 1 . 1 53 53 ASN C C 13 173.507 0.000 . 1 . . . . . 853 ASN C . 50213 2 183 . 1 . 1 53 53 ASN CA C 13 50.872 0.000 . 1 . . . . . 853 ASN CA . 50213 2 184 . 1 . 1 53 53 ASN CB C 13 39.988 0.000 . 1 . . . . . 853 ASN CB . 50213 2 185 . 1 . 1 53 53 ASN N N 15 118.222 0.000 . 1 . . . . . 853 ASN N . 50213 2 186 . 1 . 1 54 54 ASP H H 1 7.668 0.000 . 1 . . . . . 854 ASP H . 50213 2 187 . 1 . 1 54 54 ASP C C 13 174.586 0.000 . 1 . . . . . 854 ASP C . 50213 2 188 . 1 . 1 54 54 ASP CA C 13 52.819 0.000 . 1 . . . . . 854 ASP CA . 50213 2 189 . 1 . 1 54 54 ASP CB C 13 42.178 0.000 . 1 . . . . . 854 ASP CB . 50213 2 190 . 1 . 1 54 54 ASP N N 15 117.607 0.000 . 1 . . . . . 854 ASP N . 50213 2 191 . 1 . 1 55 55 SER H H 1 8.090 0.000 . 1 . . . . . 855 SER H . 50213 2 192 . 1 . 1 55 55 SER C C 13 173.784 0.000 . 1 . . . . . 855 SER C . 50213 2 193 . 1 . 1 55 55 SER CA C 13 58.584 0.000 . 1 . . . . . 855 SER CA . 50213 2 194 . 1 . 1 55 55 SER CB C 13 63.632 0.000 . 1 . . . . . 855 SER CB . 50213 2 195 . 1 . 1 55 55 SER N N 15 113.497 0.000 . 1 . . . . . 855 SER N . 50213 2 196 . 1 . 1 56 56 ASN H H 1 7.844 0.000 . 1 . . . . . 856 ASN H . 50213 2 197 . 1 . 1 56 56 ASN C C 13 175.012 0.000 . 1 . . . . . 856 ASN C . 50213 2 198 . 1 . 1 56 56 ASN CA C 13 52.141 0.000 . 1 . . . . . 856 ASN CA . 50213 2 199 . 1 . 1 56 56 ASN CB C 13 39.790 0.000 . 1 . . . . . 856 ASN CB . 50213 2 200 . 1 . 1 56 56 ASN N N 15 118.544 0.000 . 1 . . . . . 856 ASN N . 50213 2 201 . 1 . 1 57 57 LEU H H 1 8.168 0.000 . 1 . . . . . 857 LEU H . 50213 2 202 . 1 . 1 57 57 LEU C C 13 177.758 0.000 . 1 . . . . . 857 LEU C . 50213 2 203 . 1 . 1 57 57 LEU CA C 13 53.499 0.000 . 1 . . . . . 857 LEU CA . 50213 2 204 . 1 . 1 57 57 LEU CB C 13 42.579 0.000 . 1 . . . . . 857 LEU CB . 50213 2 205 . 1 . 1 57 57 LEU N N 15 120.352 0.000 . 1 . . . . . 857 LEU N . 50213 2 206 . 1 . 1 58 58 SER H H 1 9.606 0.000 . 1 . . . . . 858 SER H . 50213 2 207 . 1 . 1 58 58 SER C C 13 175.522 0.000 . 1 . . . . . 858 SER C . 50213 2 208 . 1 . 1 58 58 SER CA C 13 56.576 0.000 . 1 . . . . . 858 SER CA . 50213 2 209 . 1 . 1 58 58 SER CB C 13 65.095 0.000 . 1 . . . . . 858 SER CB . 50213 2 210 . 1 . 1 58 58 SER N N 15 121.966 0.000 . 1 . . . . . 858 SER N . 50213 2 211 . 1 . 1 60 60 GLN H H 1 8.152 0.000 . 1 . . . . . 860 GLN H . 50213 2 212 . 1 . 1 60 60 GLN C C 13 179.216 0.000 . 1 . . . . . 860 GLN C . 50213 2 213 . 1 . 1 60 60 GLN CA C 13 59.099 0.000 . 1 . . . . . 860 GLN CA . 50213 2 214 . 1 . 1 60 60 GLN CB C 13 27.548 0.000 . 1 . . . . . 860 GLN CB . 50213 2 215 . 1 . 1 60 60 GLN N N 15 120.475 0.000 . 1 . . . . . 860 GLN N . 50213 2 216 . 1 . 1 61 61 GLU H H 1 7.876 0.000 . 1 . . . . . 861 GLU H . 50213 2 217 . 1 . 1 61 61 GLU C C 13 178.805 0.000 . 1 . . . . . 861 GLU C . 50213 2 218 . 1 . 1 61 61 GLU CA C 13 59.516 0.000 . 1 . . . . . 861 GLU CA . 50213 2 219 . 1 . 1 61 61 GLU CB C 13 29.926 0.000 . 1 . . . . . 861 GLU CB . 50213 2 220 . 1 . 1 61 61 GLU N N 15 121.561 0.000 . 1 . . . . . 861 GLU N . 50213 2 221 . 1 . 1 62 62 GLU H H 1 8.496 0.000 . 1 . . . . . 862 GLU H . 50213 2 222 . 1 . 1 62 62 GLU C C 13 178.617 0.000 . 1 . . . . . 862 GLU C . 50213 2 223 . 1 . 1 62 62 GLU CA C 13 60.588 0.000 . 1 . . . . . 862 GLU CA . 50213 2 224 . 1 . 1 62 62 GLU CB C 13 28.988 0.000 . 1 . . . . . 862 GLU CB . 50213 2 225 . 1 . 1 62 62 GLU N N 15 118.722 0.000 . 1 . . . . . 862 GLU N . 50213 2 226 . 1 . 1 63 63 GLN H H 1 8.083 0.000 . 1 . . . . . 863 GLN H . 50213 2 227 . 1 . 1 63 63 GLN C C 13 177.517 0.000 . 1 . . . . . 863 GLN C . 50213 2 228 . 1 . 1 63 63 GLN CA C 13 58.456 0.000 . 1 . . . . . 863 GLN CA . 50213 2 229 . 1 . 1 63 63 GLN CB C 13 28.103 0.000 . 1 . . . . . 863 GLN CB . 50213 2 230 . 1 . 1 63 63 GLN N N 15 118.280 0.000 . 1 . . . . . 863 GLN N . 50213 2 231 . 1 . 1 64 64 CYS H H 1 8.141 0.000 . 1 . . . . . 864 CYS H . 50213 2 232 . 1 . 1 64 64 CYS C C 13 176.436 0.000 . 1 . . . . . 864 CYS C . 50213 2 233 . 1 . 1 64 64 CYS CA C 13 60.081 0.000 . 1 . . . . . 864 CYS CA . 50213 2 234 . 1 . 1 64 64 CYS CB C 13 34.421 0.000 . 1 . . . . . 864 CYS CB . 50213 2 235 . 1 . 1 64 64 CYS N N 15 118.669 0.000 . 1 . . . . . 864 CYS N . 50213 2 236 . 1 . 1 65 65 LEU H H 1 8.541 0.000 . 1 . . . . . 865 LEU H . 50213 2 237 . 1 . 1 65 65 LEU C C 13 178.102 0.000 . 1 . . . . . 865 LEU C . 50213 2 238 . 1 . 1 65 65 LEU CA C 13 58.526 0.000 . 1 . . . . . 865 LEU CA . 50213 2 239 . 1 . 1 65 65 LEU CB C 13 42.109 0.000 . 1 . . . . . 865 LEU CB . 50213 2 240 . 1 . 1 65 65 LEU N N 15 120.885 0.000 . 1 . . . . . 865 LEU N . 50213 2 241 . 1 . 1 66 66 SER H H 1 7.861 0.000 . 1 . . . . . 866 SER H . 50213 2 242 . 1 . 1 66 66 SER C C 13 177.151 0.000 . 1 . . . . . 866 SER C . 50213 2 243 . 1 . 1 66 66 SER CA C 13 61.258 0.000 . 1 . . . . . 866 SER CA . 50213 2 244 . 1 . 1 66 66 SER CB C 13 62.345 0.000 . 1 . . . . . 866 SER CB . 50213 2 245 . 1 . 1 66 66 SER N N 15 112.779 0.000 . 1 . . . . . 866 SER N . 50213 2 246 . 1 . 1 67 67 ASN H H 1 8.631 0.000 . 1 . . . . . 867 ASN H . 50213 2 247 . 1 . 1 67 67 ASN C C 13 176.799 0.000 . 1 . . . . . 867 ASN C . 50213 2 248 . 1 . 1 67 67 ASN CA C 13 55.570 0.000 . 1 . . . . . 867 ASN CA . 50213 2 249 . 1 . 1 67 67 ASN N N 15 121.141 0.000 . 1 . . . . . 867 ASN N . 50213 2 250 . 1 . 1 68 68 CYS H H 1 9.334 0.000 . 1 . . . . . 868 CYS H . 50213 2 251 . 1 . 1 68 68 CYS C C 13 175.257 0.000 . 1 . . . . . 868 CYS C . 50213 2 252 . 1 . 1 68 68 CYS CA C 13 60.588 0.000 . 1 . . . . . 868 CYS CA . 50213 2 253 . 1 . 1 68 68 CYS CB C 13 42.566 0.000 . 1 . . . . . 868 CYS CB . 50213 2 254 . 1 . 1 68 68 CYS N N 15 121.613 0.000 . 1 . . . . . 868 CYS N . 50213 2 255 . 1 . 1 69 69 VAL H H 1 7.772 0.000 . 1 . . . . . 869 VAL H . 50213 2 256 . 1 . 1 69 69 VAL C C 13 176.552 0.000 . 1 . . . . . 869 VAL C . 50213 2 257 . 1 . 1 69 69 VAL CA C 13 65.013 0.000 . 1 . . . . . 869 VAL CA . 50213 2 258 . 1 . 1 69 69 VAL CB C 13 30.222 0.000 . 1 . . . . . 869 VAL CB . 50213 2 259 . 1 . 1 69 69 VAL N N 15 118.390 0.000 . 1 . . . . . 869 VAL N . 50213 2 260 . 1 . 1 70 70 ASN H H 1 7.520 0.000 . 1 . . . . . 870 ASN H . 50213 2 261 . 1 . 1 70 70 ASN C C 13 177.595 0.000 . 1 . . . . . 870 ASN C . 50213 2 262 . 1 . 1 70 70 ASN CA C 13 57.646 0.000 . 1 . . . . . 870 ASN CA . 50213 2 263 . 1 . 1 70 70 ASN CB C 13 38.494 0.000 . 1 . . . . . 870 ASN CB . 50213 2 264 . 1 . 1 70 70 ASN N N 15 119.899 0.000 . 1 . . . . . 870 ASN N . 50213 2 265 . 1 . 1 71 71 ARG H H 1 9.152 0.000 . 1 . . . . . 871 ARG H . 50213 2 266 . 1 . 1 71 71 ARG C C 13 180.289 0.000 . 1 . . . . . 871 ARG C . 50213 2 267 . 1 . 1 71 71 ARG CA C 13 57.575 0.000 . 1 . . . . . 871 ARG CA . 50213 2 268 . 1 . 1 71 71 ARG CB C 13 30.832 0.000 . 1 . . . . . 871 ARG CB . 50213 2 269 . 1 . 1 71 71 ARG N N 15 117.328 0.000 . 1 . . . . . 871 ARG N . 50213 2 270 . 1 . 1 72 72 PHE H H 1 8.944 0.000 . 1 . . . . . 872 PHE H . 50213 2 271 . 1 . 1 72 72 PHE C C 13 178.427 0.000 . 1 . . . . . 872 PHE C . 50213 2 272 . 1 . 1 72 72 PHE CA C 13 62.162 0.000 . 1 . . . . . 872 PHE CA . 50213 2 273 . 1 . 1 72 72 PHE CB C 13 37.417 0.000 . 1 . . . . . 872 PHE CB . 50213 2 274 . 1 . 1 72 72 PHE N N 15 126.643 0.000 . 1 . . . . . 872 PHE N . 50213 2 275 . 1 . 1 73 73 LEU H H 1 8.209 0.000 . 1 . . . . . 873 LEU H . 50213 2 276 . 1 . 1 73 73 LEU C C 13 179.103 0.000 . 1 . . . . . 873 LEU C . 50213 2 277 . 1 . 1 73 73 LEU CA C 13 58.240 0.000 . 1 . . . . . 873 LEU CA . 50213 2 278 . 1 . 1 73 73 LEU CB C 13 40.022 0.000 . 1 . . . . . 873 LEU CB . 50213 2 279 . 1 . 1 73 73 LEU N N 15 121.311 0.000 . 1 . . . . . 873 LEU N . 50213 2 280 . 1 . 1 74 74 ASP H H 1 8.348 0.000 . 1 . . . . . 874 ASP H . 50213 2 281 . 1 . 1 74 74 ASP C C 13 179.247 0.000 . 1 . . . . . 874 ASP C . 50213 2 282 . 1 . 1 74 74 ASP CA C 13 57.398 0.000 . 1 . . . . . 874 ASP CA . 50213 2 283 . 1 . 1 74 74 ASP CB C 13 40.501 0.000 . 1 . . . . . 874 ASP CB . 50213 2 284 . 1 . 1 74 74 ASP N N 15 118.511 0.000 . 1 . . . . . 874 ASP N . 50213 2 285 . 1 . 