data_17135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17135 _Entry.Title ; Mature Drosophila Frataxin Homolog (Dfh) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-18 _Entry.Accession_date 2010-08-18 _Entry.Last_release_date 2014-03-07 _Entry.Original_release_date 2014-03-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Iron chaperone in the FeS cluster assembly pathway.' _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.Entry_ID 1 swati Rawat . . . 17135 2 Timothy Stemmler . L. . 17135 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wayne State University' . 17135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 17135 '15N chemical shifts' 127 17135 '1H chemical shifts' 126 17135 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-07 2010-08-18 original author . 17135 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17135 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone Atom Chemical Shift Assignments for mature Drosophila Frataxin Homolog (Dfh)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 swati Rawat . . . 17135 1 2 Timothy Stemmler . L. . 17135 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Friedreich s Ataxia' 17135 1 'iron chaperone' 17135 1 'Iron sulfur cluster' 17135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17135 _Assembly.ID 1 _Assembly.Name 'Drosophila Frataxin monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Drosophila Frataxin Homolg' 1 $Drosophila_Frataxin_homolg A . yes native no no . . . 17135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Drosophila_Frataxin_homolg _Entity.Sf_category entity _Entity.Sf_framecode Drosophila_Frataxin_homolg _Entity.Entry_ID 17135 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Drosophila_Frataxin_homolg _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 ; MSSQIETESTLDGATYERVC SDTLDALCDYFEELTENASE LQGTDVAYSDGVLTVNLGGQ HGTYVINRQTPNKQIWLSSP TSGPKRYDFVGTVAAGRWIY KHSGQSLHELLQQEIPGILK SQSVDFLRLPYCS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue assignment for mature Dfh (59-190) residues.' _Entity.Polymer_author_seq_details ; After removing the mitochondrial targeting sequence that is initial 58 residues, tha mature protein starts with the 59-190 residues. We have assigned 128 out of 133 residues for mature Dfh. ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 'ORF Names: CG8971' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no EMBL CAC20098 . "dfh [Drosophila melanogaster]" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 2 no GB AAF46449 . "frataxin homolog, isoform A [Drosophila melanogaster]" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 3 no GB AAG35732 . "frataxin-like protein [Drosophila melanogaster]" . . . . . 100.00 147 99.25 99.25 6.31e-92 . . . . 17135 1 4 no GB AAG35733 . "frataxin-like protein [Drosophila melanogaster]" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 5 no GB AAM11002 . "AT09528p [Drosophila melanogaster]" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 6 no GB ACL87329 . "fh-PA, partial [synthetic construct]" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 7 no REF NP_511094 . "frataxin homolog, isoform A [Drosophila melanogaster]" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 8 no REF XP_002043984 . "GM13678 [Drosophila sechellia]" . . . . . 100.00 190 98.50 99.25 1.47e-91 . . . . 17135 1 9 no REF XP_002106519 . "GD16083 [Drosophila simulans]" . . . . . 100.00 190 98.50 99.25 1.02e-91 . . . . 17135 1 10 no SP Q9W385 . "RecName: Full=Frataxin homolog, mitochondrial; Short=Dfh; Flags: Precursor" . . . . . 100.00 190 99.25 99.25 8.69e-92 . . . . 17135 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Promotes the biosynthesis of heme as well as the assembly and repair of iron-sulfur clusters by delivering Fe2+ to proteins involved in these pathways. It also plays a primary role in the protection against oxidative stress through its ability to catalyze the oxidation of Fe2+ to Fe3+ and to store large amounts of the metal in the form of a ferrihydrite mineral ; 17135 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17135 1 2 . SER . 17135 1 3 . SER . 17135 1 4 . GLN . 17135 1 5 . ILE . 17135 1 6 . GLU . 17135 1 7 . THR . 17135 1 8 . GLU . 17135 1 9 . SER . 17135 1 10 . THR . 17135 1 11 . LEU . 17135 1 12 . ASP . 17135 1 13 . GLY . 17135 1 14 . ALA . 17135 1 15 . THR . 17135 1 16 . TYR . 17135 1 17 . GLU . 17135 1 18 . ARG . 17135 1 19 . VAL . 17135 1 20 . CYS . 17135 1 21 . SER . 17135 1 22 . ASP . 17135 1 23 . THR . 17135 1 24 . LEU . 17135 1 25 . ASP . 17135 1 26 . ALA . 17135 1 27 . LEU . 17135 1 28 . CYS . 17135 1 29 . ASP . 17135 1 30 . TYR . 17135 1 31 . PHE . 17135 1 32 . GLU . 17135 1 33 . GLU . 17135 1 34 . LEU . 17135 1 35 . THR . 17135 1 36 . GLU . 17135 1 37 . ASN . 17135 1 38 . ALA . 17135 1 39 . SER . 17135 1 40 . GLU . 17135 1 41 . LEU . 17135 1 42 . GLN . 17135 1 43 . GLY . 17135 1 44 . THR . 17135 1 45 . ASP . 17135 1 46 . VAL . 17135 1 47 . ALA . 17135 1 48 . TYR . 17135 1 49 . SER . 17135 1 50 . ASP . 17135 1 51 . GLY . 17135 1 52 . VAL . 17135 1 53 . LEU . 17135 1 54 . THR . 17135 1 55 . VAL . 17135 1 56 . ASN . 17135 1 57 . LEU . 17135 1 58 . GLY . 17135 1 59 . GLY . 17135 1 60 . GLN . 17135 1 61 . HIS . 17135 1 62 . GLY . 17135 1 63 . THR . 17135 1 64 . TYR . 17135 1 65 . VAL . 17135 1 66 . ILE . 17135 1 67 . ASN . 17135 1 68 . ARG . 17135 1 69 . GLN . 17135 1 70 . THR . 17135 1 71 . PRO . 17135 1 72 . ASN . 17135 1 73 . LYS . 17135 1 74 . GLN . 17135 1 75 . ILE . 17135 1 76 . TRP . 17135 1 77 . LEU . 17135 1 78 . SER . 17135 1 79 . SER . 17135 1 80 . PRO . 17135 1 81 . THR . 17135 1 82 . SER . 17135 1 83 . GLY . 17135 1 84 . PRO . 17135 1 85 . LYS . 17135 1 86 . ARG . 17135 1 87 . TYR . 17135 1 88 . ASP . 17135 1 89 . PHE . 17135 1 90 . VAL . 17135 1 91 . GLY . 