data_18309 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18309 _Entry.Title ; Chemical Shift 1H, 13C, 15N Assignments of N-terminal domain of Thermotoga Maritima flagellar motor protein FliG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-01 _Entry.Accession_date 2012-03-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical Shift 1H, 13C, 15N Assignments of N-terminal domain of Thermotoga Maritima flagellar motor protein FliG' _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 Robert Levenson . . . 18309 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18309 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 191 18309 '15N chemical shifts' 91 18309 '1H chemical shifts' 91 18309 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-03-01 update BMRB 'update entry citation' 18309 1 . . 2012-06-13 2012-03-01 original author 'original release' 18309 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18310 FliGn-FliFc 18309 stop_ save_ ############### # Citations # ############### save_FliF-FliG _Citation.Sf_category citations _Citation.Sf_framecode FliF-FliG _Citation.Entry_ID 18309 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22670715 _Citation.Full_citation . _Citation.Title 'Structural insights into the interaction between the bacterial flagellar motor proteins FliF and FliG.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 25 _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 5052 _Citation.Page_last 5060 _Citation.Year 2012 _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 Robert Levenson . . . 18309 1 2 Hongjun Zhou . . . 18309 1 3 Frederick Dahlquist . W. . 18309 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18309 _Assembly.ID 1 _Assembly.Name 'FliGn homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 27000 _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 'FliGn, chain 1' 1 $FliGn A . yes native no no . . . 18309 1 2 'FliGn, chain 2' 1 $FliGn B . yes native no no . . . 18309 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FliGn _Entity.Sf_category entity _Entity.Sf_framecode FliGn _Entity.Entry_ID 18309 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FliGn _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 ; MDHHHHHHHHASENLYFQGH MPEKKIDGRRKAAVLLVALG PEKAAQVMKHLDEETVEQLV VEIANIGRVTPEEKKQVLEE FLSLAKAKEMISEGGIEYAK KVLEKAFGPERARKIIERLT SS ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . _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 BMRB 18310 . FliGn . . . . . 100.00 122 100.00 100.00 4.34e-80 . . . . 18309 1 2 no GB AAD35312 . "flagellar motor switch protein FliG [Thermotoga maritima MSB8]" . . . . . 83.61 335 100.00 100.00 2.55e-60 . . . . 18309 1 3 no GB ABQ46724 . "flagellar motor switch protein FliG [Thermotoga petrophila RKU-1]" . . . . . 83.61 335 97.06 99.02 2.28e-58 . . . . 18309 1 4 no GB ACB09081 . "flagellar motor switch protein FliG [Thermotoga sp. RQ2]" . . . . . 83.61 335 97.06 99.02 2.53e-58 . . . . 18309 1 5 no GB ADA66942 . "flagellar motor switch protein FliG [Thermotoga naphthophila RKU-10]" . . . . . 83.61 335 97.06 99.02 2.28e-58 . . . . 18309 1 6 no GB AGL49144 . "Flagellar motor switch protein FliG [Thermotoga maritima MSB8]" . . . . . 83.61 335 100.00 100.00 2.55e-60 . . . . 18309 1 7 no REF NP_228035 . "flagellar motor switch protein G [Thermotoga maritima MSB8]" . . . . . 83.61 335 100.00 100.00 2.55e-60 . . . . 18309 1 8 no REF WP_004082903 . "flagellar motor switch protein FliG [Thermotoga maritima]" . . . . . 83.61 335 100.00 100.00 2.55e-60 . . . . 18309 1 9 no REF WP_008193872 . "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" . . . . . 83.61 335 97.06 99.02 2.23e-58 . . . . 18309 1 10 no REF WP_011943308 . "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" . . . . . 83.61 335 97.06 99.02 2.28e-58 . . . . 18309 1 11 no REF WP_012310706 . "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" . . . . . 83.61 335 97.06 99.02 2.53e-58 . . . . 18309 1 12 no SP Q9WY63 . "RecName: Full=Flagellar motor switch protein FliG" . . . . . 83.61 335 100.00 100.00 2.55e-60 . . . . 18309 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 -19 MET . 18309 1 2 -18 ASP . 18309 1 3 -17 HIS . 18309 1 4 -16 HIS . 18309 1 5 -15 HIS . 18309 1 6 -14 HIS . 18309 1 7 -13 HIS . 18309 1 8 -12 HIS . 18309 1 9 -11 HIS . 18309 1 10 -10 HIS . 18309 1 11 -9 ALA . 18309 1 12 -8 SER . 18309 1 13 -7 GLU . 18309 1 14 -6 ASN . 18309 1 15 -5 LEU . 18309 1 16 -4 TYR . 18309 1 17 -3 PHE . 18309 1 18 -2 GLN . 18309 1 19 -1 GLY . 18309 1 20 0 HIS . 18309 1 21 1 MET . 18309 1 22 2 PRO . 18309 1 23 3 GLU . 18309 1 24 4 LYS . 18309 1 25 5 LYS . 18309 1 26 6 ILE . 18309 1 27 7 ASP . 18309 1 28 8 GLY . 