1 75 75 THR H H 1 7.938 0.000 . 1 . . . . . 875 THR H . 50213 2 286 . 1 . 1 75 75 THR CA C 13 67.657 0.000 . 1 . . . . . 875 THR CA . 50213 2 287 . 1 . 1 75 75 THR N N 15 118.797 0.000 . 1 . . . . . 875 THR N . 50213 2 288 . 1 . 1 76 76 ASN H H 1 8.020 0.000 . 1 . . . . . 876 ASN H . 50213 2 289 . 1 . 1 76 76 ASN C C 13 176.848 0.000 . 1 . . . . . 876 ASN C . 50213 2 290 . 1 . 1 76 76 ASN CA C 13 56.774 0.000 . 1 . . . . . 876 ASN CA . 50213 2 291 . 1 . 1 76 76 ASN CB C 13 39.199 0.000 . 1 . . . . . 876 ASN CB . 50213 2 292 . 1 . 1 76 76 ASN N N 15 120.449 0.000 . 1 . . . . . 876 ASN N . 50213 2 293 . 1 . 1 77 77 ILE H H 1 8.020 0.000 . 1 . . . . . 877 ILE H . 50213 2 294 . 1 . 1 77 77 ILE C C 13 177.698 0.000 . 1 . . . . . 877 ILE C . 50213 2 295 . 1 . 1 77 77 ILE CA C 13 64.598 0.000 . 1 . . . . . 877 ILE CA . 50213 2 296 . 1 . 1 77 77 ILE CB C 13 37.461 0.000 . 1 . . . . . 877 ILE CB . 50213 2 297 . 1 . 1 77 77 ILE N N 15 118.030 0.000 . 1 . . . . . 877 ILE N . 50213 2 298 . 1 . 1 78 78 ARG H H 1 7.587 0.000 . 1 . . . . . 878 ARG H . 50213 2 299 . 1 . 1 78 78 ARG C C 13 179.803 0.000 . 1 . . . . . 878 ARG C . 50213 2 300 . 1 . 1 78 78 ARG CA C 13 58.582 0.000 . 1 . . . . . 878 ARG CA . 50213 2 301 . 1 . 1 78 78 ARG CB C 13 29.250 0.000 . 1 . . . . . 878 ARG CB . 50213 2 302 . 1 . 1 78 78 ARG N N 15 119.768 0.000 . 1 . . . . . 878 ARG N . 50213 2 303 . 1 . 1 79 79 ILE H H 1 8.155 0.000 . 1 . . . . . 879 ILE H . 50213 2 304 . 1 . 1 79 79 ILE C C 13 177.269 0.000 . 1 . . . . . 879 ILE C . 50213 2 305 . 1 . 1 79 79 ILE CA C 13 63.275 0.000 . 1 . . . . . 879 ILE CA . 50213 2 306 . 1 . 1 79 79 ILE CB C 13 35.316 0.000 . 1 . . . . . 879 ILE CB . 50213 2 307 . 1 . 1 79 79 ILE N N 15 120.884 0.000 . 1 . . . . . 879 ILE N . 50213 2 308 . 1 . 1 80 80 VAL H H 1 8.271 0.000 . 1 . . . . . 880 VAL H . 50213 2 309 . 1 . 1 80 80 VAL C C 13 178.661 0.000 . 1 . . . . . 880 VAL C . 50213 2 310 . 1 . 1 80 80 VAL CA C 13 66.917 0.000 . 1 . . . . . 880 VAL CA . 50213 2 311 . 1 . 1 80 80 VAL CB C 13 30.504 0.000 . 1 . . . . . 880 VAL CB . 50213 2 312 . 1 . 1 80 80 VAL N N 15 119.928 0.000 . 1 . . . . . 880 VAL N . 50213 2 313 . 1 . 1 81 81 ASN H H 1 8.009 0.000 . 1 . . . . . 881 ASN H . 50213 2 314 . 1 . 1 81 81 ASN C C 13 177.980 0.000 . 1 . . . . . 881 ASN C . 50213 2 315 . 1 . 1 81 81 ASN CA C 13 55.763 0.000 . 1 . . . . . 881 ASN CA . 50213 2 316 . 1 . 1 81 81 ASN CB C 13 37.941 0.000 . 1 . . . . . 881 ASN CB . 50213 2 317 . 1 . 1 81 81 ASN N N 15 117.039 0.000 . 1 . . . . . 881 ASN N . 50213 2 318 . 1 . 1 82 82 GLY H H 1 8.068 0.000 . 1 . . . . . 882 GLY H . 50213 2 319 . 1 . 1 82 82 GLY C C 13 175.893 0.000 . 1 . . . . . 882 GLY C . 50213 2 320 . 1 . 1 82 82 GLY CA C 13 46.290 0.000 . 1 . . . . . 882 GLY CA . 50213 2 321 . 1 . 1 82 82 GLY N N 15 108.355 0.000 . 1 . . . . . 882 GLY N . 50213 2 322 . 1 . 1 83 83 LEU H H 1 8.009 0.000 . 1 . . . . . 883 LEU H . 50213 2 323 . 1 . 1 83 83 LEU C C 13 178.143 0.000 . 1 . . . . . 883 LEU C . 50213 2 324 . 1 . 1 83 83 LEU CA C 13 56.236 0.000 . 1 . . . . . 883 LEU CA . 50213 2 325 . 1 . 1 83 83 LEU CB C 13 41.615 0.000 . 1 . . . . . 883 LEU CB . 50213 2 326 . 1 . 1 83 83 LEU N N 15 121.568 0.000 . 1 . . . . . 883 LEU N . 50213 2 327 . 1 . 1 84 84 GLN H H 1 7.625 0.000 . 1 . . . . . 884 GLN H . 50213 2 328 . 1 . 1 84 84 GLN C C 13 176.249 0.000 . 1 . . . . . 884 GLN C . 50213 2 329 . 1 . 1 84 84 GLN CA C 13 56.547 0.000 . 1 . . . . . 884 GLN CA . 50213 2 330 . 1 . 1 84 84 GLN CB C 13 28.512 0.000 . 1 . . . . . 884 GLN CB . 50213 2 331 . 1 . 1 84 84 GLN N N 15 116.652 0.000 . 1 . . . . . 884 GLN N . 50213 2 332 . 1 . 1 85 85 ASN H H 1 7.741 0.000 . 1 . . . . . 885 ASN H . 50213 2 333 . 1 . 1 85 85 ASN C C 13 175.075 0.000 . 1 . . . . . 885 ASN C . 50213 2 334 . 1 . 1 85 85 ASN CA C 13 53.186 0.000 . 1 . . . . . 885 ASN CA . 50213 2 335 . 1 . 1 85 85 ASN CB C 13 38.717 0.000 . 1 . . . . . 885 ASN CB . 50213 2 336 . 1 . 1 85 85 ASN N N 15 117.411 0.000 . 1 . . . . . 885 ASN N . 50213 2 337 . 1 . 1 86 86 THR H H 1 7.693 0.000 . 1 . . . . . 886 THR H . 50213 2 338 . 1 . 1 86 86 THR C C 13 173.455 0.000 . 1 . . . . . 886 THR C . 50213 2 339 . 1 . 1 86 86 THR CA C 13 61.921 0.000 . 1 . . . . . 886 THR CA . 50213 2 340 . 1 . 1 86 86 THR CB C 13 69.314 0.000 . 1 . . . . . 886 THR CB . 50213 2 341 . 1 . 1 86 86 THR N N 15 114.470 0.000 . 1 . . . . . 886 THR N . 50213 2 342 . 1 . 1 87 87 ARG H H 1 7.660 0.000 . 1 . . . . . 887 ARG H . 50213 2 343 . 1 . 1 87 87 ARG C C 13 180.598 0.000 . 1 . . . . . 887 ARG C . 50213 2 344 . 1 . 1 87 87 ARG N N 15 128.363 0.000 . 1 . . . . . 887 ARG N . 50213 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 50213 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name Tim13_35C _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 BEST-TROSY HSQC' . . . 50213 3 2 '3D BEST-TROSY HNCO' . . . 50213 3 3 '3D BEST-TROSY HNCA' . . . 50213 3 4 '3D BEST-TROSY HN(CO)CA' . . . 50213 3 5 '3D BEST-TROSY HN(COCA)CB' . . . 50213 3 6 '3D BEST-TROSY HN(CA)CO' . . . 50213 3 7 '3D BEST-TROSY HN(CA)CB' . . . 50213 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50213 3 2 $software_2 . . 50213 3 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 . 2 . 2 3 3 LEU H H 1 8.310 0.000 . 1 . . . . . 3 LEU H . 50213 3 2 . 2 . 2 3 3 LEU C C 13 177.681 0.000 . 1 . . . . . 3 LEU C . 50213 3 3 . 2 . 2 3 3 LEU CA C 13 55.142 0.000 . 1 . . . . . 3 LEU CA . 50213 3 4 . 2 . 2 3 3 LEU CB C 13 41.321 0.000 . 1 . . . . . 3 LEU CB . 50213 3 5 . 2 . 2 3 3 LEU N N 15 122.661 0.000 . 1 . . . . . 3 LEU N . 50213 3 6 . 2 . 2 4 4 SER H H 1 8.250 0.000 . 1 . . . . . 4 SER H . 50213 3 7 . 2 . 2 4 4 SER C C 13 174.806 0.000 . 1 . . . . . 4 SER C . 50213 3 8 . 2 . 2 4 4 SER CA C 13 58.363 0.000 . 1 . . . . . 4 SER CA . 50213 3 9 . 2 . 2 4 4 SER CB C 13 62.951 0.000 . 1 . . . . . 4 SER CB . 50213 3 10 . 2 . 2 4 4 SER N N 15 116.429 0.000 . 1 . . . . . 4 SER N . 50213 3 11 . 2 . 2 5 5 SER H H 1 8.103 0.000 . 1 . . . . . 5 SER H . 50213 3 12 . 2 . 2 5 5 SER C C 13 174.655 0.000 . 1 . . . . . 5 SER C . 50213 3 13 . 2 . 2 5 5 SER CA C 13 58.199 0.000 . 1 . . . . . 5 SER CA . 50213 3 14 . 2 . 2 5 5 SER N N 15 117.899 0.000 . 1 . . . . . 5 SER N . 50213 3 15 . 2 . 2 6 6 ILE H H 1 7.788 0.000 . 1 . . . . . 6 ILE H . 50213 3 16 . 2 . 2 6 6 ILE C C 13 175.991 0.000 . 1 . . . . . 6 ILE C . 50213 3 17 . 2 . 2 6 6 ILE CA C 13 61.327 0.000 . 1 . . . . . 6 ILE CA . 50213 3 18 . 2 . 2 6 6 ILE CB C 13 37.489 0.000 . 1 . . . . . 6 ILE CB . 50213 3 19 . 2 . 2 6 6 ILE N N 15 121.622 0.000 . 1 . . . . . 6 ILE N . 50213 3 20 . 2 . 2 7 7 PHE H H 1 8.006 0.000 . 1 . . . . . 7 PHE H . 50213 3 21 . 2 . 2 7 7 PHE C C 13 176.237 0.000 . 1 . . . . . 7 PHE C . 50213 3 22 . 2 . 2 7 7 PHE CA C 13 57.368 0.000 . 1 . . . . . 7 PHE CA . 50213 3 23 . 2 . 2 7 7 PHE N N 15 122.507 0.000 . 1 . . . . . 7 PHE N . 50213 3 24 . 2 . 2 8 8 GLY H H 1 8.079 0.000 . 1 . . . . . 8 GLY H . 50213 3 25 . 2 . 2 8 8 GLY C C 13 174.540 0.000 . 1 . . . . . 8 GLY C . 50213 3 26 . 2 . 2 8 8 GLY CA C 13 44.933 0.000 . 1 . . . . . 8 GLY CA . 50213 3 27 . 2 . 2 8 8 GLY N N 15 110.923 0.000 . 1 . . . . . 8 GLY N . 50213 3 28 . 2 . 2 9 9 GLY H H 1 7.927 0.000 . 1 . . . . . 9 GLY H . 50213 3 29 . 2 . 2 9 9 GLY C C 13 174.488 0.000 . 1 . . . . . 9 GLY C . 50213 3 30 . 2 . 2 9 9 GLY N N 15 108.891 0.000 . 1 . . . . . 9 GLY N . 50213 3 31 . 2 . 2 10 10 GLY H H 1 8.121 0.000 . 1 . . . . . 10 GLY H . 50213 3 32 . 2 . 2 10 10 GLY C C 13 173.353 0.000 . 1 . . . . . 10 GLY C . 50213 3 33 . 2 . 2 10 10 GLY CA C 13 44.430 0.000 . 1 . . . . . 10 GLY CA . 50213 3 34 . 2 . 2 10 10 GLY N N 15 109.059 0.000 . 1 . . . . . 10 GLY N . 50213 3 35 . 2 . 2 11 11 ALA H H 1 8.040 0.000 . 1 . . . . . 11 ALA H . 50213 3 36 . 2 . 2 11 11 ALA C C 13 175.794 0.000 . 1 . . . . . 11 ALA C . 50213 3 37 . 2 . 2 11 11 ALA CA C 13 50.155 0.000 . 1 . . . . . 11 ALA CA . 50213 3 38 . 2 . 2 11 11 ALA CB C 13 17.360 0.000 . 1 . . . . . 11 ALA CB . 50213 3 39 . 2 . 