17135 1 92 . THR . 17135 1 93 . VAL . 17135 1 94 . ALA . 17135 1 95 . ALA . 17135 1 96 . GLY . 17135 1 97 . ARG . 17135 1 98 . TRP . 17135 1 99 . ILE . 17135 1 100 . TYR . 17135 1 101 . LYS . 17135 1 102 . HIS . 17135 1 103 . SER . 17135 1 104 . GLY . 17135 1 105 . GLN . 17135 1 106 . SER . 17135 1 107 . LEU . 17135 1 108 . HIS . 17135 1 109 . GLU . 17135 1 110 . LEU . 17135 1 111 . LEU . 17135 1 112 . GLN . 17135 1 113 . GLN . 17135 1 114 . GLU . 17135 1 115 . ILE . 17135 1 116 . PRO . 17135 1 117 . GLY . 17135 1 118 . ILE . 17135 1 119 . LEU . 17135 1 120 . LYS . 17135 1 121 . SER . 17135 1 122 . GLN . 17135 1 123 . SER . 17135 1 124 . VAL . 17135 1 125 . ASP . 17135 1 126 . PHE . 17135 1 127 . LEU . 17135 1 128 . ARG . 17135 1 129 . LEU . 17135 1 130 . PRO . 17135 1 131 . TYR . 17135 1 132 . CYS . 17135 1 133 . SER . 17135 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 17135 1 . SER 2 2 17135 1 . SER 3 3 17135 1 . GLN 4 4 17135 1 . ILE 5 5 17135 1 . GLU 6 6 17135 1 . THR 7 7 17135 1 . GLU 8 8 17135 1 . SER 9 9 17135 1 . THR 10 10 17135 1 . LEU 11 11 17135 1 . ASP 12 12 17135 1 . GLY 13 13 17135 1 . ALA 14 14 17135 1 . THR 15 15 17135 1 . TYR 16 16 17135 1 . GLU 17 17 17135 1 . ARG 18 18 17135 1 . VAL 19 19 17135 1 . CYS 20 20 17135 1 . SER 21 21 17135 1 . ASP 22 22 17135 1 . THR 23 23 17135 1 . LEU 24 24 17135 1 . ASP 25 25 17135 1 . ALA 26 26 17135 1 . LEU 27 27 17135 1 . CYS 28 28 17135 1 . ASP 29 29 17135 1 . TYR 30 30 17135 1 . PHE 31 31 17135 1 . GLU 32 32 17135 1 . GLU 33 33 17135 1 . LEU 34 34 17135 1 . THR 35 35 17135 1 . GLU 36 36 17135 1 . ASN 37 37 17135 1 . ALA 38 38 17135 1 . SER 39 39 17135 1 . GLU 40 40 17135 1 . LEU 41 41 17135 1 . GLN 42 42 17135 1 . GLY 43 43 17135 1 . THR 44 44 17135 1 . ASP 45 45 17135 1 . VAL 46 46 17135 1 . ALA 47 47 17135 1 . TYR 48 48 17135 1 . SER 49 49 17135 1 . ASP 50 50 17135 1 . GLY 51 51 17135 1 . VAL 52 52 17135 1 . LEU 53 53 17135 1 . THR 54 54 17135 1 . VAL 55 55 17135 1 . ASN 56 56 17135 1 . LEU 57 57 17135 1 . GLY 58 58 17135 1 . GLY 59 59 17135 1 . GLN 60 60 17135 1 . HIS 61 61 17135 1 . GLY 62 62 17135 1 . THR 63 63 17135 1 . TYR 64 64 17135 1 . VAL 65 65 17135 1 . ILE 66 66 17135 1 . ASN 67 67 17135 1 . ARG 68 68 17135 1 . GLN 69 69 17135 1 . THR 70 70 17135 1 . PRO 71 71 17135 1 . ASN 72 72 17135 1 . LYS 73 73 17135 1 . GLN 74 74 17135 1 . ILE 75 75 17135 1 . TRP 76 76 17135 1 . LEU 77 77 17135 1 . SER 78 78 17135 1 . SER 79 79 17135 1 . PRO 80 80 17135 1 . THR 81 81 17135 1 . SER 82 82 17135 1 . GLY 83 83 17135 1 . PRO 84 84 17135 1 . LYS 85 85 17135 1 . ARG 86 86 17135 1 . TYR 87 87 17135 1 . ASP 88 88 17135 1 . PHE 89 89 17135 1 . VAL 90 90 17135 1 . GLY 91 91 17135 1 . THR 92 92 17135 1 . VAL 93 93 17135 1 . ALA 94 94 17135 1 . ALA 95 95 17135 1 . GLY 96 96 17135 1 . ARG 97 97 17135 1 . TRP 98 98 17135 1 . ILE 99 99 17135 1 . TYR 100 100 17135 1 . LYS 101 101 17135 1 . HIS 102 102 17135 1 . SER 103 103 17135 1 . GLY 104 104 17135 1 . GLN 105 105 17135 1 . SER 106 106 17135 1 . LEU 107 107 17135 1 . HIS 108 108 17135 1 . GLU 109 109 17135 1 . LEU 110 110 17135 1 . LEU 111 111 17135 1 . GLN 112 112 17135 1 . GLN 113 113 17135 1 . GLU 114 114 17135 1 . ILE 115 115 17135 1 . PRO 116 116 17135 1 . GLY 117 117 17135 1 . ILE 118 118 17135 1 . LEU 119 119 17135 1 . LYS 120 120 17135 1 . SER 121 121 17135 1 . GLN 122 122 17135 1 . SER 123 123 17135 1 . VAL 124 124 17135 1 . ASP 125 125 17135 1 . PHE 126 126 17135 1 . LEU 127 127 17135 1 . ARG 128 128 17135 1 . LEU 129 129 17135 1 . PRO 130 130 17135 1 . TYR 131 131 17135 1 . CYS 132 132 17135 1 . SER 133 133 17135 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17135 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Drosophila_Frataxin_homolg . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . fh . ; ORF Names: CG8971 Taxonomic identifier: 7227 (NCBI) ; . . 17135 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17135 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Drosophila_Frataxin_homolg . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET101/TOPO . . . 'We cloned only the mature form of frataxin from residues 59-190.' . . 17135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17135 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 17135 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17135 1 3 'Drosophila Frataxin' '[U-13C; U-15N]' . . 1 $Drosophila_Frataxin_homolg . . 1 . . mM . . . . 17135 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17135 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17135 1 stop_ save_ ####################### # Sample conditions # ####################### save_Sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_conditions _Sample_condition_list.Entry_ID 17135 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample is in 20mM Hepes,150mM NaCl' 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 7.5 . pH 17135 1 pressure 1 . atm 17135 1 temperature 300 . K 17135 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17135 _Software.ID 1 _Software.Name NMRView _Software.Version J _Software.Details 'I used NMRViewJ version which is for Mac Osx' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17135 1 'Johnson, One Moon Scientific' . . 17135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17135 1 processing 17135 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17135 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17135 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17135 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17135 1 2 spectrometer_2 Varian UnityPlus . 720 . . . 