18309 1 29 9 ARG . 18309 1 30 10 ARG . 18309 1 31 11 LYS . 18309 1 32 12 ALA . 18309 1 33 13 ALA . 18309 1 34 14 VAL . 18309 1 35 15 LEU . 18309 1 36 16 LEU . 18309 1 37 17 VAL . 18309 1 38 18 ALA . 18309 1 39 19 LEU . 18309 1 40 20 GLY . 18309 1 41 21 PRO . 18309 1 42 22 GLU . 18309 1 43 23 LYS . 18309 1 44 24 ALA . 18309 1 45 25 ALA . 18309 1 46 26 GLN . 18309 1 47 27 VAL . 18309 1 48 28 MET . 18309 1 49 29 LYS . 18309 1 50 30 HIS . 18309 1 51 31 LEU . 18309 1 52 32 ASP . 18309 1 53 33 GLU . 18309 1 54 34 GLU . 18309 1 55 35 THR . 18309 1 56 36 VAL . 18309 1 57 37 GLU . 18309 1 58 38 GLN . 18309 1 59 39 LEU . 18309 1 60 40 VAL . 18309 1 61 41 VAL . 18309 1 62 42 GLU . 18309 1 63 43 ILE . 18309 1 64 44 ALA . 18309 1 65 45 ASN . 18309 1 66 46 ILE . 18309 1 67 47 GLY . 18309 1 68 48 ARG . 18309 1 69 49 VAL . 18309 1 70 50 THR . 18309 1 71 51 PRO . 18309 1 72 52 GLU . 18309 1 73 53 GLU . 18309 1 74 54 LYS . 18309 1 75 55 LYS . 18309 1 76 56 GLN . 18309 1 77 57 VAL . 18309 1 78 58 LEU . 18309 1 79 59 GLU . 18309 1 80 60 GLU . 18309 1 81 61 PHE . 18309 1 82 62 LEU . 18309 1 83 63 SER . 18309 1 84 64 LEU . 18309 1 85 65 ALA . 18309 1 86 66 LYS . 18309 1 87 67 ALA . 18309 1 88 68 LYS . 18309 1 89 69 GLU . 18309 1 90 70 MET . 18309 1 91 71 ILE . 18309 1 92 72 SER . 18309 1 93 73 GLU . 18309 1 94 74 GLY . 18309 1 95 75 GLY . 18309 1 96 76 ILE . 18309 1 97 77 GLU . 18309 1 98 78 TYR . 18309 1 99 79 ALA . 18309 1 100 80 LYS . 18309 1 101 81 LYS . 18309 1 102 82 VAL . 18309 1 103 83 LEU . 18309 1 104 84 GLU . 18309 1 105 85 LYS . 18309 1 106 86 ALA . 18309 1 107 87 PHE . 18309 1 108 88 GLY . 18309 1 109 89 PRO . 18309 1 110 90 GLU . 18309 1 111 91 ARG . 18309 1 112 92 ALA . 18309 1 113 93 ARG . 18309 1 114 94 LYS . 18309 1 115 95 ILE . 18309 1 116 96 ILE . 18309 1 117 97 GLU . 18309 1 118 98 ARG . 18309 1 119 99 LEU . 18309 1 120 100 THR . 18309 1 121 101 SER . 18309 1 122 102 SER . 18309 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 18309 1 . ASP 2 2 18309 1 . HIS 3 3 18309 1 . HIS 4 4 18309 1 . HIS 5 5 18309 1 . HIS 6 6 18309 1 . HIS 7 7 18309 1 . HIS 8 8 18309 1 . HIS 9 9 18309 1 . HIS 10 10 18309 1 . ALA 11 11 18309 1 . SER 12 12 18309 1 . GLU 13 13 18309 1 . ASN 14 14 18309 1 . LEU 15 15 18309 1 . TYR 16 16 18309 1 . PHE 17 17 18309 1 . GLN 18 18 18309 1 . GLY 19 19 18309 1 . HIS 20 20 18309 1 . MET 21 21 18309 1 . PRO 22 22 18309 1 . GLU 23 23 18309 1 . LYS 24 24 18309 1 . LYS 25 25 18309 1 . ILE 26 26 18309 1 . ASP 27 27 18309 1 . GLY 28 28 18309 1 . ARG 29 29 18309 1 . ARG 30 30 18309 1 . LYS 31 31 18309 1 . ALA 32 32 18309 1 . ALA 33 33 18309 1 . VAL 34 34 18309 1 . LEU 35 35 18309 1 . LEU 36 36 18309 1 . VAL 37 37 18309 1 . ALA 38 38 18309 1 . LEU 39 39 18309 1 . GLY 40 40 18309 1 . PRO 41 41 18309 1 . GLU 42 42 18309 1 . LYS 43 43 18309 1 . ALA 44 44 18309 1 . ALA 45 45 18309 1 . GLN 46 46 18309 1 . VAL 47 47 18309 1 . MET 48 48 18309 1 . LYS 49 49 18309 1 . HIS 50 50 18309 1 . LEU 51 51 18309 1 . ASP 52 52 18309 1 . GLU 53 53 18309 1 . GLU 54 54 18309 1 . THR 55 55 18309 1 . VAL 56 56 18309 1 . GLU 57 57 18309 1 . GLN 58 58 18309 1 . LEU 59 59 18309 1 . VAL 60 60 18309 1 . VAL 61 61 18309 1 . GLU 62 62 18309 1 . ILE 63 63 18309 1 . ALA 64 64 18309 1 . ASN 65 65 18309 1 . ILE 66 66 18309 1 . GLY 67 67 18309 1 . ARG 68 68 18309 1 . VAL 69 69 18309 1 . THR 70 70 18309 1 . PRO 71 71 18309 1 . GLU 72 72 18309 1 . GLU 73 73 18309 1 . LYS 74 74 18309 1 . LYS 75 75 18309 1 . GLN 76 76 18309 1 . VAL 77 77 18309 1 . LEU 78 78 18309 1 . GLU 79 79 18309 1 . GLU 80 80 18309 1 . PHE 81 81 18309 1 . LEU 82 82 18309 1 . SER 83 83 18309 1 . LEU 84 84 18309 1 . ALA 85 85 18309 1 . LYS 86 86 18309 1 . ALA 87 87 18309 1 . LYS 88 88 18309 1 . GLU 89 89 18309 1 . MET 90 90 18309 1 . ILE 91 91 18309 1 . SER 92 92 18309 1 . GLU 93 93 18309 1 . GLY 94 94 18309 1 . GLY 95 95 18309 1 . ILE 96 96 18309 1 . GLU 97 97 18309 1 . TYR 98 98 18309 1 . ALA 99 99 18309 1 . LYS 100 100 18309 1 . LYS 101 101 18309 1 . VAL 102 102 18309 1 . LEU 103 103 18309 1 . GLU 104 104 18309 1 . LYS 105 105 18309 1 . ALA 106 106 18309 1 . PHE 107 107 18309 1 . GLY 108 108 18309 1 . PRO 109 109 18309 1 . GLU 110 110 18309 1 . ARG 111 111 18309 1 . ALA 112 112 18309 1 . ARG 113 113 18309 1 . LYS 114 114 18309 1 . ILE 115 115 18309 1 . ILE 116 116 18309 1 . GLU 117 117 18309 1 . ARG 118 118 18309 1 . LEU 119 119 18309 1 . THR 120 120 18309 1 . SER 121 121 18309 1 . SER 122 122 18309 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 18309 _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 $FliGn . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 18309 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 18309 _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 $FliGn . