data_34249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34249 _Entry.Title ; FLN5 (full length) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-27 _Entry.Accession_date 2018-03-27 _Entry.Last_release_date 2019-04-01 _Entry.Original_release_date 2019-04-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34249 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Waudby C. A. . . 34249 2 T. Wlodarski T. . . . 34249 3 M. Karyadi M. E. . . 34249 4 A. Cassaignau A. M.E. . . 34249 5 S. Chan S. H.S. . . 34249 6 A. Wentink A. S. . . 34249 7 J. Schmidt-Engler J. M. . . 34249 8 C. Camilloni C. . . . 34249 9 M. Vendruscolo M. . . . 34249 10 L. Cabrita L. D. . . 34249 11 J. Christodoulou J. . . . 34249 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FILAMIN . 34249 'GELATION FACTOR' . 34249 'STRUCTURAL PROTEIN' . 34249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 34249 '15N chemical shifts' 94 34249 '1H chemical shifts' 196 34249 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 . . 2019-04-03 . original BMRB . 34249 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6G4A . 34249 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34249 _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 ; Mapping energy landscapes of a growing filamin domain reveals an intermediate associated with proline isomerization during biosynthesis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Waudby C. A. . . 34249 1 2 T. Wlodarski T. . . . 34249 1 3 M. Karyadi M. E. . . 34249 1 4 A. Cassaignau A. M.E. . . 34249 1 5 S. Chan S. H.S. . . 34249 1 6 A. Wentink A. S. . . 34249 1 7 J. Schmidt-Engler J. M. . . 34249 1 8 C. Camilloni C. . . . 34249 1 9 M. Vendruscolo M. . . . 34249 1 10 L. Cabrita L. D. . . 34249 1 11 J. Christodoulou J. . . . 34249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34249 _Assembly.ID 1 _Assembly.Name 'Gelation factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHASKPAPSAEHSYA EGEGLVKVFDNAPAEFTIFA VDTKGVARTDGGDPFEVAIN GPDGLVVDAKVTDNNDGTYG VVYDAPVEGNYNVNVTLRGN PIKNMPIDVKCIEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12167.383 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ABP-120 na 34249 1 'Actin-binding protein 120' na 34249 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 . 34249 1 2 . HIS . 34249 1 3 . HIS . 34249 1 4 . HIS . 34249 1 5 . HIS . 34249 1 6 . HIS . 34249 1 7 . HIS . 34249 1 8 . ALA . 34249 1 9 . SER . 34249 1 10 . LYS . 34249 1 11 . PRO . 34249 1 12 . ALA . 34249 1 13 . PRO . 34249 1 14 . SER . 34249 1 15 . ALA . 34249 1 16 . GLU . 34249 1 17 . HIS . 34249 1 18 . SER . 34249 1 19 . TYR . 34249 1 20 . ALA . 34249 1 21 . GLU . 34249 1 22 . GLY . 34249 1 23 . GLU . 34249 1 24 . GLY . 34249 1 25 . LEU . 34249 1 26 . VAL . 34249 1 27 . LYS . 34249 1 28 . VAL . 34249 1 29 . PHE . 34249 1 30 . ASP . 34249 1 31 . ASN . 34249 1 32 . ALA . 34249 1 33 . PRO . 34249 1 34 . ALA . 34249 1 35 . GLU . 34249 1 36 . PHE . 34249 1 37 . THR . 34249 1 38 . ILE . 34249 1 39 . PHE . 34249 1 40 . ALA . 34249 1 41 . VAL . 34249 1 42 . ASP . 34249 1 43 . THR . 34249 1 44 . LYS . 34249 1 45 . GLY . 34249 1 46 . VAL . 34249 1 47 . ALA . 34249 1 48 . ARG . 34249 1 49 . THR . 34249 1 50 . ASP . 34249 1 51 . GLY . 34249 1 52 . GLY . 34249 1 53 . ASP . 