2 11 11 ALA N N 15 125.120 0.000 . 1 . . . . . 11 ALA N . 50213 3 40 . 2 . 2 13 13 SER H H 1 8.218 0.000 . 1 . . . . . 13 SER H . 50213 3 41 . 2 . 2 13 13 SER CA C 13 58.048 0.000 . 1 . . . . . 13 SER CA . 50213 3 42 . 2 . 2 13 13 SER CB C 13 63.337 0.000 . 1 . . . . . 13 SER CB . 50213 3 43 . 2 . 2 13 13 SER N N 15 121.853 0.000 . 1 . . . . . 13 SER N . 50213 3 44 . 2 . 2 14 14 GLN H H 1 8.247 0.000 . 1 . . . . . 14 GLN H . 50213 3 45 . 2 . 2 14 14 GLN CA C 13 55.516 0.000 . 1 . . . . . 14 GLN CA . 50213 3 46 . 2 . 2 14 14 GLN CB C 13 62.988 0.000 . 1 . . . . . 14 GLN CB . 50213 3 47 . 2 . 2 14 14 GLN N N 15 122.324 0.000 . 1 . . . . . 14 GLN N . 50213 3 48 . 2 . 2 15 15 GLN H H 1 8.292 0.000 . 1 . . . . . 15 GLN H . 50213 3 49 . 2 . 2 15 15 GLN C C 13 175.858 0.000 . 1 . . . . . 15 GLN C . 50213 3 50 . 2 . 2 15 15 GLN N N 15 119.518 0.000 . 1 . . . . . 15 GLN N . 50213 3 51 . 2 . 2 16 16 LYS H H 1 8.221 0.000 . 1 . . . . . 16 LYS H . 50213 3 52 . 2 . 2 16 16 LYS C C 13 176.580 0.000 . 1 . . . . . 16 LYS C . 50213 3 53 . 2 . 2 16 16 LYS CA C 13 56.125 0.000 . 1 . . . . . 16 LYS CA . 50213 3 54 . 2 . 2 16 16 LYS CB C 13 31.986 0.000 . 1 . . . . . 16 LYS CB . 50213 3 55 . 2 . 2 16 16 LYS N N 15 123.260 0.000 . 1 . . . . . 16 LYS N . 50213 3 56 . 2 . 2 17 17 GLU H H 1 8.317 0.000 . 1 . . . . . 17 GLU H . 50213 3 57 . 2 . 2 17 17 GLU C C 13 176.207 0.000 . 1 . . . . . 17 GLU C . 50213 3 58 . 2 . 2 17 17 GLU CA C 13 56.117 0.000 . 1 . . . . . 17 GLU CA . 50213 3 59 . 2 . 2 17 17 GLU CB C 13 29.280 0.000 . 1 . . . . . 17 GLU CB . 50213 3 60 . 2 . 2 17 17 GLU N N 15 122.401 0.000 . 1 . . . . . 17 GLU N . 50213 3 61 . 2 . 2 18 18 ALA H H 1 8.190 0.000 . 1 . . . . . 18 ALA H . 50213 3 62 . 2 . 2 18 18 ALA C C 13 177.507 0.000 . 1 . . . . . 18 ALA C . 50213 3 63 . 2 . 2 18 18 ALA CA C 13 52.057 0.000 . 1 . . . . . 18 ALA CA . 50213 3 64 . 2 . 2 18 18 ALA CB C 13 18.325 0.000 . 1 . . . . . 18 ALA CB . 50213 3 65 . 2 . 2 18 18 ALA N N 15 125.583 0.000 . 1 . . . . . 18 ALA N . 50213 3 66 . 2 . 2 19 19 ALA H H 1 8.155 0.000 . 1 . . . . . 19 ALA H . 50213 3 67 . 2 . 2 19 19 ALA C C 13 178.065 0.000 . 1 . . . . . 19 ALA C . 50213 3 68 . 2 . 2 19 19 ALA CA C 13 52.164 0.000 . 1 . . . . . 19 ALA CA . 50213 3 69 . 2 . 2 19 19 ALA N N 15 123.437 0.000 . 1 . . . . . 19 ALA N . 50213 3 70 . 2 . 2 20 20 THR H H 1 7.986 0.000 . 1 . . . . . 20 THR H . 50213 3 71 . 2 . 2 20 20 THR C C 13 174.771 0.000 . 1 . . . . . 20 THR C . 50213 3 72 . 2 . 2 20 20 THR CA C 13 61.426 0.000 . 1 . . . . . 20 THR CA . 50213 3 73 . 2 . 2 20 20 THR CB C 13 69.130 0.000 . 1 . . . . . 20 THR CB . 50213 3 74 . 2 . 2 20 20 THR N N 15 113.351 0.000 . 1 . . . . . 20 THR N . 50213 3 75 . 2 . 2 21 21 THR H H 1 7.943 0.000 . 1 . . . . . 21 THR H . 50213 3 76 . 2 . 2 21 21 THR C C 13 174.275 0.000 . 1 . . . . . 21 THR C . 50213 3 77 . 2 . 2 21 21 THR N N 15 116.414 0.000 . 1 . . . . . 21 THR N . 50213 3 78 . 2 . 2 22 22 ALA H H 1 8.136 0.000 . 1 . . . . . 22 ALA H . 50213 3 79 . 2 . 2 22 22 ALA C C 13 177.488 0.000 . 1 . . . . . 22 ALA C . 50213 3 80 . 2 . 2 22 22 ALA CA C 13 52.118 0.000 . 1 . . . . . 22 ALA CA . 50213 3 81 . 2 . 2 22 22 ALA CB C 13 18.339 0.000 . 1 . . . . . 22 ALA CB . 50213 3 82 . 2 . 2 22 22 ALA N N 15 126.833 0.000 . 1 . . . . . 22 ALA N . 50213 3 83 . 2 . 2 23 23 LYS H H 1 8.173 0.000 . 1 . . . . . 23 LYS H . 50213 3 84 . 2 . 2 23 23 LYS C C 13 176.704 0.000 . 1 . . . . . 23 LYS C . 50213 3 85 . 2 . 2 23 23 LYS CA C 13 55.809 0.000 . 1 . . . . . 23 LYS CA . 50213 3 86 . 2 . 2 23 23 LYS CB C 13 31.966 0.000 . 1 . . . . . 23 LYS CB . 50213 3 87 . 2 . 2 23 23 LYS N N 15 121.110 0.000 . 1 . . . . . 23 LYS N . 50213 3 88 . 2 . 2 24 24 THR H H 1 7.991 0.000 . 1 . . . . . 24 THR H . 50213 3 89 . 2 . 2 24 24 THR C C 13 174.275 0.000 . 1 . . . . . 24 THR C . 50213 3 90 . 2 . 2 24 24 THR CA C 13 61.062 0.000 . 1 . . . . . 24 THR CA . 50213 3 91 . 2 . 2 24 24 THR CB C 13 69.321 0.000 . 1 . . . . . 24 THR CB . 50213 3 92 . 2 . 2 24 24 THR N N 15 115.434 0.000 . 1 . . . . . 24 THR N . 50213 3 93 . 2 . 2 25 25 THR H H 1 8.126 0.000 . 1 . . . . . 25 THR H . 50213 3 94 . 2 . 2 25 25 THR C C 13 172.702 0.000 . 1 . . . . . 25 THR C . 50213 3 95 . 2 . 2 25 25 THR CA C 13 59.277 0.000 . 1 . . . . . 25 THR CA . 50213 3 96 . 2 . 2 25 25 THR N N 15 119.500 0.000 . 1 . . . . . 25 THR N . 50213 3 97 . 2 . 2 30 30 ALA H H 1 8.125 0.000 . 1 . . . . . 30 ALA H . 50213 3 98 . 2 . 2 30 30 ALA N N 15 126.878 0.000 . 1 . . . . . 30 ALA N . 50213 3 99 . 2 . 2 35 35 ASN H H 1 7.809 0.000 . 1 . . . . . 35 ASN H . 50213 3 100 . 2 . 2 35 35 ASN C C 13 177.692 0.000 . 1 . . . . . 35 ASN C . 50213 3 101 . 2 . 2 35 35 ASN CA C 13 55.539 0.000 . 1 . . . . . 35 ASN CA . 50213 3 102 . 2 . 2 35 35 ASN CB C 13 40.742 0.000 . 1 . . . . . 35 ASN CB . 50213 3 103 . 2 . 2 35 35 ASN N N 15 121.011 0.000 . 1 . . . . . 35 ASN N . 50213 3 104 . 2 . 2 38 38 ALA H H 1 8.027 0.021 . 1 . . . . . 38 ALA H . 50213 3 105 . 2 . 2 38 38 ALA N N 15 124.835 0.040 . 1 . . . . . 38 ALA N . 50213 3 106 . 2 . 2 39 39 GLN H H 1 8.058 0.000 . 1 . . . . . 39 GLN H . 50213 3 107 . 2 . 2 39 39 GLN CA C 13 57.856 0.000 . 1 . . . . . 39 GLN CA . 50213 3 108 . 2 . 2 39 39 GLN N N 15 118.849 0.000 . 1 . . . . . 39 GLN N . 50213 3 109 . 2 . 2 40 40 GLU H H 1 8.234 0.000 . 1 . . . . . 40 GLU H . 50213 3 110 . 2 . 2 40 40 GLU CB C 13 28.560 0.000 . 1 . . . . . 40 GLU CB . 50213 3 111 . 2 . 2 40 40 GLU N N 15 120.629 0.000 . 1 . . . . . 40 GLU N . 50213 3 112 . 2 . 2 41 41 LEU H H 1 7.956 0.000 . 1 . . . . . 41 LEU H . 50213 3 113 . 2 . 2 41 41 LEU N N 15 121.386 0.000 . 1 . . . . . 41 LEU N . 50213 3 114 . 2 . 2 42 42 ALA H H 1 7.922 0.000 . 1 . . . . . 42 ALA H . 50213 3 115 . 2 . 2 42 42 ALA C C 13 178.146 0.000 . 1 . . . . . 42 ALA C . 50213 3 116 . 2 . 2 42 42 ALA CA C 13 52.880 0.000 . 1 . . . . . 42 ALA CA . 50213 3 117 . 2 . 2 42 42 ALA CB C 13 18.056 0.000 . 1 . . . . . 42 ALA CB . 50213 3 118 . 2 . 2 42 42 ALA N N 15 123.364 0.000 . 1 . . . . . 42 ALA N . 50213 3 119 . 2 . 2 44 44 ALA H H 1 7.984 0.000 . 1 . . . . . 44 ALA H . 50213 3 120 . 2 . 2 44 44 ALA N N 15 125.275 0.000 . 1 . . . . . 44 ALA N . 50213 3 121 . 2 . 2 45 45 ASN H H 1 8.108 0.000 . 1 . . . . . 45 ASN H . 50213 3 122 . 2 . 2 45 45 ASN N N 15 117.242 0.000 . 1 . . . . . 45 ASN N . 50213 3 123 . 2 . 2 46 46 ALA C C 13 177.919 0.000 . 1 . . . . . 46 ALA C . 50213 3 124 . 2 . 2 46 46 ALA CA C 13 52.198 0.000 . 1 . . . . . 46 ALA CA . 50213 3 125 . 2 . 2 46 46 ALA CB C 13 18.261 0.000 . 1 . . . . . 46 ALA CB . 50213 3 126 . 2 . 2 47 47 THR H H 1 7.987 0.000 . 1 . . . . . 47 THR H . 50213 3 127 . 2 . 2 47 47 THR C C 13 174.810 0.000 . 1 . . . . . 47 THR C . 50213 3 128 . 2 . 2 47 47 THR CA C 13 61.459 0.000 . 1 . . . . . 47 THR CA . 50213 3 129 . 2 . 2 47 47 THR CB C 13 69.158 0.000 . 1 . . . . . 47 THR CB . 50213 3 130 . 2 . 2 47 47 THR N N 15 114.019 0.000 . 1 . . . . . 47 THR N . 50213 3 131 . 2 . 2 49 49 LEU H H 1 7.873 0.000 . 1 . . . . . 49 LEU H . 50213 3 132 . 2 . 2 49 49 LEU N N 15 116.250 0.000 . 1 . . . . . 49 LEU N . 50213 3 133 . 2 . 2 50 50 VAL H H 1 8.934 0.000 . 1 . . . . . 50 VAL H . 50213 3 134 . 2 . 2 50 50 VAL N N 15 117.484 0.000 . 1 . . . . . 50 VAL N . 50213 3 135 . 2 . 2 51 51 ASN H H 1 8.832 0.000 . 1 . . . . . 51 ASN H . 50213 3 136 . 2 . 2 51 51 ASN N N 15 124.627 0.000 . 1 . . . . . 51 ASN N . 50213 3 137 . 2 . 2 52 52 LYS H H 1 7.448 0.000 . 1 . . . . . 52 LYS H . 50213 3 138 . 2 . 2 52 52 LYS N N 15 115.887 0.000 . 1 . . . . . 52 LYS N . 50213 3 139 . 2 . 2 53 53 ILE H H 1 7.588 0.000 . 1 . . . . . 53 ILE H . 50213 3 140 . 2 . 2 53 53 ILE CA C 13 56.793 0.000 . 1 . . . . . 53 ILE CA . 50213 3 141 . 2 . 2 53 53 ILE N N 15 114.116 0.000 . 1 . . . . . 53 ILE N . 50213 3 142 . 2 . 2 54 54 SER H H 1 8.412 0.000 . 1 . . . . . 54 SER H . 50213 3 143 . 2 . 2 54 54 SER N N 15 118.989 0.000 . 1 . . . . . 54 SER N . 50213 3 144 . 2 . 2 55 55 GLU H H 1 8.726 0.000 . 1 . . . . . 55 GLU H . 50213 3 145 . 