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJY5 . . . . . . 18309 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18309 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FliGn '[U-100% 13C; U-100% 15N]' . . 1 $FliGn . . 400 . . uM 100 . . . 18309 1 2 'Sodium Phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18309 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18309 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18309 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18309 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18309 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 18309 1 pH 6.5 . pH 18309 1 pressure 1 . atm 18309 1 temperature 313 . K 18309 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 18309 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 18309 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18309 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18309 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18309 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18309 2 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 18309 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18309 _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 . . . 18309 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 18309 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18309 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18309 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18309 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 18309 _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 external indirect 0.251449530 . . . . . . . . . 18309 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 18309 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 18309 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 18309 _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_1 _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' . . . 18309 1 2 '3D HNCACB' . . . 18309 1 3 '3D CBCA(CO)NH' . . . 18309 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 10 10 HIS CA C 13 56.18 0.1 . 1 . . . . -10 HIS CA . 18309 1 2 . 1 1 10 10 HIS CB C 13 30.53 0.1 . 1 . . . . -10 HIS CB . 18309 1 3 . 1 1 11 11 ALA H H 1 8.298 0.02 . 1 . . . . -9 ALA H . 18309 1 4 . 1 1 11 11 ALA CA C 13 52.97 0.1 . 1 . . . . -9 ALA CA . 18309 1 5 . 1 1 11 11 ALA CB C 13 19.27 0.1 . 1 . . . . -9 ALA CB . 18309 1 6 . 1 1 11 11 ALA N N 15 125.53 0.1 . 1 . . . . -9 ALA N . 18309 1 7 . 1 1 12 12 SER H H 1 8.266 0.02 . 1 . . . . -8 SER H . 18309 1 8 . 1 1 12 12 SER CA C 13 58.72 0.1 . 1 . . . . -8 SER CA . 18309 1 9 . 1 1 12 12 SER CB C 13 63.81 0.1 . 1 . . . . -8 SER CB . 18309 1 10 . 1 1 12 12 SER N N 15 114.66 0.1 . 1 . . . . -8 SER N . 18309 1 11 . 1 1 13 13 GLU H H 1 8.320 0.02 . 1 . . . . -7 GLU H . 18309 1 12 . 1 1 13 13 GLU CA C 13 56.99 0.1 . 1 . . . . -7 GLU CA . 18309 1 13 . 1 1 13 13 GLU CB C 13 30.29 0.1 . 1 . . . . -7 GLU CB . 18309 1 14 . 1 1 13 13 GLU N N 15 122.13 0.1 . 1 . . . . -7 GLU N . 18309 1 15 . 1 1 14 14 ASN H H 1 8.257 0.02 . 1 . . . . -6 ASN H . 18309 1 16 . 1 1 14 14 ASN CA C 13 53.47 0.1 . 1 . . . . -6 ASN CA . 18309 1 17 . 1 1 14 14 ASN CB C 13 39.02 0.1 . 1 . . . . -6 ASN CB . 18309 1 18 . 1 1 14 14 ASN N N 15 118.78 0.1 . 1 . . . . -6 ASN N . 18309 1 19 . 1 1 15 15 LEU H H 1 7.964 0.02 . 1 . . . . -5 LEU H . 18309 1 20 . 1 1 15 15 LEU CA C 13 55.57 0.1 . 1 . . . . -5 LEU CA . 18309 1 21 . 1 1 15 15 LEU CB C 13 42.48 0.1 . 1 . . . . -5 LEU CB . 18309 1 22 . 1 1 15 15 LEU N N 15 121.84 0.1 . 1 . . . . -5 LEU N . 18309 1 23 . 1 1 16 16 TYR H H 1 7.966 0.02 . 1 . . . . -4 TYR H . 18309 1 24 . 1 1 16 16 TYR CA C 13 57.97 0.1 . 1 . . . . -4 TYR CA . 18309 1 25 . 1 1 16 16 TYR CB C 13 38.79 0.1 . 1 . . . . -4 TYR CB . 18309 1 26 . 1 1 16 16 TYR N N 15 119.44 0.1 . 1 . . . . -4 TYR N . 18309 1 27 . 1 1 17 17 PHE H H 1 8.014 0.02 . 1 . . . . -3 PHE H . 18309 1 28 . 1 1 17 17 PHE CA C 13 57.78 0.1 . 1 . . . . -3 PHE CA . 18309 1 29 . 1 1 17 17 PHE CB C 13 39.53 0.1 . 1 . . . . -3 PHE CB . 18309 1 30 . 1 1 17 17 PHE N N 15 120.84 0.1 . 1 . . . . -3 PHE N . 18309 1 31 . 1 1 18 18 GLN H H 1 8.172 0.02 . 1 . . . . -2 GLN H . 18309 1 32 . 1 1 18 18 GLN CA C 13 56.27 0.1 . 1 . . . . -2 GLN CA . 18309 1 33 . 1 1 18 18 GLN CB C 13 29.39 0.1 . 1 . . . . -2 GLN CB . 18309 1 34 . 1 1 18 18 GLN N N 15 121.72 0.1 . 1 . . . . -2 GLN N . 18309 1 35 . 1 1 19 19 GLY H H 1 7.842 0.02 . 1 . . . . -1 GLY H . 18309 1 36 . 1 1 19 19 GLY CA C 13 45.39 0.1 . 1 . . . . -1 GLY CA . 18309 1 37 . 1 1 19 19 GLY N N 15 108.72 0.1 . 1 . . . . -1 GLY N . 18309 1 38 . 1 1 20 20 HIS H H 1 8.097 0.02 . 