17135 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17135 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17135 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17135 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17135 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17135 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17135 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17135 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17135 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17135 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17135 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17135 1 3 '3D HNCACB' . . . 17135 1 4 '3D CBCA(CO)NH' . . . 17135 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 53.667 . . 1 . . . . 1 MET CA . 17135 1 2 . 1 1 1 1 MET CB C 13 31.887 . . 1 . . . . 1 MET CB . 17135 1 3 . 1 1 1 1 MET N N 15 111.302 . . 1 . . . . 1 MET N . 17135 1 4 . 1 1 2 2 SER H H 1 6.263 . . 1 . . . . 2 SER HN . 17135 1 5 . 1 1 2 2 SER CB C 13 61.894 . . 1 . . . . 2 SER CB . 17135 1 6 . 1 1 2 2 SER N N 15 108.267 . . 1 . . . . 2 SER N . 17135 1 7 . 1 1 3 3 SER H H 1 7.862 . . 1 . . . . 3 SER HN . 17135 1 8 . 1 1 3 3 SER CA C 13 59.065 . . 1 . . . . 3 SER CA . 17135 1 9 . 1 1 3 3 SER CB C 13 63.583 . . 1 . . . . 3 SER CB . 17135 1 10 . 1 1 3 3 SER N N 15 115.295 . . 1 . . . . 3 SER N . 17135 1 11 . 1 1 4 4 GLN H H 1 8.365 . . 1 . . . . 4 GLN HN . 17135 1 12 . 1 1 4 4 GLN CA C 13 55.965 . . 1 . . . . 4 GLN CA . 17135 1 13 . 1 1 4 4 GLN CB C 13 29.375 . . 1 . . . . 4 GLN CB . 17135 1 14 . 1 1 4 4 GLN N N 15 122.119 . . 1 . . . . 4 GLN N . 17135 1 15 . 1 1 5 5 ILE H H 1 8.137 . . 1 . . . . 5 ILE HN . 17135 1 16 . 1 1 5 5 ILE CA C 13 61.272 . . 1 . . . . 5 ILE CA . 17135 1 17 . 1 1 5 5 ILE CB C 13 38.790 . . 1 . . . . 5 ILE CB . 17135 1 18 . 1 1 5 5 ILE N N 15 121.785 . . 1 . . . . 5 ILE N . 17135 1 19 . 1 1 6 6 GLU H H 1 8.474 . . 1 . . . . 6 GLU HN . 17135 1 20 . 1 1 6 6 GLU CA C 13 56.622 . . 1 . . . . 6 GLU CA . 17135 1 21 . 1 1 6 6 GLU CB C 13 30.281 . . 1 . . . . 6 GLU CB . 17135 1 22 . 1 1 6 6 GLU N N 15 125.173 . . 1 . . . . 6 GLU N . 17135 1 23 . 1 1 7 7 THR H H 1 8.152 . . 1 . . . . 7 THR HN . 17135 1 24 . 1 1 7 7 THR CA C 13 61.872 . . 1 . . . . 7 THR CA . 17135 1 25 . 1 1 7 7 THR CB C 13 69.903 . . 1 . . . . 7 THR CB . 17135 1 26 . 1 1 7 7 THR N N 15 115.226 . . 1 . . . . 7 THR N . 17135 1 27 . 1 1 8 8 GLU H H 1 8.410 . . 1 . . . . 8 GLU HN . 17135 1 28 . 1 1 8 8 GLU CA C 13 56.545 . . 1 . . . . 8 GLU CA . 17135 1 29 . 1 1 8 8 GLU CB C 13 30.570 . . 1 . . . . 8 GLU CB . 17135 1 30 . 1 1 8 8 GLU N N 15 123.267 . . 1 . . . . 8 GLU N . 17135 1 31 . 1 1 9 9 SER H H 1 8.419 . . 1 . . . . 9 SER HN . 17135 1 32 . 1 1 9 9 SER CA C 13 58.269 . . 1 . . . . 9 SER CA . 17135 1 33 . 1 1 9 9 SER CB C 13 64.042 . . 1 . . . . 9 SER CB . 17135 1 34 . 1 1 9 9 SER N N 15 117.264 . . 1 . . . . 9 SER N . 17135 1 35 . 1 1 10 10 THR H H 1 8.363 . . 1 . . . . 10 THR HN . 17135 1 36 . 1 1 10 10 THR CA C 13 61.742 . . 1 . . . . 10 THR CA . 17135 1 37 . 1 1 10 10 THR CB C 13 69.922 . . 1 . . . . 10 THR CB . 17135 1 38 . 1 1 10 10 THR N N 15 116.767 . . 1 . . . . 10 THR N . 17135 1 39 . 1 1 11 11 LEU H H 1 8.250 . . 1 . . . . 11 LEU HN . 17135 1 40 . 1 1 11 11 LEU CA C 13 54.907 . . 1 . . . . 11 LEU CA . 17135 1 41 . 1 1 11 11 LEU CB C 13 43.656 . . 1 . . . . 11 LEU CB . 17135 1 42 . 1 1 11 11 LEU N N 15 124.394 . . 1 . . . . 11 LEU N . 17135 1 43 . 1 1 12 12 ASP H H 1 8.112 . . 1 . . . . 12 ASP HN . 17135 1 44 . 1 1 12 12 ASP CA C 13 52.721 . . 1 . . . . 12 ASP CA . 17135 1 45 . 1 1 12 12 ASP CB C 13 41.662 . . 1 . . . . 12 ASP CB . 17135 1 46 . 1 1 12 12 ASP N N 15 122.135 . . 1 . . . . 12 ASP N . 17135 1 47 . 1 1 13 13 GLY H H 1 8.839 . . 1 . . . . 13 GLY HN . 17135 1 48 . 1 1 13 13 GLY CA C 13 48.213 . . 1 . . . . 13 GLY CA . 17135 1 49 . 1 1 13 13 GLY N N 15 108.200 . . 1 . . . . 13 GLY N . 17135 1 50 . 1 1 14 14 ALA H H 1 8.409 . . 1 . . . . 14 ALA HN . 17135 1 51 . 1 1 14 14 ALA CA C 13 55.064 . . 1 . . . . 14 ALA CA . 17135 1 52 . 1 1 14 14 ALA CB C 13 18.160 . . 1 . . . . 14 ALA CB . 17135 1 53 . 1 1 14 14 ALA N N 15 124.365 . . 1 . . . . 14 ALA N . 17135 1 54 . 1 1 15 15 THR H H 1 8.420 . . 1 . . . . 15 THR HN . 17135 1 55 . 1 1 15 15 THR CA C 13 65.294 . . 1 . . . . 15 THR CA . 17135 1 56 . 1 1 15 15 THR CB C 13 67.399 . . 1 . . . . 15 THR CB . 17135 1 57 . 1 1 15 15 THR N N 15 117.224 . . 1 . . . . 15 THR N . 17135 1 58 . 1 1 16 16 TYR H H 1 8.545 . . 1 . . . . 16 TYR HN . 17135 1 59 . 1 1 16 16 TYR CA C 13 61.955 . . 1 . . . . 16 TYR CA . 17135 1 60 . 1 1 16 16 TYR CB C 13 37.508 . . 1 . . . . 16 TYR CB . 17135 1 61 . 1 1 16 16 TYR N N 15 121.035 . . 1 . . . . 16 TYR N . 17135 1 62 . 1 1 17 17 GLU H H 1 8.109 . . 1 . . . . 17 GLU HN . 17135 1 63 . 1 1 17 17 GLU CA C 13 60.347 . . 1 . . . . 17 GLU CA . 17135 1 64 . 1 1 17 17 GLU CB C 13 31.634 . . 1 . . . . 17 GLU CB . 17135 1 65 . 1 1 17 17 GLU N N 15 118.164 . . 1 . . . . 17 GLU N . 17135 1 66 . 1 1 18 18 ARG H H 1 7.525 . . 1 . . . . 18 ARG HN . 17135 1 67 . 1 1 18 18 ARG CA C 13 57.820 . . 1 . . . . 18 ARG CA . 17135 1 68 . 1 1 18 18 ARG CB C 13 29.301 . . 1 . . . . 18 ARG CB . 17135 1 69 . 1 1 18 18 ARG N N 15 111.598 . . 1 . . . . 18 ARG N . 17135 1 70 . 1 1 19 19 VAL H H 1 7.942 . . 1 . . . . 19 VAL HN . 17135 1 71 . 1 1 19 19 VAL CA C 13 59.049 . . 1 . . . . 19 VAL CA . 17135 1 72 . 1 1 19 19 VAL CB C 13 31.973 . . 1 . . . . 19 VAL CB . 17135 1 73 . 1 1 19 19 VAL N N 15 116.155 . . 1 . . . . 19 VAL N . 17135 1 74 . 1 1 20 20 CYS H H 1 8.669 . . 1 . . . . 20 CYS HN . 17135 1 75 . 1 1 20 20 CYS CA C 13 62.996 . . 1 . . . . 20 CYS CA . 17135 1 76 . 1 1 20 20 CYS CB C 13 28.851 . . 1 . . . . 20 CYS CB . 17135 1 77 . 1 1 20 20 CYS N N 15 118.094 . . 1 . . . . 20 CYS N . 17135 1 78 . 1 1 21 21 SER H H 1 8.316 . . 1 . . . . 21 SER HN . 17135 1 79 . 1 1 21 21 SER CA C 13 58.526 . . 1 . . . . 21 SER CA . 17135 1 80 . 1 1 21 21 SER CB C 13 63.989 . . 1 . . . . 21 SER CB . 17135 1 81 . 1 1 21 21 SER N N 15 121.579 . . 