2 . 2 55 55 GLU N N 15 124.973 0.000 . 1 . . . . . 55 GLU N . 50213 3 146 . 2 . 2 60 60 LYS H H 1 7.973 0.000 . 1 . . . . . 60 LYS H . 50213 3 147 . 2 . 2 60 60 LYS CA C 13 64.540 0.000 . 1 . . . . . 60 LYS CA . 50213 3 148 . 2 . 2 60 60 LYS CB C 13 37.498 0.000 . 1 . . . . . 60 LYS CB . 50213 3 149 . 2 . 2 60 60 LYS N N 15 118.416 0.000 . 1 . . . . . 60 LYS N . 50213 3 150 . 2 . 2 61 61 CYS H H 1 7.674 0.000 . 1 . . . . . 61 CYS H . 50213 3 151 . 2 . 2 61 61 CYS N N 15 112.733 0.000 . 1 . . . . . 61 CYS N . 50213 3 152 . 2 . 2 62 62 LEU H H 1 7.749 0.000 . 1 . . . . . 62 LEU H . 50213 3 153 . 2 . 2 62 62 LEU CA C 13 53.443 0.000 . 1 . . . . . 62 LEU CA . 50213 3 154 . 2 . 2 62 62 LEU CB C 13 42.519 0.000 . 1 . . . . . 62 LEU CB . 50213 3 155 . 2 . 2 62 62 LEU N N 15 121.840 0.000 . 1 . . . . . 62 LEU N . 50213 3 156 . 2 . 2 63 63 THR H H 1 7.862 0.000 . 1 . . . . . 63 THR H . 50213 3 157 . 2 . 2 63 63 THR C C 13 172.993 0.000 . 1 . . . . . 63 THR C . 50213 3 158 . 2 . 2 63 63 THR CA C 13 59.032 0.000 . 1 . . . . . 63 THR CA . 50213 3 159 . 2 . 2 63 63 THR CB C 13 70.819 0.000 . 1 . . . . . 63 THR CB . 50213 3 160 . 2 . 2 63 63 THR N N 15 113.573 0.000 . 1 . . . . . 63 THR N . 50213 3 161 . 2 . 2 64 64 SER H H 1 8.128 0.000 . 1 . . . . . 64 SER H . 50213 3 162 . 2 . 2 64 64 SER CA C 13 56.016 0.000 . 1 . . . . . 64 SER CA . 50213 3 163 . 2 . 2 64 64 SER CB C 13 62.084 0.000 . 1 . . . . . 64 SER CB . 50213 3 164 . 2 . 2 64 64 SER N N 15 120.334 0.000 . 1 . . . . . 64 SER N . 50213 3 165 . 2 . 2 66 66 TYR H H 1 8.949 0.000 . 1 . . . . . 66 TYR H . 50213 3 166 . 2 . 2 66 66 TYR C C 13 174.499 0.000 . 1 . . . . . 66 TYR C . 50213 3 167 . 2 . 2 66 66 TYR CA C 13 59.939 0.000 . 1 . . . . . 66 TYR CA . 50213 3 168 . 2 . 2 66 66 TYR CB C 13 32.690 0.000 . 1 . . . . . 66 TYR CB . 50213 3 169 . 2 . 2 66 66 TYR N N 15 118.953 0.000 . 1 . . . . . 66 TYR N . 50213 3 170 . 2 . 2 67 67 ALA H H 1 7.908 0.000 . 1 . . . . . 67 ALA H . 50213 3 171 . 2 . 2 67 67 ALA C C 13 177.774 0.000 . 1 . . . . . 67 ALA C . 50213 3 172 . 2 . 2 67 67 ALA CA C 13 53.130 0.000 . 1 . . . . . 67 ALA CA . 50213 3 173 . 2 . 2 67 67 ALA CB C 13 18.895 0.000 . 1 . . . . . 67 ALA CB . 50213 3 174 . 2 . 2 67 67 ALA N N 15 119.999 0.000 . 1 . . . . . 67 ALA N . 50213 3 175 . 2 . 2 68 68 THR H H 1 7.632 0.000 . 1 . . . . . 68 THR H . 50213 3 176 . 2 . 2 68 68 THR C C 13 173.557 0.000 . 1 . . . . . 68 THR C . 50213 3 177 . 2 . 2 68 68 THR CA C 13 59.784 0.000 . 1 . . . . . 68 THR CA . 50213 3 178 . 2 . 2 68 68 THR CB C 13 70.312 0.000 . 1 . . . . . 68 THR CB . 50213 3 179 . 2 . 2 68 68 THR N N 15 110.593 0.000 . 1 . . . . . 68 THR N . 50213 3 180 . 2 . 2 69 69 ARG H H 1 8.331 0.000 . 1 . . . . . 69 ARG H . 50213 3 181 . 2 . 2 69 69 ARG C C 13 175.738 0.000 . 1 . . . . . 69 ARG C . 50213 3 182 . 2 . 2 69 69 ARG CA C 13 56.106 0.000 . 1 . . . . . 69 ARG CA . 50213 3 183 . 2 . 2 69 69 ARG N N 15 122.711 0.000 . 1 . . . . . 69 ARG N . 50213 3 184 . 2 . 2 70 70 ASN H H 1 8.781 0.000 . 1 . . . . . 70 ASN H . 50213 3 185 . 2 . 2 70 70 ASN C C 13 174.771 0.000 . 1 . . . . . 70 ASN C . 50213 3 186 . 2 . 2 70 70 ASN CA C 13 51.113 0.000 . 1 . . . . . 70 ASN CA . 50213 3 187 . 2 . 2 70 70 ASN N N 15 120.393 0.000 . 1 . . . . . 70 ASN N . 50213 3 188 . 2 . 2 71 71 ASP H H 1 8.251 0.000 . 1 . . . . . 71 ASP H . 50213 3 189 . 2 . 2 71 71 ASP C C 13 177.281 0.000 . 1 . . . . . 71 ASP C . 50213 3 190 . 2 . 2 71 71 ASP CA C 13 57.821 0.000 . 1 . . . . . 71 ASP CA . 50213 3 191 . 2 . 2 71 71 ASP CB C 13 39.421 0.000 . 1 . . . . . 71 ASP CB . 50213 3 192 . 2 . 2 71 71 ASP N N 15 122.997 0.000 . 1 . . . . . 71 ASP N . 50213 3 193 . 2 . 2 72 72 ALA H H 1 8.394 0.000 . 1 . . . . . 72 ALA H . 50213 3 194 . 2 . 2 72 72 ALA C C 13 179.782 0.000 . 1 . . . . . 72 ALA C . 50213 3 195 . 2 . 2 72 72 ALA CA C 13 54.668 0.000 . 1 . . . . . 72 ALA CA . 50213 3 196 . 2 . 2 72 72 ALA CB C 13 16.897 0.000 . 1 . . . . . 72 ALA CB . 50213 3 197 . 2 . 2 72 72 ALA N N 15 120.049 0.000 . 1 . . . . . 72 ALA N . 50213 3 198 . 2 . 2 73 73 CYS H H 1 6.847 0.000 . 1 . . . . . 73 CYS H . 50213 3 199 . 2 . 2 73 73 CYS CA C 13 58.844 0.000 . 1 . . . . . 73 CYS CA . 50213 3 200 . 2 . 2 73 73 CYS N N 15 116.196 0.000 . 1 . . . . . 73 CYS N . 50213 3 201 . 2 . 2 74 74 ILE H H 1 7.602 0.000 . 1 . . . . . 74 ILE H . 50213 3 202 . 2 . 2 74 74 ILE N N 15 121.082 0.000 . 1 . . . . . 74 ILE N . 50213 3 203 . 2 . 2 76 76 GLN H H 1 8.233 0.000 . 1 . . . . . 76 GLN H . 50213 3 204 . 2 . 2 76 76 GLN N N 15 119.942 0.000 . 1 . . . . . 76 GLN N . 50213 3 205 . 2 . 2 78 78 LEU H H 1 7.835 0.000 . 1 . . . . . 78 LEU H . 50213 3 206 . 2 . 2 78 78 LEU C C 13 177.602 0.000 . 1 . . . . . 78 LEU C . 50213 3 207 . 2 . 2 78 78 LEU CA C 13 55.441 0.000 . 1 . . . . . 78 LEU CA . 50213 3 208 . 2 . 2 78 78 LEU N N 15 121.319 0.000 . 1 . . . . . 78 LEU N . 50213 3 209 . 2 . 2 79 79 ALA H H 1 8.026 0.000 . 1 . . . . . 79 ALA H . 50213 3 210 . 2 . 2 79 79 ALA C C 13 178.035 0.000 . 1 . . . . . 79 ALA C . 50213 3 211 . 2 . 2 79 79 ALA CA C 13 52.574 0.000 . 1 . . . . . 79 ALA CA . 50213 3 212 . 2 . 2 79 79 ALA CB C 13 18.132 0.000 . 1 . . . . . 79 ALA CB . 50213 3 213 . 2 . 2 79 79 ALA N N 15 123.668 0.000 . 1 . . . . . 79 ALA N . 50213 3 214 . 2 . 2 80 80 LYS H H 1 8.024 0.007 . 1 . . . . . 80 LYS H . 50213 3 215 . 2 . 2 80 80 LYS N N 15 120.958 0.037 . 1 . . . . . 80 LYS N . 50213 3 216 . 2 . 2 81 81 TYR H H 1 9.231 0.000 . 1 . . . . . 81 TYR H . 50213 3 217 . 2 . 2 81 81 TYR N N 15 120.878 0.000 . 1 . . . . . 81 TYR N . 50213 3 218 . 2 . 2 82 82 MET H H 1 8.890 0.000 . 1 . . . . . 82 MET H . 50213 3 219 . 2 . 2 82 82 MET N N 15 122.685 0.000 . 1 . . . . . 82 MET N . 50213 3 220 . 2 . 2 87 87 VAL H H 1 7.958 0.000 . 1 . . . . . 87 VAL H . 50213 3 221 . 2 . 2 87 87 VAL N N 15 117.916 0.000 . 1 . . . . . 87 VAL N . 50213 3 222 . 2 . 2 89 89 SER H H 1 8.577 0.000 . 1 . . . . . 89 SER H . 50213 3 223 . 2 . 2 89 89 SER CA C 13 61.385 0.000 . 1 . . . . . 89 SER CA . 50213 3 224 . 2 . 2 89 89 SER N N 15 115.388 0.000 . 1 . . . . . 89 SER N . 50213 3 225 . 2 . 2 90 90 LYS H H 1 7.599 0.000 . 1 . . . . . 90 LYS H . 50213 3 226 . 2 . 2 90 90 LYS CA C 13 59.057 0.000 . 1 . . . . . 90 LYS CA . 50213 3 227 . 2 . 2 90 90 LYS N N 15 119.402 0.000 . 1 . . . . . 90 LYS N . 50213 3 228 . 2 . 2 91 91 ALA H H 1 7.918 0.000 . 1 . . . . . 91 ALA H . 50213 3 229 . 2 . 2 91 91 ALA C C 13 180.003 0.000 . 1 . . . . . 91 ALA C . 50213 3 230 . 2 . 2 91 91 ALA CA C 13 54.332 0.000 . 1 . . . . . 91 ALA CA . 50213 3 231 . 2 . 2 91 91 ALA CB C 13 17.513 0.000 . 1 . . . . . 91 ALA CB . 50213 3 232 . 2 . 2 91 91 ALA N N 15 122.406 0.000 . 1 . . . . . 91 ALA N . 50213 3 233 . 2 . 2 92 92 TYR H H 1 8.864 0.000 . 1 . . . . . 92 TYR H . 50213 3 234 . 2 . 2 92 92 TYR CA C 13 60.951 0.000 . 1 . . . . . 92 TYR CA . 50213 3 235 . 2 . 2 92 92 TYR CB C 13 38.308 0.000 . 1 . . . . . 92 TYR CB . 50213 3 236 . 2 . 2 92 92 TYR N N 15 120.441 0.000 . 1 . . . . . 92 TYR N . 50213 3 237 . 2 . 2 93 93 ILE H H 1 8.493 0.000 . 1 . . . . . 93 ILE H . 50213 3 238 . 2 . 2 93 93 ILE C C 13 178.311 0.000 . 1 . . . . . 93 ILE C . 50213 3 239 . 2 . 2 93 93 ILE CA C 13 63.878 0.000 . 1 . . . . . 93 ILE CA . 50213 3 240 . 2 . 2 93 93 ILE N N 15 118.548 0.000 . 1 . . . . . 93 ILE N . 50213 3 241 . 2 . 2 94 94 SER H H 1 7.736 0.000 . 1 . . . . . 94 SER H . 50213 3 242 . 2 . 2 94 94 SER C C 13 176.187 0.000 . 1 . . . . . 94 SER C . 50213 3 243 . 2 . 2 94 94 SER CA C 13 61.254 0.000 . 1 . . . . . 94 SER CA . 50213 3 244 . 2 . 2 94 94 SER CB C 13 62.294 0.000 . 1 . . . . . 94 SER CB . 50213 3 245 . 2 . 2 94 94 SER N N 15 113.947 0.000 . 1 . . . . . 94 SER N . 50213 3 246 . 2 . 2 95 95 ARG H H 1 7.373 0.000 . 1 . . . . . 95 ARG H . 50213 3 247 . 2 . 2 95 95 ARG C C 13 178.629 0.000 . 1 . . . . . 95 ARG C . 50213 3 248 . 2 . 2 95 95 ARG CA C 13 56.902 0.000 . 1 . . . . . 95 ARG CA . 50213 3 249 . 2 . 2 95 95 ARG N N 15 120.937 0.000 . 1 . . . . . 95 ARG N . 