1 . . . . 0 HIS H . 18309 1 39 . 1 1 20 20 HIS CB C 13 30.58 0.1 . 1 . . . . 0 HIS CB . 18309 1 40 . 1 1 20 20 HIS N N 15 118.82 0.1 . 1 . . . . 0 HIS N . 18309 1 41 . 1 1 22 22 PRO CA C 13 63.33 0.1 . 1 . . . . 2 PRO CA . 18309 1 42 . 1 1 22 22 PRO CB C 13 32.07 0.1 . 1 . . . . 2 PRO CB . 18309 1 43 . 1 1 23 23 GLU H H 1 8.491 0.02 . 1 . . . . 3 GLU H . 18309 1 44 . 1 1 23 23 GLU CA C 13 56.94 0.1 . 1 . . . . 3 GLU CA . 18309 1 45 . 1 1 23 23 GLU CB C 13 30.41 0.1 . 1 . . . . 3 GLU CB . 18309 1 46 . 1 1 23 23 GLU N N 15 121.02 0.1 . 1 . . . . 3 GLU N . 18309 1 47 . 1 1 24 24 LYS H H 1 8.173 0.02 . 1 . . . . 4 LYS H . 18309 1 48 . 1 1 24 24 LYS CA C 13 56.14 0.1 . 1 . . . . 4 LYS CA . 18309 1 49 . 1 1 24 24 LYS CB C 13 33.09 0.1 . 1 . . . . 4 LYS CB . 18309 1 50 . 1 1 24 24 LYS N N 15 122.09 0.1 . 1 . . . . 4 LYS N . 18309 1 51 . 1 1 25 25 LYS H H 1 8.208 0.02 . 1 . . . . 5 LYS H . 18309 1 52 . 1 1 25 25 LYS CA C 13 56.32 0.1 . 1 . . . . 5 LYS CA . 18309 1 53 . 1 1 25 25 LYS CB C 13 33.18 0.1 . 1 . . . . 5 LYS CB . 18309 1 54 . 1 1 25 25 LYS N N 15 123.01 0.1 . 1 . . . . 5 LYS N . 18309 1 55 . 1 1 26 26 ILE H H 1 8.275 0.02 . 1 . . . . 6 ILE H . 18309 1 56 . 1 1 26 26 ILE CA C 13 61.08 0.1 . 1 . . . . 6 ILE CA . 18309 1 57 . 1 1 26 26 ILE CB C 13 38.83 0.1 . 1 . . . . 6 ILE CB . 18309 1 58 . 1 1 26 26 ILE N N 15 122.48 0.1 . 1 . . . . 6 ILE N . 18309 1 59 . 1 1 32 32 ALA CA C 13 55.59 0.1 . 1 . . . . 12 ALA CA . 18309 1 60 . 1 1 32 32 ALA CB C 13 18.67 0.1 . 1 . . . . 12 ALA CB . 18309 1 61 . 1 1 33 33 ALA H H 1 7.904 0.02 . 1 . . . . 13 ALA H . 18309 1 62 . 1 1 33 33 ALA CA C 13 55.72 0.1 . 1 . . . . 13 ALA CA . 18309 1 63 . 1 1 33 33 ALA CB C 13 19.64 0.1 . 1 . . . . 13 ALA CB . 18309 1 64 . 1 1 33 33 ALA N N 15 119.29 0.1 . 1 . . . . 13 ALA N . 18309 1 65 . 1 1 34 34 VAL H H 1 8.378 0.02 . 1 . . . . 14 VAL H . 18309 1 66 . 1 1 34 34 VAL CA C 13 67.30 0.1 . 1 . . . . 14 VAL CA . 18309 1 67 . 1 1 34 34 VAL CB C 13 31.67 0.1 . 1 . . . . 14 VAL CB . 18309 1 68 . 1 1 34 34 VAL N N 15 117.70 0.1 . 1 . . . . 14 VAL N . 18309 1 69 . 1 1 38 38 ALA H H 1 8.412 0.02 . 1 . . . . 18 ALA H . 18309 1 70 . 1 1 38 38 ALA CA C 13 54.49 0.1 . 1 . . . . 18 ALA CA . 18309 1 71 . 1 1 38 38 ALA CB C 13 18.26 0.1 . 1 . . . . 18 ALA CB . 18309 1 72 . 1 1 38 38 ALA N N 15 121.94 0.1 . 1 . . . . 18 ALA N . 18309 1 73 . 1 1 39 39 LEU H H 1 7.981 0.02 . 1 . . . . 19 LEU H . 18309 1 74 . 1 1 39 39 LEU CA C 13 56.70 0.1 . 1 . . . . 19 LEU CA . 18309 1 75 . 1 1 39 39 LEU CB C 13 43.74 0.1 . 1 . . . . 19 LEU CB . 18309 1 76 . 1 1 39 39 LEU N N 15 114.63 0.1 . 1 . . . . 19 LEU N . 18309 1 77 . 1 1 40 40 GLY H H 1 6.941 0.02 . 1 . . . . 20 GLY H . 18309 1 78 . 1 1 40 40 GLY CA C 13 44.84 0.1 . 1 . . . . 20 GLY CA . 18309 1 79 . 1 1 40 40 GLY N N 15 105.91 0.1 . 1 . . . . 20 GLY N . 18309 1 80 . 1 1 41 41 PRO CA C 13 66.07 0.1 . 1 . . . . 21 PRO CA . 18309 1 81 . 1 1 41 41 PRO CB C 13 31.87 0.1 . 1 . . . . 21 PRO CB . 18309 1 82 . 1 1 42 42 GLU H H 1 7.989 0.02 . 1 . . . . 22 GLU H . 18309 1 83 . 1 1 42 42 GLU CA C 13 60.33 0.1 . 1 . . . . 22 GLU CA . 18309 1 84 . 1 1 42 42 GLU CB C 13 29.21 0.1 . 1 . . . . 22 GLU CB . 18309 1 85 . 1 1 42 42 GLU N N 15 116.85 0.1 . 1 . . . . 22 GLU N . 18309 1 86 . 1 1 43 43 LYS H H 1 8.705 0.02 . 1 . . . . 23 LYS H . 18309 1 87 . 1 1 43 43 LYS CA C 13 58.88 0.1 . 1 . . . . 23 LYS CA . 18309 1 88 . 1 1 43 43 LYS CB C 13 32.99 0.1 . 1 . . . . 23 LYS CB . 18309 1 89 . 1 1 43 43 LYS N N 15 119.30 0.1 . 1 . . . . 23 LYS N . 18309 1 90 . 1 1 44 44 ALA H H 1 8.556 0.02 . 1 . . . . 24 ALA H . 18309 1 91 . 1 1 44 44 ALA CA C 13 55.57 0.1 . 1 . . . . 24 ALA CA . 18309 1 92 . 1 1 44 44 ALA CB C 13 19.47 0.1 . 1 . . . . 24 ALA CB . 18309 1 93 . 1 1 44 44 ALA N N 15 119.60 0.1 . 1 . . . . 24 ALA N . 18309 1 94 . 1 1 45 45 ALA H H 1 8.078 0.02 . 1 . . . . 25 ALA H . 18309 1 95 . 1 1 45 45 ALA CA C 13 55.33 0.1 . 1 . . . . 25 ALA CA . 18309 1 96 . 1 1 45 45 ALA CB C 13 19.50 0.1 . 1 . . . . 25 ALA CB . 18309 1 97 . 1 1 45 45 ALA N N 15 119.33 0.1 . 1 . . . . 25 ALA N . 18309 1 98 . 1 1 46 46 GLN H H 1 7.162 0.02 . 1 . . . . 26 GLN H . 18309 1 99 . 1 1 46 46 GLN CA C 13 58.65 0.1 . 1 . . . . 26 GLN CA . 18309 1 100 . 1 1 46 46 GLN CB C 13 28.44 0.1 . 1 . . . . 26 GLN CB . 18309 1 101 . 1 1 46 46 GLN N N 15 114.79 0.1 . 1 . . . . 26 GLN N . 18309 1 102 . 1 1 47 47 VAL H H 1 7.225 0.02 . 1 . . . . 27 VAL H . 18309 1 103 . 1 1 47 47 VAL CA C 13 66.23 0.1 . 1 . . . . 27 VAL CA . 18309 1 104 . 1 1 47 47 VAL CB C 13 32.20 0.1 . 1 . . . . 27 VAL CB . 18309 1 105 . 1 1 47 47 VAL N N 15 115.27 0.1 . 1 . . . . 27 VAL N . 18309 1 106 . 1 1 48 48 MET H H 1 8.184 0.02 . 1 . . . . 28 MET H . 18309 1 107 . 