1 . . . . 21 SER N . 17135 1 82 . 1 1 22 22 ASP H H 1 8.481 . . 1 . . . . 22 ASP HN . 17135 1 83 . 1 1 22 22 ASP CA C 13 55.960 . . 1 . . . . 22 ASP CA . 17135 1 84 . 1 1 22 22 ASP CB C 13 41.511 . . 1 . . . . 22 ASP CB . 17135 1 85 . 1 1 22 22 ASP N N 15 122.273 . . 1 . . . . 22 ASP N . 17135 1 86 . 1 1 23 23 THR H H 1 7.384 . . 1 . . . . 23 THR HN . 17135 1 87 . 1 1 23 23 THR CA C 13 65.188 . . 1 . . . . 23 THR CA . 17135 1 88 . 1 1 23 23 THR CB C 13 70.252 . . 1 . . . . 23 THR CB . 17135 1 89 . 1 1 23 23 THR N N 15 110.842 . . 1 . . . . 23 THR N . 17135 1 90 . 1 1 24 24 LEU H H 1 9.019 . . 1 . . . . 24 LEU HN . 17135 1 91 . 1 1 24 24 LEU CA C 13 57.904 . . 1 . . . . 24 LEU CA . 17135 1 92 . 1 1 24 24 LEU CB C 13 41.531 . . 1 . . . . 24 LEU CB . 17135 1 93 . 1 1 24 24 LEU N N 15 125.294 . . 1 . . . . 24 LEU N . 17135 1 94 . 1 1 25 25 ASP H H 1 9.236 . . 1 . . . . 25 ASP HN . 17135 1 95 . 1 1 25 25 ASP CA C 13 57.404 . . 1 . . . . 25 ASP CA . 17135 1 96 . 1 1 25 25 ASP CB C 13 40.176 . . 1 . . . . 25 ASP CB . 17135 1 97 . 1 1 25 25 ASP N N 15 120.709 . . 1 . . . . 25 ASP N . 17135 1 98 . 1 1 26 26 ALA H H 1 6.974 . . 1 . . . . 26 ALA HN . 17135 1 99 . 1 1 26 26 ALA CA C 13 54.214 . . 1 . . . . 26 ALA CA . 17135 1 100 . 1 1 26 26 ALA CB C 13 19.318 . . 1 . . . . 26 ALA CB . 17135 1 101 . 1 1 26 26 ALA N N 15 118.168 . . 1 . . . . 26 ALA N . 17135 1 102 . 1 1 27 27 LEU H H 1 7.514 . . 1 . . . . 27 LEU HN . 17135 1 103 . 1 1 27 27 LEU CA C 13 58.261 . . 1 . . . . 27 LEU CA . 17135 1 104 . 1 1 27 27 LEU CB C 13 42.778 . . 1 . . . . 27 LEU CB . 17135 1 105 . 1 1 27 27 LEU N N 15 118.928 . . 1 . . . . 27 LEU N . 17135 1 106 . 1 1 28 28 CYS H H 1 8.610 . . 1 . . . . 28 CYS HN . 17135 1 107 . 1 1 28 28 CYS CA C 13 63.070 . . 1 . . . . 28 CYS CA . 17135 1 108 . 1 1 28 28 CYS CB C 13 42.765 . . 1 . . . . 28 CYS CB . 17135 1 109 . 1 1 28 28 CYS N N 15 120.590 . . 1 . . . . 28 CYS N . 17135 1 110 . 1 1 29 29 ASP H H 1 7.838 . . 1 . . . . 29 ASP HN . 17135 1 111 . 1 1 29 29 ASP CA C 13 57.390 . . 1 . . . . 29 ASP CA . 17135 1 112 . 1 1 29 29 ASP CB C 13 40.714 . . 1 . . . . 29 ASP CB . 17135 1 113 . 1 1 29 29 ASP N N 15 117.515 . . 1 . . . . 29 ASP N . 17135 1 114 . 1 1 30 30 TYR H H 1 8.208 . . 1 . . . . 30 TYR HN . 17135 1 115 . 1 1 30 30 TYR CA C 13 59.883 . . 1 . . . . 30 TYR CA . 17135 1 116 . 1 1 30 30 TYR CB C 13 39.051 . . 1 . . . . 30 TYR CB . 17135 1 117 . 1 1 30 30 TYR N N 15 119.596 . . 1 . . . . 30 TYR N . 17135 1 118 . 1 1 31 31 PHE H H 1 8.882 . . 1 . . . . 31 PHE HN . 17135 1 119 . 1 1 31 31 PHE CA C 13 63.730 . . 1 . . . . 31 PHE CA . 17135 1 120 . 1 1 31 31 PHE CB C 13 38.481 . . 1 . . . . 31 PHE CB . 17135 1 121 . 1 1 31 31 PHE N N 15 116.418 . . 1 . . . . 31 PHE N . 17135 1 122 . 1 1 32 32 GLU H H 1 9.630 . . 1 . . . . 32 GLU HN . 17135 1 123 . 1 1 32 32 GLU CA C 13 60.669 . . 1 . . . . 32 GLU CA . 17135 1 124 . 1 1 32 32 GLU CB C 13 29.590 . . 1 . . . . 32 GLU CB . 17135 1 125 . 1 1 32 32 GLU N N 15 130.533 . . 1 . . . . 32 GLU N . 17135 1 126 . 1 1 33 33 GLU H H 1 7.613 . . 1 . . . . 33 GLU HN . 17135 1 127 . 1 1 33 33 GLU CA C 13 59.570 . . 1 . . . . 33 GLU CA . 17135 1 128 . 1 1 33 33 GLU CB C 13 29.601 . . 1 . . . . 33 GLU CB . 17135 1 129 . 1 1 33 33 GLU N N 15 120.848 . . 1 . . . . 33 GLU N . 17135 1 130 . 1 1 34 34 LEU H H 1 8.480 . . 1 . . . . 34 LEU HN . 17135 1 131 . 1 1 34 34 LEU CA C 13 57.219 . . 1 . . . . 34 LEU CA . 17135 1 132 . 1 1 34 34 LEU CB C 13 43.050 . . 1 . . . . 34 LEU CB . 17135 1 133 . 1 1 34 34 LEU N N 15 117.329 . . 1 . . . . 34 LEU N . 17135 1 134 . 1 1 35 35 THR H H 1 7.918 . . 1 . . . . 35 THR HN . 17135 1 135 . 1 1 35 35 THR CA C 13 64.641 . . 1 . . . . 35 THR CA . 17135 1 136 . 1 1 35 35 THR CB C 13 68.997 . . 1 . . . . 35 THR CB . 17135 1 137 . 1 1 35 35 THR N N 15 106.012 . . 1 . . . . 35 THR N . 17135 1 138 . 1 1 36 36 GLU H H 1 7.937 . . 1 . . . . 36 GLU HN . 17135 1 139 . 1 1 36 36 GLU CA C 13 58.951 . . 1 . . . . 36 GLU CA . 17135 1 140 . 1 1 36 36 GLU CB C 13 29.355 . . 1 . . . . 36 GLU CB . 17135 1 141 . 1 1 36 36 GLU N N 15 123.221 . . 1 . . . . 36 GLU N . 17135 1 142 . 1 1 37 37 ASN H H 1 7.483 . . 1 . . . . 37 ASN HN . 17135 1 143 . 1 1 37 37 ASN CA C 13 53.523 . . 1 . . . . 37 ASN CA . 17135 1 144 . 1 1 37 37 ASN CB C 13 39.616 . . 1 . . . . 37 ASN CB . 17135 1 145 . 1 1 37 37 ASN N N 15 114.247 . . 1 . . . . 37 ASN N . 17135 1 146 . 1 1 38 38 ALA H H 1 7.289 . . 1 . . . . 38 ALA HN . 17135 1 147 . 1 1 38 38 ALA CA C 13 51.631 . . 1 . . . . 38 ALA CA . 17135 1 148 . 1 1 38 38 ALA CB C 13 18.052 . . 1 . . . . 38 ALA CB . 17135 1 149 . 1 1 38 38 ALA N N 15 124.312 . . 1 . . . . 38 ALA N . 17135 1 150 . 1 1 39 39 SER H H 1 8.072 . . 1 . . . . 39 SER HN . 17135 1 151 . 1 1 39 39 SER CA C 13 60.270 . . 1 . . . . 39 SER CA . 17135 1 152 . 1 1 39 39 SER CB C 13 63.279 . . 1 . . . . 39 SER CB . 17135 1 153 . 1 1 39 39 SER N N 15 118.647 . . 1 . . . . 39 SER N . 17135 1 154 . 1 1 40 40 GLU H H 1 9.507 . . 1 . . . . 40 GLU HN . 17135 1 155 . 1 1 40 40 GLU CA C 13 57.607 . . 1 . . . . 40 GLU CA . 17135 1 156 . 1 1 40 40 GLU CB C 13 29.104 . . 1 . . . . 40 GLU CB . 17135 1 157 . 1 1 40 40 GLU N N 15 120.416 . . 1 . . . . 40 GLU N . 17135 1 158 . 1 1 41 41 LEU H H 1 7.495 . . 1 . . . . 41 LEU HN . 17135 1 159 . 1 1 41 41 LEU CA C 13 53.938 . . 1 . . . . 41 LEU CA . 17135 1 160 . 1 1 41 41 LEU CB C 13 42.654 . . 1 . . . . 41 LEU CB . 17135 1 161 . 1 1 41 41 LEU N N 15 120.637 . . 1 . . . . 41 LEU N . 17135 1 162 . 1 1 42 42 GLN H H 1 8.392 . . 1 . . . . 42 GLN HN . 17135 1 163 . 1 1 42 42 GLN CA C 13 55.442 . . 1 . . . . 42 GLN CA . 17135 1 164 . 1 1 42 42 GLN CB C 13 30.475 . . 1 . . . . 42 GLN CB . 17135 1 165 . 1 1 42 42 GLN N N 15 120.865 . . 1 . . . . 42 GLN N . 17135 1 166 . 1 1 43 43 GLY H H 1 8.742 . . 1 . . . . 43 GLY HN . 17135 1 167 . 