50213 3 250 . 2 . 2 96 96 ILE H H 1 7.796 0.000 . 1 . . . . . 96 ILE H . 50213 3 251 . 2 . 2 96 96 ILE CA C 13 62.761 0.000 . 1 . . . . . 96 ILE CA . 50213 3 252 . 2 . 2 96 96 ILE CB C 13 36.513 0.000 . 1 . . . . . 96 ILE CB . 50213 3 253 . 2 . 2 96 96 ILE N N 15 117.707 0.000 . 1 . . . . . 96 ILE N . 50213 3 254 . 2 . 2 97 97 GLN H H 1 8.008 0.000 . 1 . . . . . 97 GLN H . 50213 3 255 . 2 . 2 97 97 GLN C C 13 176.800 0.000 . 1 . . . . . 97 GLN C . 50213 3 256 . 2 . 2 97 97 GLN CA C 13 56.982 0.000 . 1 . . . . . 97 GLN CA . 50213 3 257 . 2 . 2 97 97 GLN CB C 13 27.816 0.000 . 1 . . . . . 97 GLN CB . 50213 3 258 . 2 . 2 97 97 GLN N N 15 120.247 0.000 . 1 . . . . . 97 GLN N . 50213 3 259 . 2 . 2 98 98 ASN H H 1 7.851 0.000 . 1 . . . . . 98 ASN H . 50213 3 260 . 2 . 2 98 98 ASN C C 13 175.385 0.000 . 1 . . . . . 98 ASN C . 50213 3 261 . 2 . 2 98 98 ASN CA C 13 53.484 0.000 . 1 . . . . . 98 ASN CA . 50213 3 262 . 2 . 2 98 98 ASN CB C 13 38.276 0.000 . 1 . . . . . 98 ASN CB . 50213 3 263 . 2 . 2 98 98 ASN N N 15 118.138 0.000 . 1 . . . . . 98 ASN N . 50213 3 264 . 2 . 2 99 99 ALA H H 1 7.931 0.000 . 1 . . . . . 99 ALA H . 50213 3 265 . 2 . 2 99 99 ALA C C 13 178.074 0.000 . 1 . . . . . 99 ALA C . 50213 3 266 . 2 . 2 99 99 ALA CA C 13 52.877 0.000 . 1 . . . . . 99 ALA CA . 50213 3 267 . 2 . 2 99 99 ALA CB C 13 18.215 0.000 . 1 . . . . . 99 ALA CB . 50213 3 268 . 2 . 2 99 99 ALA N N 15 123.971 0.000 . 1 . . . . . 99 ALA N . 50213 3 269 . 2 . 2 100 100 SER H H 1 8.052 0.000 . 1 . . . . . 100 SER H . 50213 3 270 . 2 . 2 100 100 SER C C 13 174.771 0.000 . 1 . . . . . 100 SER C . 50213 3 271 . 2 . 2 100 100 SER CA C 13 58.293 0.000 . 1 . . . . . 100 SER CA . 50213 3 272 . 2 . 2 100 100 SER CB C 13 62.999 0.000 . 1 . . . . . 100 SER CB . 50213 3 273 . 2 . 2 100 100 SER N N 15 114.494 0.000 . 1 . . . . . 100 SER N . 50213 3 274 . 2 . 2 101 101 ALA H H 1 8.076 0.000 . 1 . . . . . 101 ALA H . 50213 3 275 . 2 . 2 101 101 ALA C C 13 177.895 0.000 . 1 . . . . . 101 ALA C . 50213 3 276 . 2 . 2 101 101 ALA CA C 13 52.478 0.000 . 1 . . . . . 101 ALA CA . 50213 3 277 . 2 . 2 101 101 ALA CB C 13 18.184 0.000 . 1 . . . . . 101 ALA CB . 50213 3 278 . 2 . 2 101 101 ALA N N 15 125.888 0.000 . 1 . . . . . 101 ALA N . 50213 3 279 . 2 . 2 102 102 SER H H 1 8.066 0.000 . 1 . . . . . 102 SER H . 50213 3 280 . 2 . 2 102 102 SER C C 13 175.006 0.000 . 1 . . . . . 102 SER C . 50213 3 281 . 2 . 2 102 102 SER CA C 13 58.124 0.000 . 1 . . . . . 102 SER CA . 50213 3 282 . 2 . 2 102 102 SER CB C 13 63.165 0.000 . 1 . . . . . 102 SER CB . 50213 3 283 . 2 . 2 102 102 SER N N 15 114.369 0.000 . 1 . . . . . 102 SER N . 50213 3 284 . 2 . 2 103 103 GLY H H 1 8.128 0.000 . 1 . . . . . 103 GLY H . 50213 3 285 . 2 . 2 103 103 GLY C C 13 173.841 0.000 . 1 . . . . . 103 GLY C . 50213 3 286 . 2 . 2 103 103 GLY CA C 13 44.903 0.000 . 1 . . . . . 103 GLY CA . 50213 3 287 . 2 . 2 103 103 GLY N N 15 111.033 0.000 . 1 . . . . . 103 GLY N . 50213 3 288 . 2 . 2 104 104 GLU H H 1 8.067 0.000 . 1 . . . . . 104 GLU H . 50213 3 289 . 2 . 2 104 104 GLU C C 13 175.454 0.000 . 1 . . . . . 104 GLU C . 50213 3 290 . 2 . 2 104 104 GLU CA C 13 56.172 0.000 . 1 . . . . . 104 GLU CA . 50213 3 291 . 2 . 2 104 104 GLU CB C 13 29.538 0.000 . 1 . . . . . 104 GLU CB . 50213 3 292 . 2 . 2 104 104 GLU N N 15 121.327 0.000 . 1 . . . . . 104 GLU N . 50213 3 293 . 2 . 2 105 105 ILE H H 1 7.562 0.000 . 1 . . . . . 105 ILE H . 50213 3 294 . 2 . 2 105 105 ILE C C 13 180.833 0.000 . 1 . . . . . 105 ILE C . 50213 3 295 . 2 . 2 105 105 ILE CA C 13 62.308 0.000 . 1 . . . . . 105 ILE CA . 50213 3 296 . 2 . 2 105 105 ILE CB C 13 38.719 0.000 . 1 . . . . . 105 ILE CB . 50213 3 297 . 2 . 2 105 105 ILE N N 15 125.699 0.000 . 1 . . . . . 105 ILE N . 50213 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 50213 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name Tim13_60C _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N BEST-TROSY HSQC' . . . 50213 4 9 '3D BEST-TROSY HNCO' . . . 50213 4 10 '3D BEST-TROSY HNCA' . . . 50213 4 11 '3D BEST-TROSY HN(CO)CA' . . . 50213 4 12 '3D BEST-TROSY HN(COCA)CB' . . . 50213 4 13 '3D BEST-TROSY HN(CA)CO' . . . 50213 4 14 '3D BEST-TROSY HN(CA)CB' . . . 50213 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50213 4 2 $software_2 . . 50213 4 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 . 2 . 2 6 6 ILE H H 1 7.703 0.000 . 1 . . . . . 6 ILE H . 50213 4 2 . 2 . 2 6 6 ILE C C 13 175.933 0.000 . 1 . . . . . 6 ILE C . 50213 4 3 . 2 . 2 6 6 ILE CA C 13 61.326 0.000 . 1 . . . . . 6 ILE CA . 50213 4 4 . 2 . 2 6 6 ILE CB C 13 37.623 0.000 . 1 . . . . . 6 ILE CB . 50213 4 5 . 2 . 2 6 6 ILE N N 15 120.984 0.000 . 1 . . . . . 6 ILE N . 50213 4 6 . 2 . 2 7 7 PHE H H 1 7.888 0.000 . 1 . . . . . 7 PHE H . 50213 4 7 . 2 . 2 7 7 PHE C C 13 177.187 0.000 . 1 . . . . . 7 PHE C . 50213 4 8 . 2 . 2 7 7 PHE CA C 13 57.308 0.000 . 1 . . . . . 7 PHE CA . 50213 4 9 . 2 . 2 7 7 PHE N N 15 122.087 0.000 . 1 . . . . . 7 PHE N . 50213 4 10 . 2 . 2 15 15 GLN H H 1 8.027 0.000 . 1 . . . . . 15 GLN H . 50213 4 11 . 2 . 2 15 15 GLN C C 13 177.238 0.000 . 1 . . . . . 15 GLN C . 50213 4 12 . 2 . 2 15 15 GLN CA C 13 57.477 0.000 . 1 . . . . . 15 GLN CA . 50213 4 13 . 2 . 2 15 15 GLN N N 15 118.819 0.000 . 1 . . . . . 15 GLN N . 50213 4 14 . 2 . 2 16 16 LYS H H 1 8.079 0.000 . 1 . . . . . 16 LYS H . 50213 4 15 . 2 . 2 16 16 LYS C C 13 176.493 0.000 . 1 . . . . . 16 LYS C . 50213 4 16 . 2 . 2 16 16 LYS CA C 13 56.241 0.000 . 1 . . . . . 16 LYS CA . 50213 4 17 . 2 . 2 16 16 LYS CB C 13 32.128 0.000 . 1 . . . . . 16 LYS CB . 50213 4 18 . 2 . 2 16 16 LYS N N 15 122.503 0.000 . 1 . . . . . 16 LYS N . 50213 4 19 . 2 . 2 17 17 GLU H H 1 8.213 0.000 . 1 . . . . . 17 GLU H . 50213 4 20 . 2 . 2 17 17 GLU C C 13 176.222 0.000 . 1 . . . . . 17 GLU C . 50213 4 21 . 2 . 2 17 17 GLU CA C 13 56.306 0.000 . 1 . . . . . 17 GLU CA . 50213 4 22 . 2 . 2 17 17 GLU CB C 13 29.421 0.000 . 1 . . . . . 17 GLU CB . 50213 4 23 . 2 . 2 17 17 GLU N N 15 121.701 0.000 . 1 . . . . . 17 GLU N . 50213 4 24 . 2 . 2 18 18 ALA H H 1 8.044 0.000 . 1 . . . . . 18 ALA H . 50213 4 25 . 2 . 2 18 18 ALA C C 13 177.428 0.000 . 1 . . . . . 18 ALA C . 50213 4 26 . 2 . 2 18 18 ALA CA C 13 52.121 0.000 . 1 . . . . . 18 ALA CA . 50213 4 27 . 2 . 2 18 18 ALA CB C 13 18.508 0.000 . 1 . . . . . 18 ALA CB . 50213 4 28 . 2 . 2 18 18 ALA N N 15 124.891 0.000 . 1 . . . . . 18 ALA N . 50213 4 29 . 2 . 2 19 19 ALA H H 1 8.014 0.000 . 1 . . . . . 19 ALA H . 50213 4 30 . 2 . 2 19 19 ALA C C 13 178.036 0.000 . 1 . . . . . 19 ALA C . 50213 4 31 . 2 . 2 19 19 ALA CA C 13 52.209 0.000 . 1 . . . . . 19 ALA CA . 50213 4 32 . 2 . 2 19 19 ALA CB C 13 18.511 0.000 . 1 . . . . . 19 ALA CB . 50213 4 33 . 2 . 2 19 19 ALA N N 15 122.824 0.000 . 1 . . . . . 19 ALA N . 50213 4 34 . 2 . 2 20 20 THR H H 1 7.868 0.000 . 1 . . . . . 20 THR H . 50213 4 35 . 2 . 2 20 20 THR C C 13 174.889 0.000 . 1 . . . . . 20 THR C . 50213 4 36 . 2 . 2 20 20 THR CB C 13 69.285 0.000 . 1 . . . . . 20 THR CB . 50213 4 37 . 2 . 2 20 20 THR N N 15 112.515 0.000 . 1 . . . . . 20 THR N . 50213 4 38 . 2 . 2 21 21 THR H H 1 7.949 0.000 . 1 . . . . . 21 THR H . 50213 4 39 . 2 . 2 21 21 THR C C 13 172.779 0.000 . 1 . . . . . 21 THR C . 50213 4 40 . 2 . 2 21 21 THR CA C 13 59.227 0.000 . 1 . . . . . 21 THR CA . 50213 4 41 . 2 . 2 21 21 THR N N 15 118.499 0.000 . 1 . . . . . 21 THR N . 50213 4 42 . 2 . 2 30 30 ALA H H 1 7.996 0.000 . 1 . . . . . 30 ALA H . 50213 4 43 . 2 . 2 30 30 ALA C C 13 177.460 0.000 . 1 . . . . . 30 ALA C . 50213 4 44 . 2 . 2 30 30 ALA CA C 13 52.591 0.000 . 1 . . . . . 30 ALA CA . 50213 4 45 . 2 . 2 30 30 ALA N N 15 126.164 0.000 . 1 . . . . . 30 ALA N . 50213 4 46 . 2 . 2 31 31 LYS H H 1 7.896 0.000 . 1 . . . . . 31 LYS H . 50213 4 47 . 2 . 2 31 31 LYS CA C 13 62.156 0.000 . 1 . . . . . 31 LYS CA . 50213 4 48 . 2 . 2 31 31 LYS CB C 13 32.007 0.000 . 1 . . . . . 31 LYS CB . 50213 4 49 . 2 . 2 31 31 LYS N N 15 119.787 0.000 . 1 . . . . . 