1 1 48 48 MET CA C 13 58.79 0.1 . 1 . . . . 28 MET CA . 18309 1 108 . 1 1 48 48 MET CB C 13 33.18 0.1 . 1 . . . . 28 MET CB . 18309 1 109 . 1 1 48 48 MET N N 15 116.23 0.1 . 1 . . . . 28 MET N . 18309 1 110 . 1 1 49 49 LYS H H 1 7.286 0.02 . 1 . . . . 29 LYS H . 18309 1 111 . 1 1 49 49 LYS CA C 13 58.13 0.1 . 1 . . . . 29 LYS CA . 18309 1 112 . 1 1 49 49 LYS CB C 13 32.41 0.1 . 1 . . . . 29 LYS CB . 18309 1 113 . 1 1 49 49 LYS N N 15 112.12 0.1 . 1 . . . . 29 LYS N . 18309 1 114 . 1 1 50 50 HIS H H 1 7.640 0.02 . 1 . . . . 30 HIS H . 18309 1 115 . 1 1 50 50 HIS CA C 13 55.81 0.1 . 1 . . . . 30 HIS CA . 18309 1 116 . 1 1 50 50 HIS CB C 13 30.24 0.1 . 1 . . . . 30 HIS CB . 18309 1 117 . 1 1 50 50 HIS N N 15 115.42 0.1 . 1 . . . . 30 HIS N . 18309 1 118 . 1 1 51 51 LEU H H 1 7.180 0.02 . 1 . . . . 31 LEU H . 18309 1 119 . 1 1 51 51 LEU CA C 13 53.49 0.1 . 1 . . . . 31 LEU CA . 18309 1 120 . 1 1 51 51 LEU CB C 13 44.00 0.1 . 1 . . . . 31 LEU CB . 18309 1 121 . 1 1 51 51 LEU N N 15 118.12 0.1 . 1 . . . . 31 LEU N . 18309 1 122 . 1 1 52 52 ASP H H 1 8.215 0.02 . 1 . . . . 32 ASP H . 18309 1 123 . 1 1 52 52 ASP CA C 13 53.75 0.1 . 1 . . . . 32 ASP CA . 18309 1 124 . 1 1 52 52 ASP CB C 13 40.98 0.1 . 1 . . . . 32 ASP CB . 18309 1 125 . 1 1 52 52 ASP N N 15 119.08 0.1 . 1 . . . . 32 ASP N . 18309 1 126 . 1 1 53 53 GLU H H 1 8.417 0.02 . 1 . . . . 33 GLU H . 18309 1 127 . 1 1 53 53 GLU CA C 13 60.61 0.1 . 1 . . . . 33 GLU CA . 18309 1 128 . 1 1 53 53 GLU CB C 13 30.08 0.1 . 1 . . . . 33 GLU CB . 18309 1 129 . 1 1 53 53 GLU N N 15 119.93 0.1 . 1 . . . . 33 GLU N . 18309 1 130 . 1 1 54 54 GLU H H 1 8.451 0.02 . 1 . . . . 34 GLU H . 18309 1 131 . 1 1 54 54 GLU CA C 13 59.58 0.1 . 1 . . . . 34 GLU CA . 18309 1 132 . 1 1 54 54 GLU CB C 13 29.64 0.1 . 1 . . . . 34 GLU CB . 18309 1 133 . 1 1 54 54 GLU N N 15 118.47 0.1 . 1 . . . . 34 GLU N . 18309 1 134 . 1 1 55 55 THR H H 1 8.175 0.02 . 1 . . . . 35 THR H . 18309 1 135 . 1 1 55 55 THR CA C 13 67.28 0.1 . 1 . . . . 35 THR CA . 18309 1 136 . 1 1 55 55 THR N N 15 118.29 0.1 . 1 . . . . 35 THR N . 18309 1 137 . 1 1 56 56 VAL H H 1 8.414 0.02 . 1 . . . . 36 VAL H . 18309 1 138 . 1 1 56 56 VAL CA C 13 68.14 0.1 . 1 . . . . 36 VAL CA . 18309 1 139 . 1 1 56 56 VAL CB C 13 31.98 0.1 . 1 . . . . 36 VAL CB . 18309 1 140 . 1 1 56 56 VAL N N 15 122.19 0.1 . 1 . . . . 36 VAL N . 18309 1 141 . 1 1 57 57 GLU H H 1 7.835 0.02 . 1 . . . . 37 GLU H . 18309 1 142 . 1 1 57 57 GLU CA C 13 60.67 0.1 . 1 . . . . 37 GLU CA . 18309 1 143 . 1 1 57 57 GLU CB C 13 29.67 0.1 . 1 . . . . 37 GLU CB . 18309 1 144 . 1 1 57 57 GLU N N 15 116.39 0.1 . 1 . . . . 37 GLU N . 18309 1 145 . 1 1 58 58 GLN H H 1 7.863 0.02 . 1 . . . . 38 GLN H . 18309 1 146 . 1 1 58 58 GLN CA C 13 59.12 0.1 . 1 . . . . 38 GLN CA . 18309 1 147 . 1 1 58 58 GLN CB C 13 28.82 0.1 . 1 . . . . 38 GLN CB . 18309 1 148 . 1 1 58 58 GLN N N 15 115.69 0.1 . 1 . . . . 38 GLN N . 18309 1 149 . 1 1 59 59 LEU H H 1 8.580 0.02 . 1 . . . . 39 LEU H . 18309 1 150 . 1 1 59 59 LEU CA C 13 57.68 0.1 . 1 . . . . 39 LEU CA . 18309 1 151 . 1 1 59 59 LEU CB C 13 41.79 0.1 . 1 . . . . 39 LEU CB . 18309 1 152 . 1 1 59 59 LEU N N 15 118.44 0.1 . 1 . . . . 39 LEU N . 18309 1 153 . 1 1 60 60 VAL H H 1 8.554 0.02 . 1 . . . . 40 VAL H . 18309 1 154 . 1 1 60 60 VAL CA C 13 67.99 0.1 . 1 . . . . 40 VAL CA . 18309 1 155 . 1 1 60 60 VAL CB C 13 30.89 0.1 . 1 . . . . 40 VAL CB . 18309 1 156 . 1 1 60 60 VAL N N 15 120.25 0.1 . 1 . . . . 40 VAL N . 18309 1 157 . 1 1 61 61 VAL H H 1 7.515 0.02 . 1 . . . . 41 VAL H . 18309 1 158 . 1 1 61 61 VAL CA C 13 66.89 0.1 . 1 . . . . 41 VAL CA . 18309 1 159 . 1 1 61 61 VAL N N 15 118.34 0.1 . 1 . . . . 41 VAL N . 18309 1 160 . 1 1 62 62 GLU H H 1 7.560 0.02 . 1 . . . . 42 GLU H . 18309 1 161 . 1 1 62 62 GLU CA C 13 59.02 0.1 . 1 . . . . 42 GLU CA . 18309 1 162 . 1 1 62 62 GLU CB C 13 30.12 0.1 . 1 . . . . 42 GLU CB . 18309 1 163 . 1 1 62 62 GLU N N 15 118.15 0.1 . 1 . . . . 42 GLU N . 18309 1 164 . 1 1 63 63 ILE H H 1 8.801 0.02 . 1 . . . . 43 ILE H . 18309 1 165 . 1 1 63 63 ILE CA C 13 66.05 0.1 . 1 . . . . 43 ILE CA . 18309 1 166 . 1 1 63 63 ILE CB C 13 38.65 0.1 . 1 . . . . 43 ILE CB . 18309 1 167 . 1 1 63 63 ILE N N 15 118.67 0.1 . 1 . . . . 43 ILE N . 18309 1 168 . 1 1 64 64 ALA H H 1 8.458 0.02 . 1 . . . . 44 ALA H . 18309 1 169 . 1 1 64 64 ALA CA C 13 54.76 0.1 . 1 . . . . 44 ALA CA . 18309 1 170 . 1 1 64 64 ALA CB C 13 18.13 0.1 . 1 . . . . 44 ALA CB . 18309 1 171 . 1 1 64 64 ALA N N 15 121.10 0.1 . 1 . . . . 44 ALA N . 18309 1 172 . 1 1 65 65 ASN H H 1 7.502 0.02 . 1 . . . . 45 ASN H . 18309 1 173 . 1 1 65 65 ASN CA C 13 53.55 0.1 . 1 . . . . 45 ASN CA . 18309 1 174 . 1 1 65 65 ASN CB C 13 40.20 0.1 . 