1 1 43 43 GLY CA C 13 46.379 . . 1 . . . . 43 GLY CA . 17135 1 168 . 1 1 43 43 GLY N N 15 110.536 . . 1 . . . . 43 GLY N . 17135 1 169 . 1 1 44 44 THR H H 1 7.466 . . 1 . . . . 44 THR HN . 17135 1 170 . 1 1 44 44 THR CA C 13 60.756 . . 1 . . . . 44 THR CA . 17135 1 171 . 1 1 44 44 THR CB C 13 70.909 . . 1 . . . . 44 THR CB . 17135 1 172 . 1 1 44 44 THR N N 15 109.925 . . 1 . . . . 44 THR N . 17135 1 173 . 1 1 45 45 ASP H H 1 8.720 . . 1 . . . . 45 ASP HN . 17135 1 174 . 1 1 45 45 ASP CA C 13 55.297 . . 1 . . . . 45 ASP CA . 17135 1 175 . 1 1 45 45 ASP CB C 13 44.931 . . 1 . . . . 45 ASP CB . 17135 1 176 . 1 1 45 45 ASP N N 15 119.264 . . 1 . . . . 45 ASP N . 17135 1 177 . 1 1 46 46 VAL H H 1 8.378 . . 1 . . . . 46 VAL HN . 17135 1 178 . 1 1 46 46 VAL CA C 13 61.781 . . 1 . . . . 46 VAL CA . 17135 1 179 . 1 1 46 46 VAL CB C 13 33.607 . . 1 . . . . 46 VAL CB . 17135 1 180 . 1 1 46 46 VAL N N 15 125.154 . . 1 . . . . 46 VAL N . 17135 1 181 . 1 1 47 47 ALA H H 1 8.964 . . 1 . . . . 47 ALA HN . 17135 1 182 . 1 1 47 47 ALA CA C 13 50.868 . . 1 . . . . 47 ALA CA . 17135 1 183 . 1 1 47 47 ALA CB C 13 22.059 . . 1 . . . . 47 ALA CB . 17135 1 184 . 1 1 47 47 ALA N N 15 131.696 . . 1 . . . . 47 ALA N . 17135 1 185 . 1 1 48 48 TYR H H 1 8.686 . . 1 . . . . 48 TYR HN . 17135 1 186 . 1 1 48 48 TYR CA C 13 54.273 . . 1 . . . . 48 TYR CA . 17135 1 187 . 1 1 48 48 TYR CB C 13 41.245 . . 1 . . . . 48 TYR CB . 17135 1 188 . 1 1 48 48 TYR N N 15 123.841 . . 1 . . . . 48 TYR N . 17135 1 189 . 1 1 49 49 SER H H 1 8.203 . . 1 . . . . 49 SER HN . 17135 1 190 . 1 1 49 49 SER CA C 13 57.771 . . 1 . . . . 49 SER CA . 17135 1 191 . 1 1 49 49 SER CB C 13 64.410 . . 1 . . . . 49 SER CB . 17135 1 192 . 1 1 49 49 SER N N 15 120.737 . . 1 . . . . 49 SER N . 17135 1 193 . 1 1 50 50 ASP H H 1 7.546 . . 1 . . . . 50 ASP HN . 17135 1 194 . 1 1 50 50 ASP CA C 13 55.369 . . 1 . . . . 50 ASP CA . 17135 1 195 . 1 1 50 50 ASP CB C 13 43.409 . . 1 . . . . 50 ASP CB . 17135 1 196 . 1 1 50 50 ASP N N 15 121.919 . . 1 . . . . 50 ASP N . 17135 1 197 . 1 1 51 51 GLY CA C 13 45.771 . . 1 . . . . 51 GLY CA . 17135 1 198 . 1 1 52 52 VAL H H 1 7.842 . . 1 . . . . 52 VAL HN . 17135 1 199 . 1 1 52 52 VAL CA C 13 62.285 . . 1 . . . . 52 VAL CA . 17135 1 200 . 1 1 52 52 VAL CB C 13 33.087 . . 1 . . . . 52 VAL CB . 17135 1 201 . 1 1 52 52 VAL N N 15 119.473 . . 1 . . . . 52 VAL N . 17135 1 202 . 1 1 53 53 LEU H H 1 9.564 . . 1 . . . . 53 LEU HN . 17135 1 203 . 1 1 53 53 LEU CA C 13 53.534 . . 1 . . . . 53 LEU CA . 17135 1 204 . 1 1 53 53 LEU CB C 13 43.877 . . 1 . . . . 53 LEU CB . 17135 1 205 . 1 1 53 53 LEU N N 15 133.416 . . 1 . . . . 53 LEU N . 17135 1 206 . 1 1 54 54 THR H H 1 9.452 . . 1 . . . . 54 THR HN . 17135 1 207 . 1 1 54 54 THR CA C 13 61.585 . . 1 . . . . 54 THR CA . 17135 1 208 . 1 1 54 54 THR CB C 13 65.693 . . 1 . . . . 54 THR CB . 17135 1 209 . 1 1 54 54 THR N N 15 123.695 . . 1 . . . . 54 THR N . 17135 1 210 . 1 1 55 55 VAL H H 1 9.222 . . 1 . . . . 55 VAL HN . 17135 1 211 . 1 1 55 55 VAL CA C 13 60.835 . . 1 . . . . 55 VAL CA . 17135 1 212 . 1 1 55 55 VAL CB C 13 33.208 . . 1 . . . . 55 VAL CB . 17135 1 213 . 1 1 55 55 VAL N N 15 127.401 . . 1 . . . . 55 VAL N . 17135 1 214 . 1 1 56 56 ASN H H 1 9.136 . . 1 . . . . 56 ASN HN . 17135 1 215 . 1 1 56 56 ASN CA C 13 52.438 . . 1 . . . . 56 ASN CA . 17135 1 216 . 1 1 56 56 ASN CB C 13 39.128 . . 1 . . . . 56 ASN CB . 17135 1 217 . 1 1 56 56 ASN N N 15 127.097 . . 1 . . . . 56 ASN N . 17135 1 218 . 1 1 57 57 LEU H H 1 8.631 . . 1 . . . . 57 LEU HN . 17135 1 219 . 1 1 57 57 LEU CA C 13 54.771 . . 1 . . . . 57 LEU CA . 17135 1 220 . 1 1 57 57 LEU CB C 13 41.434 . . 1 . . . . 57 LEU CB . 17135 1 221 . 1 1 57 57 LEU N N 15 124.818 . . 1 . . . . 57 LEU N . 17135 1 222 . 1 1 58 58 GLY H H 1 8.252 . . 1 . . . . 58 GLY HN . 17135 1 223 . 1 1 58 58 GLY CA C 13 44.300 . . 1 . . . . 58 GLY CA . 17135 1 224 . 1 1 58 58 GLY N N 15 106.228 . . 1 . . . . 58 GLY N . 17135 1 225 . 1 1 59 59 GLY H H 1 8.450 . . 1 . . . . 59 GLY HN . 17135 1 226 . 1 1 59 59 GLY CA C 13 47.236 . . 1 . . . . 59 GLY CA . 17135 1 227 . 1 1 59 59 GLY N N 15 106.030 . . 1 . . . . 59 GLY N . 17135 1 228 . 1 1 60 60 GLN H H 1 8.652 . . 1 . . . . 60 GLN HN . 17135 1 229 . 1 1 60 60 GLN CA C 13 56.311 . . 1 . . . . 60 GLN CA . 17135 1 230 . 1 1 60 60 GLN CB C 13 28.544 . . 1 . . . . 60 GLN CB . 17135 1 231 . 1 1 60 60 GLN N N 15 121.142 . . 1 . . . . 60 GLN N . 17135 1 232 . 1 1 61 61 HIS H H 1 7.074 . . 1 . . . . 61 HIS HN . 17135 1 233 . 1 1 61 61 HIS CA C 13 53.493 . . 1 . . . . 61 HIS CA . 17135 1 234 . 1 1 61 61 HIS CB C 13 29.325 . . 1 . . . . 61 HIS CB . 17135 1 235 . 1 1 61 61 HIS N N 15 113.699 . . 1 . . . . 61 HIS N . 17135 1 236 . 1 1 62 62 GLY H H 1 7.784 . . 1 . . . . 62 GLY HN . 17135 1 237 . 1 1 62 62 GLY CA C 13 44.840 . . 1 . . . . 62 GLY CA . 17135 1 238 . 1 1 62 62 GLY N N 15 105.936 . . 1 . . . . 62 GLY N . 17135 1 239 . 1 1 63 63 THR H H 1 7.913 . . 1 . . . . 63 THR HN . 17135 1 240 . 1 1 63 63 THR CA C 13 61.058 . . 1 . . . . 63 THR CA . 17135 1 241 . 1 1 63 63 THR CB C 13 71.908 . . 1 . . . . 63 THR CB . 17135 1 242 . 1 1 63 63 THR N N 15 113.536 . . 1 . . . . 63 THR N . 17135 1 243 . 1 1 64 64 TYR H H 1 9.019 . . 1 . . . . 64 TYR HN . 17135 1 244 . 1 1 64 64 TYR CA C 13 57.530 . . 1 . . . . 64 TYR CA . 17135 1 245 . 1 1 64 64 TYR CB C 13 41.431 . . 1 . . . . 64 TYR CB . 17135 1 246 . 1 1 64 64 TYR N N 15 125.264 . . 1 . . . . 64 TYR N . 17135 1 247 . 1 1 65 65 VAL H H 1 8.029 . . 1 . . . . 65 VAL HN . 17135 1 248 . 1 1 65 65 VAL CA C 13 60.598 . . 1 . . . . 65 VAL CA . 17135 1 249 . 1 1 65 65 VAL CB C 13 32.258 . . 1 . . . . 65 VAL CB . 17135 1 250 . 1 1 65 65 VAL N N 15 120.100 . . 1 . . . . 65 VAL N . 17135 1 251 . 1 1 66 66 ILE H H 1 7.878 . . 1 . . . . 66 ILE HN . 17135 1 252 . 1 1 66 66 ILE CA C 13 58.938 . . 