31 LYS N . 50213 4 50 . 2 . 2 32 32 GLU H H 1 8.108 0.000 . 1 . . . . . 32 GLU H . 50213 4 51 . 2 . 2 32 32 GLU C C 13 176.855 0.000 . 1 . . . . . 32 GLU C . 50213 4 52 . 2 . 2 32 32 GLU CA C 13 56.728 0.000 . 1 . . . . . 32 GLU CA . 50213 4 53 . 2 . 2 32 32 GLU CB C 13 29.214 0.000 . 1 . . . . . 32 GLU CB . 50213 4 54 . 2 . 2 32 32 GLU N N 15 121.093 0.000 . 1 . . . . . 32 GLU N . 50213 4 55 . 2 . 2 33 33 LEU H H 1 7.890 0.000 . 1 . . . . . 33 LEU H . 50213 4 56 . 2 . 2 33 33 LEU C C 13 177.595 0.000 . 1 . . . . . 33 LEU C . 50213 4 57 . 2 . 2 33 33 LEU CA C 13 55.672 0.000 . 1 . . . . . 33 LEU CA . 50213 4 58 . 2 . 2 33 33 LEU CB C 13 41.241 0.000 . 1 . . . . . 33 LEU CB . 50213 4 59 . 2 . 2 33 33 LEU N N 15 122.403 0.000 . 1 . . . . . 33 LEU N . 50213 4 60 . 2 . 2 34 34 LYS H H 1 7.948 0.000 . 1 . . . . . 34 LYS H . 50213 4 61 . 2 . 2 34 34 LYS C C 13 176.733 0.000 . 1 . . . . . 34 LYS C . 50213 4 62 . 2 . 2 34 34 LYS CA C 13 57.166 0.000 . 1 . . . . . 34 LYS CA . 50213 4 63 . 2 . 2 34 34 LYS CB C 13 31.757 0.000 . 1 . . . . . 34 LYS CB . 50213 4 64 . 2 . 2 34 34 LYS N N 15 120.110 0.000 . 1 . . . . . 34 LYS N . 50213 4 65 . 2 . 2 35 35 ASN H H 1 7.828 0.000 . 1 . . . . . 35 ASN H . 50213 4 66 . 2 . 2 35 35 ASN C C 13 175.843 0.000 . 1 . . . . . 35 ASN C . 50213 4 67 . 2 . 2 35 35 ASN CB C 13 38.390 0.000 . 1 . . . . . 35 ASN CB . 50213 4 68 . 2 . 2 35 35 ASN N N 15 120.871 0.000 . 1 . . . . . 35 ASN N . 50213 4 69 . 2 . 2 36 36 GLN H H 1 8.047 0.000 . 1 . . . . . 36 GLN H . 50213 4 70 . 2 . 2 36 36 GLN CA C 13 56.937 0.000 . 1 . . . . . 36 GLN CA . 50213 4 71 . 2 . 2 36 36 GLN N N 15 120.463 0.000 . 1 . . . . . 36 GLN N . 50213 4 72 . 2 . 2 37 37 ILE H H 1 7.903 0.000 . 1 . . . . . 37 ILE H . 50213 4 73 . 2 . 2 37 37 ILE CA C 13 62.185 0.000 . 1 . . . . . 37 ILE CA . 50213 4 74 . 2 . 2 37 37 ILE CB C 13 38.305 0.000 . 1 . . . . . 37 ILE CB . 50213 4 75 . 2 . 2 37 37 ILE N N 15 120.030 0.000 . 1 . . . . . 37 ILE N . 50213 4 76 . 2 . 2 38 38 ALA H H 1 7.936 0.000 . 1 . . . . . 38 ALA H . 50213 4 77 . 2 . 2 38 38 ALA C C 13 178.690 0.000 . 1 . . . . . 38 ALA C . 50213 4 78 . 2 . 2 38 38 ALA CA C 13 53.333 0.000 . 1 . . . . . 38 ALA CA . 50213 4 79 . 2 . 2 38 38 ALA CB C 13 18.026 0.000 . 1 . . . . . 38 ALA CB . 50213 4 80 . 2 . 2 38 38 ALA N N 15 124.250 0.000 . 1 . . . . . 38 ALA N . 50213 4 81 . 2 . 2 39 39 GLN H H 1 7.928 0.000 . 1 . . . . . 39 GLN H . 50213 4 82 . 2 . 2 39 39 GLN C C 13 176.988 0.000 . 1 . . . . . 39 GLN C . 50213 4 83 . 2 . 2 39 39 GLN CA C 13 57.111 0.000 . 1 . . . . . 39 GLN CA . 50213 4 84 . 2 . 2 39 39 GLN CB C 13 28.325 0.000 . 1 . . . . . 39 GLN CB . 50213 4 85 . 2 . 2 39 39 GLN N N 15 118.268 0.000 . 1 . . . . . 39 GLN N . 50213 4 86 . 2 . 2 40 40 GLU H H 1 8.132 0.000 . 1 . . . . . 40 GLU H . 50213 4 87 . 2 . 2 40 40 GLU C C 13 177.491 0.000 . 1 . . . . . 40 GLU C . 50213 4 88 . 2 . 2 40 40 GLU CA C 13 57.516 0.000 . 1 . . . . . 40 GLU CA . 50213 4 89 . 2 . 2 40 40 GLU CB C 13 28.938 0.000 . 1 . . . . . 40 GLU CB . 50213 4 90 . 2 . 2 40 40 GLU N N 15 119.977 0.000 . 1 . . . . . 40 GLU N . 50213 4 91 . 2 . 2 41 41 LEU H H 1 7.871 0.000 . 1 . . . . . 41 LEU H . 50213 4 92 . 2 . 2 41 41 LEU C C 13 177.297 0.000 . 1 . . . . . 41 LEU C . 50213 4 93 . 2 . 2 41 41 LEU CA C 13 55.644 0.000 . 1 . . . . . 41 LEU CA . 50213 4 94 . 2 . 2 41 41 LEU CB C 13 41.257 0.000 . 1 . . . . . 41 LEU CB . 50213 4 95 . 2 . 2 41 41 LEU N N 15 120.384 0.000 . 1 . . . . . 41 LEU N . 50213 4 96 . 2 . 2 42 42 ALA H H 1 7.784 0.000 . 1 . . . . . 42 ALA H . 50213 4 97 . 2 . 2 42 42 ALA C C 13 178.314 0.000 . 1 . . . . . 42 ALA C . 50213 4 98 . 2 . 2 42 42 ALA CA C 13 52.971 0.000 . 1 . . . . . 42 ALA CA . 50213 4 99 . 2 . 2 42 42 ALA CB C 13 17.953 0.000 . 1 . . . . . 42 ALA CB . 50213 4 100 . 2 . 2 42 42 ALA N N 15 122.857 0.000 . 1 . . . . . 42 ALA N . 50213 4 101 . 2 . 2 43 43 VAL H H 1 7.597 0.000 . 1 . . . . . 43 VAL H . 50213 4 102 . 2 . 2 43 43 VAL C C 13 176.505 0.000 . 1 . . . . . 43 VAL C . 50213 4 103 . 2 . 2 43 43 VAL CA C 13 62.770 0.000 . 1 . . . . . 43 VAL CA . 50213 4 104 . 2 . 2 43 43 VAL CB C 13 31.523 0.000 . 1 . . . . . 43 VAL CB . 50213 4 105 . 2 . 2 43 43 VAL N N 15 116.745 0.000 . 1 . . . . . 43 VAL N . 50213 4 106 . 2 . 2 44 44 ALA H H 1 7.915 0.000 . 1 . . . . . 44 ALA H . 50213 4 107 . 2 . 2 44 44 ALA C C 13 177.889 0.000 . 1 . . . . . 44 ALA C . 50213 4 108 . 2 . 2 44 44 ALA CA C 13 53.157 0.000 . 1 . . . . . 44 ALA CA . 50213 4 109 . 2 . 2 44 44 ALA CB C 13 18.057 0.000 . 1 . . . . . 44 ALA CB . 50213 4 110 . 2 . 2 44 44 ALA N N 15 124.628 0.000 . 1 . . . . . 44 ALA N . 50213 4 111 . 2 . 2 45 45 ASN H H 1 7.976 0.000 . 1 . . . . . 45 ASN H . 50213 4 112 . 2 . 2 45 45 ASN C C 13 175.624 0.000 . 1 . . . . . 45 ASN C . 50213 4 113 . 2 . 2 45 45 ASN CA C 13 53.416 0.000 . 1 . . . . . 45 ASN CA . 50213 4 114 . 2 . 2 45 45 ASN CB C 13 38.216 0.000 . 1 . . . . . 45 ASN CB . 50213 4 115 . 2 . 2 45 45 ASN N N 15 116.106 0.000 . 1 . . . . . 45 ASN N . 50213 4 116 . 2 . 2 46 46 ALA H H 1 7.993 0.000 . 1 . . . . . 46 ALA H . 50213 4 117 . 2 . 2 46 46 ALA C C 13 178.302 0.000 . 1 . . . . . 46 ALA C . 50213 4 118 . 2 . 2 46 46 ALA CA C 13 53.770 0.000 . 1 . . . . . 46 ALA CA . 50213 4 119 . 2 . 2 46 46 ALA CB C 13 18.101 0.000 . 1 . . . . . 46 ALA CB . 50213 4 120 . 2 . 2 46 46 ALA N N 15 123.736 0.000 . 1 . . . . . 46 ALA N . 50213 4 121 . 2 . 2 47 47 THR H H 1 7.876 0.000 . 1 . . . . . 47 THR H . 50213 4 122 . 2 . 2 47 47 THR CA C 13 65.124 0.000 . 1 . . . . . 47 THR CA . 50213 4 123 . 2 . 2 47 47 THR CB C 13 68.380 0.000 . 1 . . . . . 47 THR CB . 50213 4 124 . 2 . 2 47 47 THR N N 15 113.332 0.000 . 1 . . . . . 47 THR N . 50213 4 125 . 2 . 2 48 48 GLU H H 1 8.152 0.000 . 1 . . . . . 48 GLU H . 50213 4 126 . 2 . 2 48 48 GLU C C 13 178.636 0.000 . 1 . . . . . 48 GLU C . 50213 4 127 . 2 . 2 48 48 GLU CA C 13 60.299 0.000 . 1 . . . . . 48 GLU CA . 50213 4 128 . 2 . 2 48 48 GLU N N 15 120.299 0.000 . 1 . . . . . 48 GLU N . 50213 4 129 . 2 . 2 49 49 LEU H H 1 7.800 0.000 . 1 . . . . . 49 LEU H . 50213 4 130 . 2 . 2 49 49 LEU C C 13 178.223 0.000 . 1 . . . . . 49 LEU C . 50213 4 131 . 2 . 2 49 49 LEU CA C 13 56.754 0.000 . 1 . . . . . 49 LEU CA . 50213 4 132 . 2 . 2 49 49 LEU CB C 13 39.248 0.000 . 1 . . . . . 49 LEU CB . 50213 4 133 . 2 . 2 49 49 LEU N N 15 116.041 0.000 . 1 . . . . . 49 LEU N . 50213 4 134 . 2 . 2 50 50 VAL H H 1 8.751 0.000 . 1 . . . . . 50 VAL H . 50213 4 135 . 2 . 2 50 50 VAL C C 13 176.292 0.000 . 1 . . . . . 50 VAL C . 50213 4 136 . 2 . 2 50 50 VAL CA C 13 56.064 0.000 . 1 . . . . . 50 VAL CA . 50213 4 137 . 2 . 2 50 50 VAL N N 15 116.807 0.000 . 1 . . . . . 50 VAL N . 50213 4 138 . 2 . 2 51 51 ASN H H 1 8.941 0.000 . 1 . . . . . 51 ASN H . 50213 4 139 . 2 . 2 51 51 ASN C C 13 177.097 0.000 . 1 . . . . . 51 ASN C . 50213 4 140 . 2 . 2 51 51 ASN CA C 13 61.471 0.000 . 1 . . . . . 51 ASN CA . 50213 4 141 . 2 . 2 51 51 ASN N N 15 124.421 0.000 . 1 . . . . . 51 ASN N . 50213 4 142 . 2 . 2 52 52 LYS H H 1 7.557 0.000 . 1 . . . . . 52 LYS H . 50213 4 143 . 2 . 2 52 52 LYS C C 13 178.646 0.000 . 1 . . . . . 52 LYS C . 50213 4 144 . 2 . 2 52 52 LYS CA C 13 58.354 0.000 . 1 . . . . . 52 LYS CA . 50213 4 145 . 2 . 2 52 52 LYS N N 15 115.629 0.000 . 1 . . . . . 52 LYS N . 50213 4 146 . 2 . 2 53 53 ILE H H 1 7.552 0.000 . 1 . . . . . 53 ILE H . 50213 4 147 . 2 . 2 53 53 ILE C C 13 178.615 0.000 . 1 . . . . . 53 ILE C . 50213 4 148 . 2 . 2 53 53 ILE CA C 13 56.855 0.000 . 1 . . . . . 53 ILE CA . 50213 4 149 . 2 . 2 53 53 ILE N N 15 114.013 0.000 . 1 . . . . . 53 ILE N . 50213 4 150 . 2 . 2 54 54 SER H H 1 8.418 0.000 . 1 . . . . . 54 SER H . 50213 4 151 . 2 . 2 54 54 SER C C 13 174.704 0.000 . 1 . . . . . 54 SER C . 50213 4 152 . 2 . 2 54 54 SER CA C 13 62.696 0.000 . 1 . . . . . 54 SER CA . 50213 4 153 . 2 . 2 54 54 SER CB C 13 61.543 0.000 . 1 . . . . . 54 SER CB . 50213 4 154 . 2 . 2 54 54 SER N N 15 118.567 0.000 . 1 . . . . . 54 SER N . 50213 4 155 . 