1 . . . . 45 ASN CB . 18309 1 175 . 1 1 65 65 ASN N N 15 114.35 0.1 . 1 . . . . 45 ASN N . 18309 1 176 . 1 1 66 66 ILE H H 1 7.629 0.02 . 1 . . . . 46 ILE H . 18309 1 177 . 1 1 66 66 ILE CA C 13 62.19 0.1 . 1 . . . . 46 ILE CA . 18309 1 178 . 1 1 66 66 ILE CB C 13 39.34 0.1 . 1 . . . . 46 ILE CB . 18309 1 179 . 1 1 66 66 ILE N N 15 122.38 0.1 . 1 . . . . 46 ILE N . 18309 1 180 . 1 1 67 67 GLY CA C 13 45.45 0.1 . 1 . . . . 47 GLY CA . 18309 1 181 . 1 1 68 68 ARG H H 1 8.207 0.02 . 1 . . . . 48 ARG H . 18309 1 182 . 1 1 68 68 ARG CA C 13 56.24 0.1 . 1 . . . . 48 ARG CA . 18309 1 183 . 1 1 68 68 ARG CB C 13 31.09 0.1 . 1 . . . . 48 ARG CB . 18309 1 184 . 1 1 68 68 ARG N N 15 123.21 0.1 . 1 . . . . 48 ARG N . 18309 1 185 . 1 1 69 69 VAL H H 1 8.500 0.02 . 1 . . . . 49 VAL H . 18309 1 186 . 1 1 69 69 VAL CA C 13 61.69 0.1 . 1 . . . . 49 VAL CA . 18309 1 187 . 1 1 69 69 VAL CB C 13 33.16 0.1 . 1 . . . . 49 VAL CB . 18309 1 188 . 1 1 69 69 VAL N N 15 125.21 0.1 . 1 . . . . 49 VAL N . 18309 1 189 . 1 1 70 70 THR H H 1 8.871 0.02 . 1 . . . . 50 THR H . 18309 1 190 . 1 1 70 70 THR CA C 13 60.63 0.1 . 1 . . . . 50 THR CA . 18309 1 191 . 1 1 70 70 THR CB C 13 68.87 0.1 . 1 . . . . 50 THR CB . 18309 1 192 . 1 1 70 70 THR N N 15 119.43 0.1 . 1 . . . . 50 THR N . 18309 1 193 . 1 1 71 71 PRO CA C 13 65.81 0.1 . 1 . . . . 51 PRO CA . 18309 1 194 . 1 1 71 71 PRO CB C 13 31.87 0.1 . 1 . . . . 51 PRO CB . 18309 1 195 . 1 1 72 72 GLU H H 1 8.676 0.02 . 1 . . . . 52 GLU H . 18309 1 196 . 1 1 72 72 GLU CA C 13 60.55 0.1 . 1 . . . . 52 GLU CA . 18309 1 197 . 1 1 72 72 GLU CB C 13 28.95 0.1 . 1 . . . . 52 GLU CB . 18309 1 198 . 1 1 72 72 GLU N N 15 117.14 0.1 . 1 . . . . 52 GLU N . 18309 1 199 . 1 1 73 73 GLU H H 1 7.711 0.02 . 1 . . . . 53 GLU H . 18309 1 200 . 1 1 73 73 GLU CA C 13 59.59 0.1 . 1 . . . . 53 GLU CA . 18309 1 201 . 1 1 73 73 GLU CB C 13 29.98 0.1 . 1 . . . . 53 GLU CB . 18309 1 202 . 1 1 73 73 GLU N N 15 121.56 0.1 . 1 . . . . 53 GLU N . 18309 1 203 . 1 1 74 74 LYS H H 1 7.955 0.02 . 1 . . . . 54 LYS H . 18309 1 204 . 1 1 74 74 LYS CA C 13 60.59 0.1 . 1 . . . . 54 LYS CA . 18309 1 205 . 1 1 74 74 LYS CB C 13 32.69 0.1 . 1 . . . . 54 LYS CB . 18309 1 206 . 1 1 74 74 LYS N N 15 117.70 0.1 . 1 . . . . 54 LYS N . 18309 1 207 . 1 1 75 75 LYS H H 1 8.023 0.02 . 1 . . . . 55 LYS H . 18309 1 208 . 1 1 75 75 LYS CA C 13 60.17 0.1 . 1 . . . . 55 LYS CA . 18309 1 209 . 1 1 75 75 LYS CB C 13 32.64 0.1 . 1 . . . . 55 LYS CB . 18309 1 210 . 1 1 75 75 LYS N N 15 117.41 0.1 . 1 . . . . 55 LYS N . 18309 1 211 . 1 1 76 76 GLN H H 1 7.808 0.02 . 1 . . . . 56 GLN H . 18309 1 212 . 1 1 76 76 GLN CA C 13 59.19 0.1 . 1 . . . . 56 GLN CA . 18309 1 213 . 1 1 76 76 GLN CB C 13 28.64 0.1 . 1 . . . . 56 GLN CB . 18309 1 214 . 1 1 76 76 GLN N N 15 117.74 0.1 . 1 . . . . 56 GLN N . 18309 1 215 . 1 1 77 77 VAL H H 1 7.978 0.02 . 1 . . . . 57 VAL H . 18309 1 216 . 1 1 77 77 VAL CA C 13 66.59 0.1 . 1 . . . . 57 VAL CA . 18309 1 217 . 1 1 77 77 VAL CB C 13 31.94 0.1 . 1 . . . . 57 VAL CB . 18309 1 218 . 1 1 77 77 VAL N N 15 118.84 0.1 . 1 . . . . 57 VAL N . 18309 1 219 . 1 1 82 82 LEU CA C 13 56.36 0.1 . 1 . . . . 62 LEU CA . 18309 1 220 . 1 1 82 82 LEU CB C 13 42.07 0.1 . 1 . . . . 62 LEU CB . 18309 1 221 . 1 1 83 83 SER H H 1 7.849 0.02 . 1 . . . . 63 SER H . 18309 1 222 . 1 1 83 83 SER CA C 13 60.60 0.1 . 1 . . . . 63 SER CA . 18309 1 223 . 1 1 83 83 SER CB C 13 63.08 0.1 . 1 . . . . 63 SER CB . 18309 1 224 . 1 1 83 83 SER N N 15 113.80 0.1 . 1 . . . . 63 SER N . 18309 1 225 . 1 1 84 84 LEU H H 1 7.802 0.02 . 1 . . . . 64 LEU H . 18309 1 226 . 1 1 84 84 LEU CA C 13 56.82 0.1 . 1 . . . . 64 LEU CA . 18309 1 227 . 1 1 84 84 LEU CB C 13 42.11 0.1 . 1 . . . . 64 LEU CB . 18309 1 228 . 1 1 84 84 LEU N N 15 122.14 0.1 . 1 . . . . 64 LEU N . 18309 1 229 . 1 1 85 85 ALA H H 1 7.788 0.02 . 1 . . . . 65 ALA H . 18309 1 230 . 1 1 85 85 ALA CA C 13 53.08 0.1 . 1 . . . . 65 ALA CA . 18309 1 231 . 1 1 85 85 ALA CB C 13 18.75 0.1 . 1 . . . . 65 ALA CB . 18309 1 232 . 1 1 85 85 ALA N N 15 120.14 0.1 . 1 . . . . 65 ALA N . 18309 1 233 . 1 1 86 86 LYS H H 1 7.676 0.02 . 1 . . . . 66 LYS H . 18309 1 234 . 1 1 86 86 LYS CA C 13 56.74 0.1 . 1 . . . . 66 LYS CA . 18309 1 235 . 1 1 86 86 LYS CB C 13 32.75 0.1 . 1 . . . . 66 LYS CB . 18309 1 236 . 1 1 86 86 LYS N N 15 117.66 0.1 . 1 . . . . 66 LYS N . 18309 1 237 . 1 1 87 87 ALA H H 1 7.807 0.02 . 1 . . . . 67 ALA H . 18309 1 238 . 1 1 87 87 ALA CA C 13 53.30 0.1 . 1 . . . . 67 ALA CA . 18309 1 239 . 1 1 87 87 ALA CB C 13 19.20 0.1 . 1 . . . . 67 ALA CB . 18309 1 240 . 1 1 87 87 ALA N N 15 122.94 0.1 . 1 . . . . 67 ALA N . 18309 1 241 . 1 1 88 88 LYS H H 1 8.064 0.02 . 1 . . . . 68 LYS H . 