1 . . . . 66 ILE CA . 17135 1 253 . 1 1 66 66 ILE CB C 13 40.335 . . 1 . . . . 66 ILE CB . 17135 1 254 . 1 1 66 66 ILE N N 15 123.014 . . 1 . . . . 66 ILE N . 17135 1 255 . 1 1 67 67 ASN H H 1 7.617 . . 1 . . . . 67 ASN HN . 17135 1 256 . 1 1 67 67 ASN CA C 13 57.993 . . 1 . . . . 67 ASN CA . 17135 1 257 . 1 1 67 67 ASN CB C 13 38.759 . . 1 . . . . 67 ASN CB . 17135 1 258 . 1 1 67 67 ASN N N 15 119.284 . . 1 . . . . 67 ASN N . 17135 1 259 . 1 1 68 68 ARG H H 1 8.401 . . 1 . . . . 68 ARG HN . 17135 1 260 . 1 1 68 68 ARG CA C 13 57.318 . . 1 . . . . 68 ARG CA . 17135 1 261 . 1 1 68 68 ARG CB C 13 27.861 . . 1 . . . . 68 ARG CB . 17135 1 262 . 1 1 68 68 ARG N N 15 119.490 . . 1 . . . . 68 ARG N . 17135 1 263 . 1 1 69 69 GLN H H 1 7.624 . . 1 . . . . 69 GLN HN . 17135 1 264 . 1 1 69 69 GLN CA C 13 57.855 . . 1 . . . . 69 GLN CA . 17135 1 265 . 1 1 69 69 GLN CB C 13 29.259 . . 1 . . . . 69 GLN CB . 17135 1 266 . 1 1 69 69 GLN N N 15 115.904 . . 1 . . . . 69 GLN N . 17135 1 267 . 1 1 70 70 THR H H 1 7.699 . . 1 . . . . 70 THR HN . 17135 1 268 . 1 1 70 70 THR CA C 13 60.446 . . 1 . . . . 70 THR CA . 17135 1 269 . 1 1 70 70 THR CB C 13 64.588 . . 1 . . . . 70 THR CB . 17135 1 270 . 1 1 70 70 THR N N 15 122.584 . . 1 . . . . 70 THR N . 17135 1 271 . 1 1 71 71 PRO CA C 13 62.269 . . 1 . . . . 71 PRO CA . 17135 1 272 . 1 1 71 71 PRO CB C 13 32.629 . . 1 . . . . 71 PRO CB . 17135 1 273 . 1 1 72 72 ASN H H 1 9.004 . . 1 . . . . 72 ASN HN . 17135 1 274 . 1 1 72 72 ASN CA C 13 56.044 . . 1 . . . . 72 ASN CA . 17135 1 275 . 1 1 72 72 ASN CB C 13 40.575 . . 1 . . . . 72 ASN CB . 17135 1 276 . 1 1 72 72 ASN N N 15 121.457 . . 1 . . . . 72 ASN N . 17135 1 277 . 1 1 73 73 LYS H H 1 6.938 . . 1 . . . . 73 LYS HN . 17135 1 278 . 1 1 73 73 LYS CA C 13 53.676 . . 1 . . . . 73 LYS CA . 17135 1 279 . 1 1 73 73 LYS CB C 13 32.236 . . 1 . . . . 73 LYS CB . 17135 1 280 . 1 1 73 73 LYS N N 15 118.988 . . 1 . . . . 73 LYS N . 17135 1 281 . 1 1 74 74 GLN H H 1 8.689 . . 1 . . . . 74 GLN HN . 17135 1 282 . 1 1 74 74 GLN CA C 13 56.545 . . 1 . . . . 74 GLN CA . 17135 1 283 . 1 1 74 74 GLN CB C 13 27.112 . . 1 . . . . 74 GLN CB . 17135 1 284 . 1 1 74 74 GLN N N 15 122.401 . . 1 . . . . 74 GLN N . 17135 1 285 . 1 1 75 75 ILE H H 1 7.923 . . 1 . . . . 75 ILE HN . 17135 1 286 . 1 1 75 75 ILE CA C 13 63.159 . . 1 . . . . 75 ILE CA . 17135 1 287 . 1 1 75 75 ILE CB C 13 38.055 . . 1 . . . . 75 ILE CB . 17135 1 288 . 1 1 75 75 ILE N N 15 130.667 . . 1 . . . . 75 ILE N . 17135 1 289 . 1 1 76 76 TRP H H 1 8.803 . . 1 . . . . 76 TRP HN . 17135 1 290 . 1 1 76 76 TRP CA C 13 60.983 . . 1 . . . . 76 TRP CA . 17135 1 291 . 1 1 76 76 TRP CB C 13 29.165 . . 1 . . . . 76 TRP CB . 17135 1 292 . 1 1 76 76 TRP N N 15 121.750 . . 1 . . . . 76 TRP N . 17135 1 293 . 1 1 77 77 LEU H H 1 8.569 . . 1 . . . . 77 LEU HN . 17135 1 294 . 1 1 77 77 LEU CA C 13 53.750 . . 1 . . . . 77 LEU CA . 17135 1 295 . 1 1 77 77 LEU CB C 13 46.816 . . 1 . . . . 77 LEU CB . 17135 1 296 . 1 1 77 77 LEU N N 15 121.904 . . 1 . . . . 77 LEU N . 17135 1 297 . 1 1 78 78 SER H H 1 9.256 . . 1 . . . . 78 SER HN . 17135 1 298 . 1 1 78 78 SER CA C 13 57.475 . . 1 . . . . 78 SER CA . 17135 1 299 . 1 1 78 78 SER CB C 13 63.734 . . 1 . . . . 78 SER CB . 17135 1 300 . 1 1 78 78 SER N N 15 120.439 . . 1 . . . . 78 SER N . 17135 1 301 . 1 1 79 79 SER H H 1 7.354 . . 1 . . . . 79 SER HN . 17135 1 302 . 1 1 79 79 SER CA C 13 51.514 . . 1 . . . . 79 SER CA . 17135 1 303 . 1 1 79 79 SER CB C 13 63.584 . . 1 . . . . 79 SER CB . 17135 1 304 . 1 1 79 79 SER N N 15 120.718 . . 1 . . . . 79 SER N . 17135 1 305 . 1 1 80 80 PRO CA C 13 64.100 . . 1 . . . . 80 PRO CA . 17135 1 306 . 1 1 80 80 PRO CB C 13 32.148 . . 1 . . . . 80 PRO CB . 17135 1 307 . 1 1 81 81 THR H H 1 7.599 . . 1 . . . . 81 THR HN . 17135 1 308 . 1 1 81 81 THR CA C 13 62.604 . . 1 . . . . 81 THR CA . 17135 1 309 . 1 1 81 81 THR CB C 13 69.678 . . 1 . . . . 81 THR CB . 17135 1 310 . 1 1 81 81 THR N N 15 109.334 . . 1 . . . . 81 THR N . 17135 1 311 . 1 1 82 82 SER H H 1 8.045 . . 1 . . . . 82 SER HN . 17135 1 312 . 1 1 82 82 SER CA C 13 57.618 . . 1 . . . . 82 SER CA . 17135 1 313 . 1 1 82 82 SER CB C 13 63.460 . . 1 . . . . 82 SER CB . 17135 1 314 . 1 1 82 82 SER N N 15 113.565 . . 1 . . . . 82 SER N . 17135 1 315 . 1 1 83 83 GLY H H 1 7.863 . . 1 . . . . 83 GLY HN . 17135 1 316 . 1 1 83 83 GLY CA C 13 45.571 . . 1 . . . . 83 GLY CA . 17135 1 317 . 1 1 83 83 GLY N N 15 111.892 . . 1 . . . . 83 GLY N . 17135 1 318 . 1 1 85 85 LYS H H 1 9.599 . . 1 . . . . 85 LYS HN . 17135 1 319 . 1 1 85 85 LYS CA C 13 54.822 . . 1 . . . . 85 LYS CA . 17135 1 320 . 1 1 85 85 LYS CB C 13 30.858 . . 1 . . . . 85 LYS CB . 17135 1 321 . 1 1 85 85 LYS N N 15 130.083 . . 1 . . . . 85 LYS N . 17135 1 322 . 1 1 86 86 ARG H H 1 8.858 . . 1 . . . . 86 ARG HN . 17135 1 323 . 1 1 86 86 ARG CA C 13 54.547 . . 1 . . . . 86 ARG CA . 17135 1 324 . 1 1 86 86 ARG CB C 13 29.150 . . 1 . . . . 86 ARG CB . 17135 1 325 . 1 1 86 86 ARG N N 15 122.678 . . 1 . . . . 86 ARG N . 17135 1 326 . 1 1 87 87 TYR H H 1 9.784 . . 1 . . . . 87 TYR HN . 17135 1 327 . 1 1 87 87 TYR CA C 13 59.278 . . 1 . . . . 87 TYR CA . 17135 1 328 . 1 1 87 87 TYR CB C 13 41.715 . . 1 . . . . 87 TYR CB . 17135 1 329 . 1 1 87 87 TYR N N 15 121.506 . . 1 . . . . 87 TYR N . 17135 1 330 . 1 1 88 88 ASP H H 1 8.943 . . 1 . . . . 88 ASP HN . 17135 1 331 . 1 1 88 88 ASP CA C 13 53.479 . . 1 . . . . 88 ASP CA . 17135 1 332 . 1 1 88 88 ASP CB C 13 45.054 . . 1 . . . . 88 ASP CB . 17135 1 333 . 1 1 88 88 ASP N N 15 121.486 . . 1 . . . . 88 ASP N . 17135 1 334 . 1 1 89 89 PHE H H 1 9.101 . . 1 . . . . 89 PHE HN . 17135 1 335 . 1 1 89 89 PHE CA C 13 58.191 . . 1 . . . . 89 PHE CA . 17135 1 336 . 1 1 89 89 PHE CB C 13 38.658 . . 1 . . . . 89 PHE CB . 17135 1 337 . 1 1 89 89 PHE N N 15 123.494 . . 1 . . . . 89 PHE N . 