2 . 2 55 55 GLU H H 1 8.599 0.000 . 1 . . . . . 55 GLU H . 50213 4 156 . 2 . 2 55 55 GLU C C 13 178.677 0.000 . 1 . . . . . 55 GLU C . 50213 4 157 . 2 . 2 55 55 GLU CA C 13 59.633 0.000 . 1 . . . . . 55 GLU CA . 50213 4 158 . 2 . 2 55 55 GLU CB C 13 28.430 0.000 . 1 . . . . . 55 GLU CB . 50213 4 159 . 2 . 2 55 55 GLU N N 15 124.440 0.000 . 1 . . . . . 55 GLU N . 50213 4 160 . 2 . 2 56 56 ASN H H 1 7.712 0.000 . 1 . . . . . 56 ASN H . 50213 4 161 . 2 . 2 56 56 ASN C C 13 177.540 0.000 . 1 . . . . . 56 ASN C . 50213 4 162 . 2 . 2 56 56 ASN CA C 13 56.836 0.000 . 1 . . . . . 56 ASN CA . 50213 4 163 . 2 . 2 56 56 ASN CB C 13 38.599 0.000 . 1 . . . . . 56 ASN CB . 50213 4 164 . 2 . 2 56 56 ASN N N 15 117.845 0.000 . 1 . . . . . 56 ASN N . 50213 4 165 . 2 . 2 58 58 PHE H H 1 7.828 0.000 . 1 . . . . . 58 PHE H . 50213 4 166 . 2 . 2 58 58 PHE C C 13 176.961 0.000 . 1 . . . . . 58 PHE C . 50213 4 167 . 2 . 2 58 58 PHE CA C 13 64.778 0.000 . 1 . . . . . 58 PHE CA . 50213 4 168 . 2 . 2 58 58 PHE N N 15 120.275 0.000 . 1 . . . . . 58 PHE N . 50213 4 169 . 2 . 2 59 59 GLU H H 1 8.053 0.000 . 1 . . . . . 59 GLU H . 50213 4 170 . 2 . 2 59 59 GLU C C 13 177.479 0.000 . 1 . . . . . 59 GLU C . 50213 4 171 . 2 . 2 59 59 GLU CA C 13 58.226 0.000 . 1 . . . . . 59 GLU CA . 50213 4 172 . 2 . 2 59 59 GLU CB C 13 28.127 0.000 . 1 . . . . . 59 GLU CB . 50213 4 173 . 2 . 2 59 59 GLU N N 15 119.744 0.000 . 1 . . . . . 59 GLU N . 50213 4 174 . 2 . 2 60 60 LYS H H 1 8.001 0.000 . 1 . . . . . 60 LYS H . 50213 4 175 . 2 . 2 60 60 LYS C C 13 178.057 0.000 . 1 . . . . . 60 LYS C . 50213 4 176 . 2 . 2 60 60 LYS CA C 13 57.064 0.000 . 1 . . . . . 60 LYS CA . 50213 4 177 . 2 . 2 60 60 LYS N N 15 118.196 0.000 . 1 . . . . . 60 LYS N . 50213 4 178 . 2 . 2 61 61 CYS H H 1 7.673 0.000 . 1 . . . . . 61 CYS H . 50213 4 179 . 2 . 2 61 61 CYS C C 13 174.281 0.000 . 1 . . . . . 61 CYS C . 50213 4 180 . 2 . 2 61 61 CYS CA C 13 55.392 0.000 . 1 . . . . . 61 CYS CA . 50213 4 181 . 2 . 2 61 61 CYS CB C 13 41.173 0.000 . 1 . . . . . 61 CYS CB . 50213 4 182 . 2 . 2 61 61 CYS N N 15 112.564 0.000 . 1 . . . . . 61 CYS N . 50213 4 183 . 2 . 2 62 62 LEU H H 1 7.762 0.000 . 1 . . . . . 62 LEU H . 50213 4 184 . 2 . 2 62 62 LEU C C 13 175.292 0.000 . 1 . . . . . 62 LEU C . 50213 4 185 . 2 . 2 62 62 LEU CA C 13 53.591 0.000 . 1 . . . . . 62 LEU CA . 50213 4 186 . 2 . 2 62 62 LEU CB C 13 42.793 0.000 . 1 . . . . . 62 LEU CB . 50213 4 187 . 2 . 2 62 62 LEU N N 15 121.257 0.000 . 1 . . . . . 62 LEU N . 50213 4 188 . 2 . 2 63 63 THR H H 1 7.746 0.000 . 1 . . . . . 63 THR H . 50213 4 189 . 2 . 2 63 63 THR C C 13 173.217 0.000 . 1 . . . . . 63 THR C . 50213 4 190 . 2 . 2 63 63 THR CA C 13 59.117 0.000 . 1 . . . . . 63 THR CA . 50213 4 191 . 2 . 2 63 63 THR CB C 13 70.914 0.000 . 1 . . . . . 63 THR CB . 50213 4 192 . 2 . 2 63 63 THR N N 15 112.883 0.000 . 1 . . . . . 63 THR N . 50213 4 193 . 2 . 2 66 66 TYR H H 1 8.922 0.000 . 1 . . . . . 66 TYR H . 50213 4 194 . 2 . 2 66 66 TYR C C 13 174.572 0.000 . 1 . . . . . 66 TYR C . 50213 4 195 . 2 . 2 66 66 TYR CA C 13 59.959 0.000 . 1 . . . . . 66 TYR CA . 50213 4 196 . 2 . 2 66 66 TYR CB C 13 32.825 0.000 . 1 . . . . . 66 TYR CB . 50213 4 197 . 2 . 2 66 66 TYR N N 15 118.404 0.000 . 1 . . . . . 66 TYR N . 50213 4 198 . 2 . 2 67 67 ALA H H 1 7.786 0.000 . 1 . . . . . 67 ALA H . 50213 4 199 . 2 . 2 67 67 ALA C C 13 177.759 0.000 . 1 . . . . . 67 ALA C . 50213 4 200 . 2 . 2 67 67 ALA CA C 13 53.266 0.000 . 1 . . . . . 67 ALA CA . 50213 4 201 . 2 . 2 67 67 ALA CB C 13 19.052 0.000 . 1 . . . . . 67 ALA CB . 50213 4 202 . 2 . 2 67 67 ALA N N 15 119.877 0.000 . 1 . . . . . 67 ALA N . 50213 4 203 . 2 . 2 68 68 THR H H 1 7.562 0.000 . 1 . . . . . 68 THR H . 50213 4 204 . 2 . 2 68 68 THR C C 13 173.574 0.000 . 1 . . . . . 68 THR C . 50213 4 205 . 2 . 2 68 68 THR CA C 13 59.888 0.000 . 1 . . . . . 68 THR CA . 50213 4 206 . 2 . 2 68 68 THR CB C 13 70.397 0.000 . 1 . . . . . 68 THR CB . 50213 4 207 . 2 . 2 68 68 THR N N 15 110.143 0.000 . 1 . . . . . 68 THR N . 50213 4 208 . 2 . 2 69 69 ARG H H 1 8.199 0.000 . 1 . . . . . 69 ARG H . 50213 4 209 . 2 . 2 69 69 ARG C C 13 175.724 0.000 . 1 . . . . . 69 ARG C . 50213 4 210 . 2 . 2 69 69 ARG CA C 13 56.045 0.000 . 1 . . . . . 69 ARG CA . 50213 4 211 . 2 . 2 69 69 ARG CB C 13 31.022 0.000 . 1 . . . . . 69 ARG CB . 50213 4 212 . 2 . 2 69 69 ARG N N 15 122.303 0.000 . 1 . . . . . 69 ARG N . 50213 4 213 . 2 . 2 70 70 ASN H H 1 8.549 0.000 . 1 . . . . . 70 ASN H . 50213 4 214 . 2 . 2 70 70 ASN C C 13 174.793 0.000 . 1 . . . . . 70 ASN C . 50213 4 215 . 2 . 2 70 70 ASN CA C 13 51.261 0.000 . 1 . . . . . 70 ASN CA . 50213 4 216 . 2 . 2 70 70 ASN CB C 13 37.039 0.000 . 1 . . . . . 70 ASN CB . 50213 4 217 . 2 . 2 70 70 ASN N N 15 120.042 0.000 . 1 . . . . . 70 ASN N . 50213 4 218 . 2 . 2 71 71 ASP H H 1 8.175 0.000 . 1 . . . . . 71 ASP H . 50213 4 219 . 2 . 2 71 71 ASP C C 13 177.359 0.000 . 1 . . . . . 71 ASP C . 50213 4 220 . 2 . 2 71 71 ASP CA C 13 57.853 0.000 . 1 . . . . . 71 ASP CA . 50213 4 221 . 2 . 2 71 71 ASP CB C 13 39.753 0.000 . 1 . . . . . 71 ASP CB . 50213 4 222 . 2 . 2 71 71 ASP N N 15 122.778 0.000 . 1 . . . . . 71 ASP N . 50213 4 223 . 2 . 2 72 72 ALA H H 1 8.270 0.000 . 1 . . . . . 72 ALA H . 50213 4 224 . 2 . 2 72 72 ALA C C 13 179.726 0.000 . 1 . . . . . 72 ALA C . 50213 4 225 . 2 . 2 72 72 ALA CA C 13 54.690 0.000 . 1 . . . . . 72 ALA CA . 50213 4 226 . 2 . 2 72 72 ALA CB C 13 17.070 0.000 . 1 . . . . . 72 ALA CB . 50213 4 227 . 2 . 2 72 72 ALA N N 15 119.726 0.000 . 1 . . . . . 72 ALA N . 50213 4 228 . 2 . 2 73 73 CYS H H 1 6.892 0.000 . 1 . . . . . 73 CYS H . 50213 4 229 . 2 . 2 73 73 CYS C C 13 176.347 0.000 . 1 . . . . . 73 CYS C . 50213 4 230 . 2 . 2 73 73 CYS CA C 13 59.063 0.000 . 1 . . . . . 73 CYS CA . 50213 4 231 . 2 . 2 73 73 CYS CB C 13 36.986 0.000 . 1 . . . . . 73 CYS CB . 50213 4 232 . 2 . 2 73 73 CYS N N 15 115.795 0.000 . 1 . . . . . 73 CYS N . 50213 4 233 . 2 . 2 74 74 ILE H H 1 7.536 0.000 . 1 . . . . . 74 ILE H . 50213 4 234 . 2 . 2 74 74 ILE C C 13 177.446 0.000 . 1 . . . . . 74 ILE C . 50213 4 235 . 2 . 2 74 74 ILE CA C 13 63.586 0.000 . 1 . . . . . 74 ILE CA . 50213 4 236 . 2 . 2 74 74 ILE CB C 13 34.535 0.000 . 1 . . . . . 74 ILE CB . 50213 4 237 . 2 . 2 74 74 ILE N N 15 120.579 0.000 . 1 . . . . . 74 ILE N . 50213 4 238 . 2 . 2 75 75 ASP H H 1 8.048 0.000 . 1 . . . . . 75 ASP H . 50213 4 239 . 2 . 2 75 75 ASP C C 13 180.148 0.000 . 1 . . . . . 75 ASP C . 50213 4 240 . 2 . 2 75 75 ASP CA C 13 57.424 0.000 . 1 . . . . . 75 ASP CA . 50213 4 241 . 2 . 2 75 75 ASP CB C 13 39.331 0.000 . 1 . . . . . 75 ASP CB . 50213 4 242 . 2 . 2 75 75 ASP N N 15 120.239 0.000 . 1 . . . . . 75 ASP N . 50213 4 243 . 2 . 2 76 76 GLN H H 1 8.235 0.000 . 1 . . . . . 76 GLN H . 50213 4 244 . 2 . 2 76 76 GLN CA C 13 59.121 0.000 . 1 . . . . . 76 GLN CA . 50213 4 245 . 2 . 2 76 76 GLN CB C 13 29.013 0.000 . 1 . . . . . 76 GLN CB . 50213 4 246 . 2 . 2 76 76 GLN N N 15 119.625 0.000 . 1 . . . . . 76 GLN N . 50213 4 247 . 2 . 2 78 78 LEU H H 1 7.846 0.000 . 1 . . . . . 78 LEU H . 50213 4 248 . 2 . 2 78 78 LEU C C 13 177.558 0.000 . 1 . . . . . 78 LEU C . 50213 4 249 . 2 . 2 78 78 LEU CA C 13 55.251 0.000 . 1 . . . . . 78 LEU CA . 50213 4 250 . 2 . 2 78 78 LEU CB C 13 41.308 0.000 . 1 . . . . . 78 LEU CB . 50213 4 251 . 2 . 2 78 78 LEU N N 15 120.888 0.000 . 1 . . . . . 78 LEU N . 50213 4 252 . 2 . 2 79 79 ALA H H 1 7.940 0.000 . 1 . . . . . 79 ALA H . 50213 4 253 . 2 . 2 79 79 ALA C C 13 177.732 0.000 . 1 . . . . . 79 ALA C . 50213 4 254 . 2 . 2 79 79 ALA CA C 13 52.508 0.000 . 1 . . . . . 79 ALA CA . 50213 4 255 . 2 . 2 79 79 ALA CB C 13 18.352 0.000 . 1 . . . . . 79 ALA CB . 50213 4 256 . 2 . 2 79 79 ALA N N 15 123.470 0.000 . 1 . . . . . 79 ALA N . 50213 4 257 . 2 . 2 80 80 LYS H H 1 7.990 0.000 . 1 . . . . . 80 LYS H . 50213 4 258 . 2 . 2 80 80 LYS C C 13 177.478 0.000 . 1 . . . . . 80 LYS C . 50213 4 259 . 2 . 2 80 80 LYS CA C 13 58.539 0.000 . 