18309 1 242 . 1 1 88 88 LYS CA C 13 57.18 0.1 . 1 . . . . 68 LYS CA . 18309 1 243 . 1 1 88 88 LYS CB C 13 32.90 0.1 . 1 . . . . 68 LYS CB . 18309 1 244 . 1 1 88 88 LYS N N 15 118.87 0.1 . 1 . . . . 68 LYS N . 18309 1 245 . 1 1 89 89 GLU H H 1 8.202 0.02 . 1 . . . . 69 GLU H . 18309 1 246 . 1 1 89 89 GLU CA C 13 53.71 0.1 . 1 . . . . 69 GLU CA . 18309 1 247 . 1 1 89 89 GLU CB C 13 30.16 0.1 . 1 . . . . 69 GLU CB . 18309 1 248 . 1 1 89 89 GLU N N 15 119.18 0.1 . 1 . . . . 69 GLU N . 18309 1 249 . 1 1 90 90 MET CA C 13 55.37 0.1 . 1 . . . . 70 MET CA . 18309 1 250 . 1 1 90 90 MET CB C 13 33.47 0.1 . 1 . . . . 70 MET CB . 18309 1 251 . 1 1 91 91 ILE H H 1 8.209 0.02 . 1 . . . . 71 ILE H . 18309 1 252 . 1 1 91 91 ILE CA C 13 61.39 0.1 . 1 . . . . 71 ILE CA . 18309 1 253 . 1 1 91 91 ILE CB C 13 38.74 0.1 . 1 . . . . 71 ILE CB . 18309 1 254 . 1 1 91 91 ILE N N 15 122.19 0.1 . 1 . . . . 71 ILE N . 18309 1 255 . 1 1 92 92 SER H H 1 8.378 0.02 . 1 . . . . 72 SER H . 18309 1 256 . 1 1 92 92 SER CA C 13 58.15 0.1 . 1 . . . . 72 SER CA . 18309 1 257 . 1 1 92 92 SER CB C 13 64.64 0.1 . 1 . . . . 72 SER CB . 18309 1 258 . 1 1 92 92 SER N N 15 121.42 0.1 . 1 . . . . 72 SER N . 18309 1 259 . 1 1 93 93 GLU H H 1 8.116 0.02 . 1 . . . . 73 GLU H . 18309 1 260 . 1 1 93 93 GLU CA C 13 55.72 0.1 . 1 . . . . 73 GLU CA . 18309 1 261 . 1 1 93 93 GLU CB C 13 32.50 0.1 . 1 . . . . 73 GLU CB . 18309 1 262 . 1 1 93 93 GLU N N 15 122.73 0.1 . 1 . . . . 73 GLU N . 18309 1 263 . 1 1 94 94 GLY H H 1 8.026 0.02 . 1 . . . . 74 GLY H . 18309 1 264 . 1 1 94 94 GLY CA C 13 44.51 0.1 . 1 . . . . 74 GLY CA . 18309 1 265 . 1 1 94 94 GLY N N 15 108.49 0.1 . 1 . . . . 74 GLY N . 18309 1 266 . 1 1 95 95 GLY H H 1 7.920 0.02 . 1 . . . . 75 GLY H . 18309 1 267 . 1 1 95 95 GLY CA C 13 44.49 0.1 . 1 . . . . 75 GLY CA . 18309 1 268 . 1 1 95 95 GLY N N 15 110.17 0.1 . 1 . . . . 75 GLY N . 18309 1 269 . 1 1 96 96 ILE H H 1 8.909 0.02 . 1 . . . . 76 ILE H . 18309 1 270 . 1 1 96 96 ILE CA C 13 63.30 0.1 . 1 . . . . 76 ILE CA . 18309 1 271 . 1 1 96 96 ILE CB C 13 38.30 0.1 . 1 . . . . 76 ILE CB . 18309 1 272 . 1 1 96 96 ILE N N 15 121.47 0.1 . 1 . . . . 76 ILE N . 18309 1 273 . 1 1 97 97 GLU H H 1 8.690 0.02 . 1 . . . . 77 GLU H . 18309 1 274 . 1 1 97 97 GLU CA C 13 59.65 0.1 . 1 . . . . 77 GLU CA . 18309 1 275 . 1 1 97 97 GLU CB C 13 28.61 0.1 . 1 . . . . 77 GLU CB . 18309 1 276 . 1 1 97 97 GLU N N 15 120.38 0.1 . 1 . . . . 77 GLU N . 18309 1 277 . 1 1 98 98 TYR H H 1 7.378 0.02 . 1 . . . . 78 TYR H . 18309 1 278 . 1 1 98 98 TYR CA C 13 62.10 0.1 . 1 . . . . 78 TYR CA . 18309 1 279 . 1 1 98 98 TYR CB C 13 38.36 0.1 . 1 . . . . 78 TYR CB . 18309 1 280 . 1 1 98 98 TYR N N 15 120.81 0.1 . 1 . . . . 78 TYR N . 18309 1 281 . 1 1 99 99 ALA H H 1 8.017 0.02 . 1 . . . . 79 ALA H . 18309 1 282 . 1 1 99 99 ALA CA C 13 55.71 0.1 . 1 . . . . 79 ALA CA . 18309 1 283 . 1 1 99 99 ALA CB C 13 17.83 0.1 . 1 . . . . 79 ALA CB . 18309 1 284 . 1 1 99 99 ALA N N 15 118.79 0.1 . 1 . . . . 79 ALA N . 18309 1 285 . 1 1 100 100 LYS H H 1 8.586 0.02 . 1 . . . . 80 LYS H . 18309 1 286 . 1 1 100 100 LYS CA C 13 61.04 0.1 . 1 . . . . 80 LYS CA . 18309 1 287 . 1 1 100 100 LYS CB C 13 32.69 0.1 . 1 . . . . 80 LYS CB . 18309 1 288 . 1 1 100 100 LYS N N 15 116.26 0.1 . 1 . . . . 80 LYS N . 18309 1 289 . 1 1 101 101 LYS H H 1 7.490 0.02 . 1 . . . . 81 LYS H . 18309 1 290 . 1 1 101 101 LYS CA C 13 59.36 0.1 . 1 . . . . 81 LYS CA . 18309 1 291 . 1 1 101 101 LYS CB C 13 32.45 0.1 . 1 . . . . 81 LYS CB . 18309 1 292 . 1 1 101 101 LYS N N 15 118.72 0.1 . 1 . . . . 81 LYS N . 18309 1 293 . 1 1 102 102 VAL H H 1 7.842 0.02 . 1 . . . . 82 VAL H . 18309 1 294 . 1 1 102 102 VAL CA C 13 66.65 0.1 . 1 . . . . 82 VAL CA . 18309 1 295 . 1 1 102 102 VAL CB C 13 31.79 0.1 . 1 . . . . 82 VAL CB . 18309 1 296 . 1 1 102 102 VAL N N 15 118.04 0.1 . 1 . . . . 82 VAL N . 18309 1 297 . 1 1 103 103 LEU H H 1 8.433 0.02 . 1 . . . . 83 LEU H . 18309 1 298 . 1 1 103 103 LEU CA C 13 57.88 0.1 . 1 . . . . 83 LEU CA . 18309 1 299 . 1 1 103 103 LEU CB C 13 43.55 0.1 . 1 . . . . 83 LEU CB . 18309 1 300 . 1 1 103 103 LEU N N 15 117.80 0.1 . 1 . . . . 83 LEU N . 18309 1 301 . 1 1 104 104 GLU H H 1 8.579 0.02 . 1 . . . . 84 GLU H . 18309 1 302 . 1 1 104 104 GLU CA C 13 59.93 0.1 . 1 . . . . 84 GLU CA . 18309 1 303 . 1 1 104 104 GLU CB C 13 29.30 0.1 . 1 . . . . 84 GLU CB . 18309 1 304 . 1 1 104 104 GLU N N 15 119.50 0.1 . 1 . . . . 84 GLU N . 18309 1 305 . 1 1 105 105 LYS H H 1 7.512 0.02 . 1 . . . . 85 LYS H . 18309 1 306 . 1 1 105 105 LYS CA C 13 58.61 0.1 . 1 . . . . 85 LYS CA . 18309 1 307 . 1 1 105 105 LYS CB C 13 32.58 0.1 . 1 . . . . 85 LYS CB . 18309 1 308 . 1 1 105 105 LYS N N 15 119.07 0.1 . 1 . . . . 