17135 1 338 . 1 1 90 90 VAL H H 1 8.290 . . 1 . . . . 90 VAL HN . 17135 1 339 . 1 1 90 90 VAL CA C 13 61.139 . . 1 . . . . 90 VAL CA . 17135 1 340 . 1 1 90 90 VAL CB C 13 34.007 . . 1 . . . . 90 VAL CB . 17135 1 341 . 1 1 90 90 VAL N N 15 129.475 . . 1 . . . . 90 VAL N . 17135 1 342 . 1 1 91 91 GLY H H 1 8.094 . . 1 . . . . 91 GLY HN . 17135 1 343 . 1 1 91 91 GLY CA C 13 43.701 . . 1 . . . . 91 GLY CA . 17135 1 344 . 1 1 91 91 GLY N N 15 112.775 . . 1 . . . . 91 GLY N . 17135 1 345 . 1 1 92 92 THR H H 1 8.685 . . 1 . . . . 92 THR HN . 17135 1 346 . 1 1 92 92 THR CA C 13 59.207 . . 1 . . . . 92 THR CA . 17135 1 347 . 1 1 92 92 THR CB C 13 73.393 . . 1 . . . . 92 THR CB . 17135 1 348 . 1 1 92 92 THR N N 15 112.506 . . 1 . . . . 92 THR N . 17135 1 349 . 1 1 93 93 VAL H H 1 8.570 . . 1 . . . . 93 VAL HN . 17135 1 350 . 1 1 93 93 VAL CA C 13 59.195 . . 1 . . . . 93 VAL CA . 17135 1 351 . 1 1 93 93 VAL CB C 13 31.649 . . 1 . . . . 93 VAL CB . 17135 1 352 . 1 1 93 93 VAL N N 15 116.044 . . 1 . . . . 93 VAL N . 17135 1 353 . 1 1 94 94 ALA H H 1 7.855 . . 1 . . . . 94 ALA HN . 17135 1 354 . 1 1 94 94 ALA CA C 13 54.166 . . 1 . . . . 94 ALA CA . 17135 1 355 . 1 1 94 94 ALA CB C 13 19.353 . . 1 . . . . 94 ALA CB . 17135 1 356 . 1 1 94 94 ALA N N 15 121.803 . . 1 . . . . 94 ALA N . 17135 1 357 . 1 1 95 95 ALA H H 1 7.436 . . 1 . . . . 95 ALA HN . 17135 1 358 . 1 1 95 95 ALA CA C 13 52.877 . . 1 . . . . 95 ALA CA . 17135 1 359 . 1 1 95 95 ALA CB C 13 20.087 . . 1 . . . . 95 ALA CB . 17135 1 360 . 1 1 95 95 ALA N N 15 119.816 . . 1 . . . . 95 ALA N . 17135 1 361 . 1 1 96 96 GLY H H 1 8.444 . . 1 . . . . 96 GLY HN . 17135 1 362 . 1 1 96 96 GLY CA C 13 46.859 . . 1 . . . . 96 GLY CA . 17135 1 363 . 1 1 96 96 GLY N N 15 113.267 . . 1 . . . . 96 GLY N . 17135 1 364 . 1 1 97 97 ARG H H 1 7.513 . . 1 . . . . 97 ARG HN . 17135 1 365 . 1 1 97 97 ARG CA C 13 54.082 . . 1 . . . . 97 ARG CA . 17135 1 366 . 1 1 97 97 ARG CB C 13 33.141 . . 1 . . . . 97 ARG CB . 17135 1 367 . 1 1 97 97 ARG N N 15 112.967 . . 1 . . . . 97 ARG N . 17135 1 368 . 1 1 98 98 TRP H H 1 8.860 . . 1 . . . . 98 TRP HN . 17135 1 369 . 1 1 98 98 TRP CA C 13 55.646 . . 1 . . . . 98 TRP CA . 17135 1 370 . 1 1 98 98 TRP CB C 13 29.399 . . 1 . . . . 98 TRP CB . 17135 1 371 . 1 1 98 98 TRP N N 15 121.896 . . 1 . . . . 98 TRP N . 17135 1 372 . 1 1 99 99 ILE H H 1 8.065 . . 1 . . . . 99 ILE HN . 17135 1 373 . 1 1 99 99 ILE CA C 13 60.368 . . 1 . . . . 99 ILE CA . 17135 1 374 . 1 1 99 99 ILE CB C 13 40.389 . . 1 . . . . 99 ILE CB . 17135 1 375 . 1 1 99 99 ILE N N 15 121.558 . . 1 . . . . 99 ILE N . 17135 1 376 . 1 1 100 100 TYR H H 1 8.289 . . 1 . . . . 100 TYR HN . 17135 1 377 . 1 1 100 100 TYR CA C 13 54.777 . . 1 . . . . 100 TYR CA . 17135 1 378 . 1 1 100 100 TYR CB C 13 37.592 . . 1 . . . . 100 TYR CB . 17135 1 379 . 1 1 100 100 TYR N N 15 129.078 . . 1 . . . . 100 TYR N . 17135 1 380 . 1 1 101 101 LYS H H 1 9.122 . . 1 . . . . 101 LYS HN . 17135 1 381 . 1 1 101 101 LYS CA C 13 59.763 . . 1 . . . . 101 LYS CA . 17135 1 382 . 1 1 101 101 LYS CB C 13 32.035 . . 1 . . . . 101 LYS CB . 17135 1 383 . 1 1 101 101 LYS N N 15 130.266 . . 1 . . . . 101 LYS N . 17135 1 384 . 1 1 102 102 HIS H H 1 8.276 . . 1 . . . . 102 HIS HN . 17135 1 385 . 1 1 102 102 HIS CA C 13 51.994 . . 1 . . . . 102 HIS CA . 17135 1 386 . 1 1 102 102 HIS CB C 13 30.146 . . 1 . . . . 102 HIS CB . 17135 1 387 . 1 1 102 102 HIS N N 15 116.115 . . 1 . . . . 102 HIS N . 17135 1 388 . 1 1 103 103 SER H H 1 9.036 . . 1 . . . . 103 SER HN . 17135 1 389 . 1 1 103 103 SER CA C 13 58.266 . . 1 . . . . 103 SER CA . 17135 1 390 . 1 1 103 103 SER CB C 13 63.673 . . 1 . . . . 103 SER CB . 17135 1 391 . 1 1 103 103 SER N N 15 123.494 . . 1 . . . . 103 SER N . 17135 1 392 . 1 1 104 104 GLY H H 1 8.709 . . 1 . . . . 104 GLY HN . 17135 1 393 . 1 1 104 104 GLY CA C 13 45.702 . . 1 . . . . 104 GLY CA . 17135 1 394 . 1 1 104 104 GLY N N 15 112.234 . . 1 . . . . 104 GLY N . 17135 1 395 . 1 1 105 105 GLN H H 1 8.074 . . 1 . . . . 105 GLN HN . 17135 1 396 . 1 1 105 105 GLN CA C 13 56.091 . . 1 . . . . 105 GLN CA . 17135 1 397 . 1 1 105 105 GLN CB C 13 31.201 . . 1 . . . . 105 GLN CB . 17135 1 398 . 1 1 105 105 GLN N N 15 121.747 . . 1 . . . . 105 GLN N . 17135 1 399 . 1 1 106 106 SER H H 1 9.564 . . 1 . . . . 106 SER HN . 17135 1 400 . 1 1 106 106 SER CA C 13 57.494 . . 1 . . . . 106 SER CA . 17135 1 401 . 1 1 106 106 SER CB C 13 66.660 . . 1 . . . . 106 SER CB . 17135 1 402 . 1 1 106 106 SER N N 15 126.266 . . 1 . . . . 106 SER N . 17135 1 403 . 1 1 107 107 LEU H H 1 8.222 . . 1 . . . . 107 LEU HN . 17135 1 404 . 1 1 107 107 LEU CA C 13 58.238 . . 1 . . . . 107 LEU CA . 17135 1 405 . 1 1 107 107 LEU CB C 13 42.292 . . 1 . . . . 107 LEU CB . 17135 1 406 . 1 1 107 107 LEU N N 15 124.888 . . 1 . . . . 107 LEU N . 17135 1 407 . 1 1 108 108 HIS H H 1 7.956 . . 1 . . . . 108 HIS HN . 17135 1 408 . 1 1 108 108 HIS CA C 13 61.542 . . 1 . . . . 108 HIS CA . 17135 1 409 . 1 1 108 108 HIS CB C 13 31.155 . . 1 . . . . 108 HIS CB . 17135 1 410 . 1 1 108 108 HIS N N 15 116.824 . . 1 . . . . 108 HIS N . 17135 1 411 . 1 1 109 109 GLU H H 1 8.047 . . 1 . . . . 109 GLU HN . 17135 1 412 . 1 1 109 109 GLU CA C 13 59.632 . . 1 . . . . 109 GLU CA . 17135 1 413 . 1 1 109 109 GLU CB C 13 30.113 . . 1 . . . . 109 GLU CB . 17135 1 414 . 1 1 109 109 GLU N N 15 118.776 . . 1 . . . . 109 GLU N . 17135 1 415 . 1 1 110 110 LEU H H 1 7.146 . . 1 . . . . 110 LEU HN . 17135 1 416 . 1 1 110 110 LEU CA C 13 55.200 . . 1 . . . . 110 LEU CA . 17135 1 417 . 1 1 110 110 LEU CB C 13 43.878 . . 1 . . . . 110 LEU CB . 17135 1 418 . 1 1 110 110 LEU N N 15 121.146 . . 1 . . . . 110 LEU N . 17135 1 419 . 1 1 111 111 LEU H H 1 7.104 . . 1 . . . . 111 LEU HN . 17135 1 420 . 1 1 111 111 LEU CA C 13 54.960 . . 1 . . . . 111 LEU CA . 17135 1 421 . 1 1 111 111 LEU CB C 13 43.378 . . 