1 . . . . . 80 LYS CA . 50213 4 260 . 2 . 2 80 80 LYS CB C 13 27.715 0.000 . 1 . . . . . 80 LYS CB . 50213 4 261 . 2 . 2 80 80 LYS N N 15 120.631 0.000 . 1 . . . . . 80 LYS N . 50213 4 262 . 2 . 2 81 81 TYR H H 1 9.184 0.000 . 1 . . . . . 81 TYR H . 50213 4 263 . 2 . 2 81 81 TYR C C 13 175.429 0.000 . 1 . . . . . 81 TYR C . 50213 4 264 . 2 . 2 81 81 TYR CA C 13 60.633 0.000 . 1 . . . . . 81 TYR CA . 50213 4 265 . 2 . 2 81 81 TYR CB C 13 42.929 0.000 . 1 . . . . . 81 TYR CB . 50213 4 266 . 2 . 2 81 81 TYR N N 15 120.802 0.000 . 1 . . . . . 81 TYR N . 50213 4 267 . 2 . 2 82 82 MET H H 1 8.762 0.000 . 1 . . . . . 82 MET H . 50213 4 268 . 2 . 2 82 82 MET C C 13 178.146 0.000 . 1 . . . . . 82 MET C . 50213 4 269 . 2 . 2 82 82 MET CA C 13 58.107 0.000 . 1 . . . . . 82 MET CA . 50213 4 270 . 2 . 2 82 82 MET CB C 13 39.977 0.000 . 1 . . . . . 82 MET CB . 50213 4 271 . 2 . 2 82 82 MET N N 15 122.071 0.000 . 1 . . . . . 82 MET N . 50213 4 272 . 2 . 2 87 87 VAL H H 1 7.823 0.000 . 1 . . . . . 87 VAL H . 50213 4 273 . 2 . 2 87 87 VAL C C 13 178.740 0.000 . 1 . . . . . 87 VAL C . 50213 4 274 . 2 . 2 87 87 VAL CA C 13 66.275 0.000 . 1 . . . . . 87 VAL CA . 50213 4 275 . 2 . 2 87 87 VAL CB C 13 30.553 0.000 . 1 . . . . . 87 VAL CB . 50213 4 276 . 2 . 2 87 87 VAL N N 15 117.527 0.000 . 1 . . . . . 87 VAL N . 50213 4 277 . 2 . 2 88 88 ILE H H 1 8.439 0.000 . 1 . . . . . 88 ILE H . 50213 4 278 . 2 . 2 88 88 ILE C C 13 177.575 0.000 . 1 . . . . . 88 ILE C . 50213 4 279 . 2 . 2 88 88 ILE CA C 13 63.514 0.000 . 1 . . . . . 88 ILE CA . 50213 4 280 . 2 . 2 88 88 ILE CB C 13 34.518 0.000 . 1 . . . . . 88 ILE CB . 50213 4 281 . 2 . 2 88 88 ILE N N 15 121.608 0.000 . 1 . . . . . 88 ILE N . 50213 4 282 . 2 . 2 89 89 SER H H 1 8.523 0.000 . 1 . . . . . 89 SER H . 50213 4 283 . 2 . 2 89 89 SER C C 13 177.536 0.000 . 1 . . . . . 89 SER C . 50213 4 284 . 2 . 2 89 89 SER CA C 13 61.692 0.000 . 1 . . . . . 89 SER CA . 50213 4 285 . 2 . 2 89 89 SER CB C 13 62.281 0.000 . 1 . . . . . 89 SER CB . 50213 4 286 . 2 . 2 89 89 SER N N 15 115.257 0.000 . 1 . . . . . 89 SER N . 50213 4 287 . 2 . 2 90 90 LYS H H 1 7.541 0.000 . 1 . . . . . 90 LYS H . 50213 4 288 . 2 . 2 90 90 LYS C C 13 179.431 0.000 . 1 . . . . . 90 LYS C . 50213 4 289 . 2 . 2 90 90 LYS CA C 13 59.138 0.000 . 1 . . . . . 90 LYS CA . 50213 4 290 . 2 . 2 90 90 LYS CB C 13 31.334 0.000 . 1 . . . . . 90 LYS CB . 50213 4 291 . 2 . 2 90 90 LYS N N 15 119.761 0.000 . 1 . . . . . 90 LYS N . 50213 4 292 . 2 . 2 91 91 ALA H H 1 7.972 0.000 . 1 . . . . . 91 ALA H . 50213 4 293 . 2 . 2 91 91 ALA C C 13 179.949 0.000 . 1 . . . . . 91 ALA C . 50213 4 294 . 2 . 2 91 91 ALA CA C 13 54.460 0.000 . 1 . . . . . 91 ALA CA . 50213 4 295 . 2 . 2 91 91 ALA CB C 13 17.580 0.000 . 1 . . . . . 91 ALA CB . 50213 4 296 . 2 . 2 91 91 ALA N N 15 122.536 0.000 . 1 . . . . . 91 ALA N . 50213 4 297 . 2 . 2 92 92 TYR H H 1 8.760 0.000 . 1 . . . . . 92 TYR H . 50213 4 298 . 2 . 2 92 92 TYR C C 13 176.828 0.000 . 1 . . . . . 92 TYR C . 50213 4 299 . 2 . 2 92 92 TYR CA C 13 60.996 0.000 . 1 . . . . . 92 TYR CA . 50213 4 300 . 2 . 2 92 92 TYR CB C 13 38.381 0.000 . 1 . . . . . 92 TYR CB . 50213 4 301 . 2 . 2 92 92 TYR N N 15 119.798 0.000 . 1 . . . . . 92 TYR N . 50213 4 302 . 2 . 2 93 93 ILE H H 1 8.393 0.000 . 1 . . . . . 93 ILE H . 50213 4 303 . 2 . 2 93 93 ILE C C 13 178.257 0.000 . 1 . . . . . 93 ILE C . 50213 4 304 . 2 . 2 93 93 ILE CA C 13 63.767 0.000 . 1 . . . . . 93 ILE CA . 50213 4 305 . 2 . 2 93 93 ILE CB C 13 36.233 0.000 . 1 . . . . . 93 ILE CB . 50213 4 306 . 2 . 2 93 93 ILE N N 15 118.128 0.000 . 1 . . . . . 93 ILE N . 50213 4 307 . 2 . 2 94 94 SER H H 1 7.738 0.000 . 1 . . . . . 94 SER H . 50213 4 308 . 2 . 2 94 94 SER C C 13 176.086 0.000 . 1 . . . . . 94 SER C . 50213 4 309 . 2 . 2 94 94 SER CA C 13 61.273 0.000 . 1 . . . . . 94 SER CA . 50213 4 310 . 2 . 2 94 94 SER CB C 13 62.516 0.000 . 1 . . . . . 94 SER CB . 50213 4 311 . 2 . 2 94 94 SER N N 15 113.790 0.000 . 1 . . . . . 94 SER N . 50213 4 312 . 2 . 2 95 95 ARG H H 1 7.387 0.000 . 1 . . . . . 95 ARG H . 50213 4 313 . 2 . 2 95 95 ARG C C 13 178.452 0.000 . 1 . . . . . 95 ARG C . 50213 4 314 . 2 . 2 95 95 ARG CA C 13 57.008 0.000 . 1 . . . . . 95 ARG CA . 50213 4 315 . 2 . 2 95 95 ARG CB C 13 28.406 0.000 . 1 . . . . . 95 ARG CB . 50213 4 316 . 2 . 2 95 95 ARG N N 15 120.635 0.000 . 1 . . . . . 95 ARG N . 50213 4 317 . 2 . 2 96 96 ILE H H 1 7.723 0.000 . 1 . . . . . 96 ILE H . 50213 4 318 . 2 . 2 96 96 ILE C C 13 177.823 0.000 . 1 . . . . . 96 ILE C . 50213 4 319 . 2 . 2 96 96 ILE CA C 13 62.591 0.000 . 1 . . . . . 96 ILE CA . 50213 4 320 . 2 . 2 96 96 ILE CB C 13 36.664 0.000 . 1 . . . . . 96 ILE CB . 50213 4 321 . 2 . 2 96 96 ILE N N 15 116.843 0.000 . 1 . . . . . 96 ILE N . 50213 4 322 . 2 . 2 97 97 GLN H H 1 7.936 0.000 . 1 . . . . . 97 GLN H . 50213 4 323 . 2 . 2 97 97 GLN C C 13 176.707 0.000 . 1 . . . . . 97 GLN C . 50213 4 324 . 2 . 2 97 97 GLN CA C 13 57.034 0.000 . 1 . . . . . 97 GLN CA . 50213 4 325 . 2 . 2 97 97 GLN CB C 13 28.078 0.000 . 1 . . . . . 97 GLN CB . 50213 4 326 . 2 . 2 97 97 GLN N N 15 119.772 0.000 . 1 . . . . . 97 GLN N . 50213 4 327 . 2 . 2 98 98 ASN H H 1 7.783 0.000 . 1 . . . . . 98 ASN H . 50213 4 328 . 2 . 2 98 98 ASN C C 13 175.387 0.000 . 1 . . . . . 98 ASN C . 50213 4 329 . 2 . 2 98 98 ASN CA C 13 53.557 0.000 . 1 . . . . . 98 ASN CA . 50213 4 330 . 2 . 2 98 98 ASN CB C 13 38.500 0.000 . 1 . . . . . 98 ASN CB . 50213 4 331 . 2 . 2 98 98 ASN N N 15 117.815 0.000 . 1 . . . . . 98 ASN N . 50213 4 332 . 2 . 2 99 99 ALA H H 1 7.891 0.000 . 1 . . . . . 99 ALA H . 50213 4 333 . 2 . 2 99 99 ALA C C 13 177.956 0.000 . 1 . . . . . 99 ALA C . 50213 4 334 . 2 . 2 99 99 ALA CA C 13 52.856 0.000 . 1 . . . . . 99 ALA CA . 50213 4 335 . 2 . 2 99 99 ALA CB C 13 18.331 0.000 . 1 . . . . . 99 ALA CB . 50213 4 336 . 2 . 2 99 99 ALA N N 15 123.596 0.000 . 1 . . . . . 99 ALA N . 50213 4 337 . 2 . 2 100 100 SER H H 1 7.970 0.000 . 1 . . . . . 100 SER H . 50213 4 338 . 2 . 2 100 100 SER C C 13 174.693 0.000 . 1 . . . . . 100 SER C . 50213 4 339 . 2 . 2 100 100 SER CA C 13 58.328 0.000 . 1 . . . . . 100 SER CA . 50213 4 340 . 2 . 2 100 100 SER CB C 13 63.264 0.000 . 1 . . . . . 100 SER CB . 50213 4 341 . 2 . 2 100 100 SER N N 15 113.952 0.000 . 1 . . . . . 100 SER N . 50213 4 342 . 2 . 2 101 101 ALA H H 1 7.974 0.000 . 1 . . . . . 101 ALA H . 50213 4 343 . 2 . 2 101 101 ALA C C 13 177.825 0.000 . 1 . . . . . 101 ALA C . 50213 4 344 . 2 . 2 101 101 ALA CA C 13 52.912 0.000 . 1 . . . . . 101 ALA CA . 50213 4 345 . 2 . 2 101 101 ALA CB C 13 18.389 0.000 . 1 . . . . . 101 ALA CB . 50213 4 346 . 2 . 2 101 101 ALA N N 15 125.394 0.000 . 1 . . . . . 101 ALA N . 50213 4 347 . 2 . 2 102 102 SER H H 1 7.972 0.000 . 1 . . . . . 102 SER H . 50213 4 348 . 2 . 2 102 102 SER N N 15 113.919 0.000 . 1 . . . . . 102 SER N . 50213 4 349 . 2 . 2 103 103 GLY H H 1 8.044 0.000 . 1 . . . . . 103 GLY H . 50213 4 350 . 2 . 2 103 103 GLY C C 13 173.858 0.000 . 1 . . . . . 103 GLY C . 50213 4 351 . 2 . 2 103 103 GLY CA C 13 45.088 0.000 . 1 . . . . . 103 GLY CA . 50213 4 352 . 2 . 2 103 103 GLY N N 15 110.451 0.000 . 1 . . . . . 103 GLY N . 50213 4 353 . 2 . 2 104 104 GLU H H 1 7.997 0.000 . 1 . . . . . 104 GLU H . 50213 4 354 . 2 . 2 104 104 GLU C C 13 175.382 0.000 . 1 . . . . . 104 GLU C . 50213 4 355 . 2 . 2 104 104 GLU CA C 13 56.339 0.000 . 1 . . . . . 104 GLU CA . 50213 4 356 . 2 . 2 104 104 GLU CB C 13 29.709 0.000 . 1 . . . . . 104 GLU CB . 50213 4 357 . 2 . 2 104 104 GLU N N 15 120.964 0.000 . 1 . . . . . 104 GLU N . 50213 4 358 . 2 . 2 105 105 ILE H H 1 7.445 0.000 . 1 . . . . . 105 ILE H . 50213 4 359 . 2 . 2 105 105 ILE C C 13 180.579 0.000 . 1 . . . . . 105 ILE C . 50213 4 360 . 2 . 2 105 105 ILE CA C 13 62.314 0.000 . 1 . . . . . 105 ILE CA . 50213 4 361 . 2 . 2 105 105 ILE CB C 13 38.957 0.000 . 1 . . . . . 105 ILE CB . 50213 4 362 . 2 . 2 105 105 ILE N N 15 125.063 0.000 . 1 . . . . . 105 ILE N . 50213 4 stop_ save_