85 LYS N . 18309 1 309 . 1 1 106 106 ALA H H 1 8.089 0.02 . 1 . . . . 86 ALA H . 18309 1 310 . 1 1 106 106 ALA CA C 13 54.80 0.1 . 1 . . . . 86 ALA CA . 18309 1 311 . 1 1 106 106 ALA CB C 13 19.08 0.1 . 1 . . . . 86 ALA CB . 18309 1 312 . 1 1 106 106 ALA N N 15 120.28 0.1 . 1 . . . . 86 ALA N . 18309 1 313 . 1 1 107 107 PHE H H 1 8.322 0.02 . 1 . . . . 87 PHE H . 18309 1 314 . 1 1 107 107 PHE CA C 13 56.62 0.1 . 1 . . . . 87 PHE CA . 18309 1 315 . 1 1 107 107 PHE CB C 13 42.66 0.1 . 1 . . . . 87 PHE CB . 18309 1 316 . 1 1 107 107 PHE N N 15 110.91 0.1 . 1 . . . . 87 PHE N . 18309 1 317 . 1 1 108 108 GLY H H 1 7.754 0.02 . 1 . . . . 88 GLY H . 18309 1 318 . 1 1 108 108 GLY CA C 13 44.49 0.1 . 1 . . . . 88 GLY CA . 18309 1 319 . 1 1 108 108 GLY N N 15 110.87 0.1 . 1 . . . . 88 GLY N . 18309 1 320 . 1 1 109 109 PRO CA C 13 65.88 0.1 . 1 . . . . 89 PRO CA . 18309 1 321 . 1 1 109 109 PRO CB C 13 32.21 0.1 . 1 . . . . 89 PRO CB . 18309 1 322 . 1 1 110 110 GLU H H 1 8.248 0.02 . 1 . . . . 90 GLU H . 18309 1 323 . 1 1 110 110 GLU CA C 13 60.12 0.1 . 1 . . . . 90 GLU CA . 18309 1 324 . 1 1 110 110 GLU CB C 13 29.17 0.1 . 1 . . . . 90 GLU CB . 18309 1 325 . 1 1 110 110 GLU N N 15 119.37 0.1 . 1 . . . . 90 GLU N . 18309 1 326 . 1 1 111 111 ARG H H 1 8.758 0.02 . 1 . . . . 91 ARG H . 18309 1 327 . 1 1 111 111 ARG CA C 13 58.84 0.1 . 1 . . . . 91 ARG CA . 18309 1 328 . 1 1 111 111 ARG CB C 13 29.69 0.1 . 1 . . . . 91 ARG CB . 18309 1 329 . 1 1 111 111 ARG N N 15 120.22 0.1 . 1 . . . . 91 ARG N . 18309 1 330 . 1 1 112 112 ALA H H 1 7.874 0.02 . 1 . . . . 92 ALA H . 18309 1 331 . 1 1 112 112 ALA CA C 13 55.93 0.1 . 1 . . . . 92 ALA CA . 18309 1 332 . 1 1 112 112 ALA CB C 13 19.79 0.1 . 1 . . . . 92 ALA CB . 18309 1 333 . 1 1 112 112 ALA N N 15 118.20 0.1 . 1 . . . . 92 ALA N . 18309 1 334 . 1 1 113 113 ARG H H 1 7.725 0.02 . 1 . . . . 93 ARG H . 18309 1 335 . 1 1 113 113 ARG CA C 13 59.59 0.1 . 1 . . . . 93 ARG CA . 18309 1 336 . 1 1 113 113 ARG CB C 13 29.84 0.1 . 1 . . . . 93 ARG CB . 18309 1 337 . 1 1 113 113 ARG N N 15 115.91 0.1 . 1 . . . . 93 ARG N . 18309 1 338 . 1 1 114 114 LYS H H 1 7.519 0.02 . 1 . . . . 94 LYS H . 18309 1 339 . 1 1 114 114 LYS CA C 13 59.11 0.1 . 1 . . . . 94 LYS CA . 18309 1 340 . 1 1 114 114 LYS CB C 13 32.25 0.1 . 1 . . . . 94 LYS CB . 18309 1 341 . 1 1 114 114 LYS N N 15 118.15 0.1 . 1 . . . . 94 LYS N . 18309 1 342 . 1 1 115 115 ILE H H 1 7.890 0.02 . 1 . . . . 95 ILE H . 18309 1 343 . 1 1 115 115 ILE CA C 13 65.43 0.1 . 1 . . . . 95 ILE CA . 18309 1 344 . 1 1 115 115 ILE CB C 13 38.50 0.1 . 1 . . . . 95 ILE CB . 18309 1 345 . 1 1 115 115 ILE N N 15 119.24 0.1 . 1 . . . . 95 ILE N . 18309 1 346 . 1 1 116 116 ILE H H 1 7.908 0.02 . 1 . . . . 96 ILE H . 18309 1 347 . 1 1 116 116 ILE CA C 13 63.35 0.1 . 1 . . . . 96 ILE CA . 18309 1 348 . 1 1 116 116 ILE CB C 13 36.50 0.1 . 1 . . . . 96 ILE CB . 18309 1 349 . 1 1 116 116 ILE N N 15 118.10 0.1 . 1 . . . . 96 ILE N . 18309 1 350 . 1 1 117 117 GLU H H 1 8.514 0.02 . 1 . . . . 97 GLU H . 18309 1 351 . 1 1 117 117 GLU CA C 13 59.55 0.1 . 1 . . . . 97 GLU CA . 18309 1 352 . 1 1 117 117 GLU CB C 13 29.64 0.1 . 1 . . . . 97 GLU CB . 18309 1 353 . 1 1 117 117 GLU N N 15 120.94 0.1 . 1 . . . . 97 GLU N . 18309 1 354 . 1 1 118 118 ARG H H 1 7.520 0.02 . 1 . . . . 98 ARG H . 18309 1 355 . 1 1 118 118 ARG CA C 13 58.48 0.1 . 1 . . . . 98 ARG CA . 18309 1 356 . 1 1 118 118 ARG CB C 13 30.18 0.1 . 1 . . . . 98 ARG CB . 18309 1 357 . 1 1 118 118 ARG N N 15 118.04 0.1 . 1 . . . . 98 ARG N . 18309 1 358 . 1 1 119 119 LEU H H 1 7.658 0.02 . 1 . . . . 99 LEU H . 18309 1 359 . 1 1 119 119 LEU CA C 13 56.34 0.1 . 1 . . . . 99 LEU CA . 18309 1 360 . 1 1 119 119 LEU CB C 13 42.84 0.1 . 1 . . . . 99 LEU CB . 18309 1 361 . 1 1 119 119 LEU N N 15 117.69 0.1 . 1 . . . . 99 LEU N . 18309 1 362 . 1 1 120 120 THR H H 1 7.744 0.02 . 1 . . . . 100 THR H . 18309 1 363 . 1 1 120 120 THR CA C 13 61.98 0.1 . 1 . . . . 100 THR CA . 18309 1 364 . 1 1 120 120 THR CB C 13 70.28 0.1 . 1 . . . . 100 THR CB . 18309 1 365 . 1 1 120 120 THR N N 15 109.46 0.1 . 1 . . . . 100 THR N . 18309 1 366 . 1 1 121 121 SER H H 1 7.845 0.02 . 1 . . . . 101 SER H . 18309 1 367 . 1 1 121 121 SER CA C 13 58.65 0.1 . 1 . . . . 101 SER CA . 18309 1 368 . 1 1 121 121 SER CB C 13 64.24 0.1 . 1 . . . . 101 SER CB . 18309 1 369 . 1 1 121 121 SER N N 15 117.67 0.1 . 1 . . . . 101 SER N . 18309 1 370 . 1 1 122 122 SER H H 1 7.887 0.02 . 1 . . . . 102 SER H . 18309 1 371 . 1 1 122 122 SER CA C 13 60.15 0.1 . 1 . . . . 102 SER CA . 18309 1 372 . 1 1 122 122 SER CB C 13 64.97 0.1 . 1 . . . . 102 SER CB . 18309 1 373 . 1 1 122 122 SER N N 15 123.01 0.1 . 1 . . . . 102 SER N . 18309 1 stop_ save_