1 . . . . 111 LEU CB . 17135 1 422 . 1 1 111 111 LEU N N 15 121.127 . . 1 . . . . 111 LEU N . 17135 1 423 . 1 1 112 112 GLN H H 1 8.029 . . 1 . . . . 112 GLN HN . 17135 1 424 . 1 1 112 112 GLN CA C 13 57.823 . . 1 . . . . 112 GLN CA . 17135 1 425 . 1 1 112 112 GLN CB C 13 29.044 . . 1 . . . . 112 GLN CB . 17135 1 426 . 1 1 112 112 GLN N N 15 117.493 . . 1 . . . . 112 GLN N . 17135 1 427 . 1 1 113 113 GLN H H 1 7.266 . . 1 . . . . 113 GLN HN . 17135 1 428 . 1 1 113 113 GLN CA C 13 58.897 . . 1 . . . . 113 GLN CA . 17135 1 429 . 1 1 113 113 GLN CB C 13 30.353 . . 1 . . . . 113 GLN CB . 17135 1 430 . 1 1 113 113 GLN N N 15 119.492 . . 1 . . . . 113 GLN N . 17135 1 431 . 1 1 114 114 GLU H H 1 7.644 . . 1 . . . . 114 GLU HN . 17135 1 432 . 1 1 114 114 GLU CA C 13 61.516 . . 1 . . . . 114 GLU CA . 17135 1 433 . 1 1 114 114 GLU CB C 13 30.848 . . 1 . . . . 114 GLU CB . 17135 1 434 . 1 1 114 114 GLU N N 15 113.864 . . 1 . . . . 114 GLU N . 17135 1 435 . 1 1 115 115 ILE H H 1 8.156 . . 1 . . . . 115 ILE HN . 17135 1 436 . 1 1 115 115 ILE CA C 13 63.825 . . 1 . . . . 115 ILE CA . 17135 1 437 . 1 1 115 115 ILE CB C 13 34.199 . . 1 . . . . 115 ILE CB . 17135 1 438 . 1 1 115 115 ILE N N 15 113.930 . . 1 . . . . 115 ILE N . 17135 1 439 . 1 1 116 116 PRO CA C 13 67.192 . . 1 . . . . 116 PRO CA . 17135 1 440 . 1 1 116 116 PRO CB C 13 30.194 . . 1 . . . . 116 PRO CB . 17135 1 441 . 1 1 117 117 GLY H H 1 7.770 . . 1 . . . . 117 GLY HN . 17135 1 442 . 1 1 117 117 GLY CA C 13 45.912 . . 1 . . . . 117 GLY CA . 17135 1 443 . 1 1 117 117 GLY N N 15 101.415 . . 1 . . . . 117 GLY N . 17135 1 444 . 1 1 118 118 ILE H H 1 7.618 . . 1 . . . . 118 ILE HN . 17135 1 445 . 1 1 118 118 ILE CA C 13 63.431 . . 1 . . . . 118 ILE CA . 17135 1 446 . 1 1 118 118 ILE CB C 13 39.867 . . 1 . . . . 118 ILE CB . 17135 1 447 . 1 1 118 118 ILE N N 15 119.775 . . 1 . . . . 118 ILE N . 17135 1 448 . 1 1 119 119 LEU H H 1 7.498 . . 1 . . . . 119 LEU HN . 17135 1 449 . 1 1 119 119 LEU CA C 13 53.523 . . 1 . . . . 119 LEU CA . 17135 1 450 . 1 1 119 119 LEU CB C 13 41.374 . . 1 . . . . 119 LEU CB . 17135 1 451 . 1 1 119 119 LEU N N 15 120.436 . . 1 . . . . 119 LEU N . 17135 1 452 . 1 1 120 120 LYS H H 1 7.455 . . 1 . . . . 120 LYS HN . 17135 1 453 . 1 1 120 120 LYS CA C 13 58.200 . . 1 . . . . 120 LYS CA . 17135 1 454 . 1 1 120 120 LYS CB C 13 32.313 . . 1 . . . . 120 LYS CB . 17135 1 455 . 1 1 120 120 LYS N N 15 118.057 . . 1 . . . . 120 LYS N . 17135 1 456 . 1 1 121 121 SER H H 1 8.390 . . 1 . . . . 121 SER HN . 17135 1 457 . 1 1 121 121 SER CA C 13 58.283 . . 1 . . . . 121 SER CA . 17135 1 458 . 1 1 121 121 SER CB C 13 63.689 . . 1 . . . . 121 SER CB . 17135 1 459 . 1 1 121 121 SER N N 15 112.536 . . 1 . . . . 121 SER N . 17135 1 460 . 1 1 122 122 GLN H H 1 7.742 . . 1 . . . . 122 GLN HN . 17135 1 461 . 1 1 122 122 GLN CA C 13 56.228 . . 1 . . . . 122 GLN CA . 17135 1 462 . 1 1 122 122 GLN CB C 13 31.648 . . 1 . . . . 122 GLN CB . 17135 1 463 . 1 1 122 122 GLN N N 15 120.109 . . 1 . . . . 122 GLN N . 17135 1 464 . 1 1 123 123 SER H H 1 7.003 . . 1 . . . . 123 SER HN . 17135 1 465 . 1 1 123 123 SER CA C 13 57.410 . . 1 . . . . 123 SER CA . 17135 1 466 . 1 1 123 123 SER CB C 13 64.618 . . 1 . . . . 123 SER CB . 17135 1 467 . 1 1 123 123 SER N N 15 109.411 . . 1 . . . . 123 SER N . 17135 1 468 . 1 1 124 124 VAL H H 1 8.359 . . 1 . . . . 124 VAL HN . 17135 1 469 . 1 1 124 124 VAL CA C 13 61.973 . . 1 . . . . 124 VAL CA . 17135 1 470 . 1 1 124 124 VAL CB C 13 33.936 . . 1 . . . . 124 VAL CB . 17135 1 471 . 1 1 124 124 VAL N N 15 125.844 . . 1 . . . . 124 VAL N . 17135 1 472 . 1 1 125 125 ASP H H 1 8.778 . . 1 . . . . 125 ASP HN . 17135 1 473 . 1 1 125 125 ASP CA C 13 53.310 . . 1 . . . . 125 ASP CA . 17135 1 474 . 1 1 125 125 ASP CB C 13 40.808 . . 1 . . . . 125 ASP CB . 17135 1 475 . 1 1 125 125 ASP N N 15 126.921 . . 1 . . . . 125 ASP N . 17135 1 476 . 1 1 126 126 PHE H H 1 9.559 . . 1 . . . . 126 PHE HN . 17135 1 477 . 1 1 126 126 PHE CA C 13 61.162 . . 1 . . . . 126 PHE CA . 17135 1 478 . 1 1 126 126 PHE CB C 13 40.732 . . 1 . . . . 126 PHE CB . 17135 1 479 . 1 1 126 126 PHE N N 15 122.594 . . 1 . . . . 126 PHE N . 17135 1 480 . 1 1 127 127 LEU H H 1 8.020 . . 1 . . . . 127 LEU HN . 17135 1 481 . 1 1 127 127 LEU CA C 13 55.708 . . 1 . . . . 127 LEU CA . 17135 1 482 . 1 1 127 127 LEU CB C 13 38.356 . . 1 . . . . 127 LEU CB . 17135 1 483 . 1 1 127 127 LEU N N 15 116.466 . . 1 . . . . 127 LEU N . 17135 1 484 . 1 1 128 128 ARG H H 1 6.354 . . 1 . . . . 128 ARG HN . 17135 1 485 . 1 1 128 128 ARG CA C 13 54.637 . . 1 . . . . 128 ARG CA . 17135 1 486 . 1 1 128 128 ARG CB C 13 30.447 . . 1 . . . . 128 ARG CB . 17135 1 487 . 1 1 128 128 ARG N N 15 114.482 . . 1 . . . . 128 ARG N . 17135 1 488 . 1 1 129 129 LEU H H 1 6.649 . . 1 . . . . 129 LEU HN . 17135 1 489 . 1 1 129 129 LEU CA C 13 54.005 . . 1 . . . . 129 LEU CA . 17135 1 490 . 1 1 129 129 LEU CB C 13 40.964 . . 1 . . . . 129 LEU CB . 17135 1 491 . 1 1 129 129 LEU N N 15 122.530 . . 1 . . . . 129 LEU N . 17135 1 492 . 1 1 131 131 TYR H H 1 9.736 . . 1 . . . . 131 TYR HN . 17135 1 493 . 1 1 131 131 TYR CA C 13 61.868 . . 1 . . . . 131 TYR CA . 17135 1 494 . 1 1 131 131 TYR CB C 13 35.868 . . 1 . . . . 131 TYR CB . 17135 1 495 . 1 1 131 131 TYR N N 15 121.553 . . 1 . . . . 131 TYR N . 17135 1 496 . 1 1 132 132 CYS H H 1 8.433 . . 1 . . . . 132 CYS HN . 17135 1 497 . 1 1 132 132 CYS CA C 13 57.800 . . 1 . . . . 132 CYS CA . 17135 1 498 . 1 1 132 132 CYS CB C 13 40.560 . . 1 . . . . 132 CYS CB . 17135 1 499 . 1 1 132 132 CYS N N 15 120.652 . . 1 . . . . 132 CYS N . 17135 1 500 . 1 1 133 133 SER H H 1 8.074 . . 1 . . . . 133 SER HN . 17135 1 501 . 1 1 133 133 SER CB C 13 68.243 . . 1 . . . . 133 SER CB . 17135 1 502 . 1 1 133 133 SER N N 15 115.243 . . 1 . . . . 133 SER N . 17135 1 stop_ save_