34249 1 54 . PRO . 34249 1 55 . PHE . 34249 1 56 . GLU . 34249 1 57 . VAL . 34249 1 58 . ALA . 34249 1 59 . ILE . 34249 1 60 . ASN . 34249 1 61 . GLY . 34249 1 62 . PRO . 34249 1 63 . ASP . 34249 1 64 . GLY . 34249 1 65 . LEU . 34249 1 66 . VAL . 34249 1 67 . VAL . 34249 1 68 . ASP . 34249 1 69 . ALA . 34249 1 70 . LYS . 34249 1 71 . VAL . 34249 1 72 . THR . 34249 1 73 . ASP . 34249 1 74 . ASN . 34249 1 75 . ASN . 34249 1 76 . ASP . 34249 1 77 . GLY . 34249 1 78 . THR . 34249 1 79 . TYR . 34249 1 80 . GLY . 34249 1 81 . VAL . 34249 1 82 . VAL . 34249 1 83 . TYR . 34249 1 84 . ASP . 34249 1 85 . ALA . 34249 1 86 . PRO . 34249 1 87 . VAL . 34249 1 88 . GLU . 34249 1 89 . GLY . 34249 1 90 . ASN . 34249 1 91 . TYR . 34249 1 92 . ASN . 34249 1 93 . VAL . 34249 1 94 . ASN . 34249 1 95 . VAL . 34249 1 96 . THR . 34249 1 97 . LEU . 34249 1 98 . ARG . 34249 1 99 . GLY . 34249 1 100 . ASN . 34249 1 101 . PRO . 34249 1 102 . ILE . 34249 1 103 . LYS . 34249 1 104 . ASN . 34249 1 105 . MET . 34249 1 106 . PRO . 34249 1 107 . ILE . 34249 1 108 . ASP . 34249 1 109 . VAL . 34249 1 110 . LYS . 34249 1 111 . CYS . 34249 1 112 . ILE . 34249 1 113 . GLU . 34249 1 114 . GLY . 34249 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 34249 1 . HIS 2 2 34249 1 . HIS 3 3 34249 1 . HIS 4 4 34249 1 . HIS 5 5 34249 1 . HIS 6 6 34249 1 . HIS 7 7 34249 1 . ALA 8 8 34249 1 . SER 9 9 34249 1 . LYS 10 10 34249 1 . PRO 11 11 34249 1 . ALA 12 12 34249 1 . PRO 13 13 34249 1 . SER 14 14 34249 1 . ALA 15 15 34249 1 . GLU 16 16 34249 1 . HIS 17 17 34249 1 . SER 18 18 34249 1 . TYR 19 19 34249 1 . ALA 20 20 34249 1 . GLU 21 21 34249 1 . GLY 22 22 34249 1 . GLU 23 23 34249 1 . GLY 24 24 34249 1 . LEU 25 25 34249 1 . VAL 26 26 34249 1 . LYS 27 27 34249 1 . VAL 28 28 34249 1 . PHE 29 29 34249 1 . ASP 30 30 34249 1 . ASN 31 31 34249 1 . ALA 32 32 34249 1 . PRO 33 33 34249 1 . ALA 34 34 34249 1 . GLU 35 35 34249 1 . PHE 36 36 34249 1 . THR 37 37 34249 1 . ILE 38 38 34249 1 . PHE 39 39 34249 1 . ALA 40 40 34249 1 . VAL 41 41 34249 1 . ASP 42 42 34249 1 . THR 43 43 34249 1 . LYS 44 44 34249 1 . GLY 45 45 34249 1 . VAL 46 46 34249 1 . ALA 47 47 34249 1 . ARG 48 48 34249 1 . THR 49 49 34249 1 . ASP 50 50 34249 1 . GLY 51 51 34249 1 . GLY 52 52 34249 1 . ASP 53 53 34249 1 . PRO 54 54 34249 1 . PHE 55 55 34249 1 . GLU 56 56 34249 1 . VAL 57 57 34249 1 . ALA 58 58 34249 1 . ILE 59 59 34249 1 . ASN 60 60 34249 1 . GLY 61 61 34249 1 . PRO 62 62 34249 1 . ASP 63 63 34249 1 . GLY 64 64 34249 1 . LEU 65 65 34249 1 . VAL 66 66 34249 1 . VAL 67 67 34249 1 . ASP 68 68 34249 1 . ALA 69 69 34249 1 . LYS 70 70 34249 1 . VAL 71 71 34249 1 . THR 72 72 34249 1 . ASP 73 73 34249 1 . ASN 74 74 34249 1 . ASN 75 75 34249 1 . ASP 76 76 34249 1 . GLY 77 77 34249 1 . THR 78 78 34249 1 . TYR 79 79 34249 1 . GLY 80 80 34249 1 . VAL 81 81 34249 1 . VAL 82 82 34249 1 . TYR 83 83 34249 1 . ASP 84 84 34249 1 . ALA 85 85 34249 1 . PRO 86 86 34249 1 . VAL 87 87 34249 1 . GLU 88 88 34249 1 . GLY 89 89 34249 1 . ASN 90 90 34249 1 . TYR 91 91 34249 1 . ASN 92 92 34249 1 . VAL 93 93 34249 1 . ASN 94 94 34249 1 . VAL 95 95 34249 1 . THR 96 96 34249 1 . LEU 97 97 34249 1 . ARG 98 98 34249 1 . GLY 99 99 34249 1 . ASN 100 100 34249 1 . PRO 101 101 34249 1 . ILE 102 102 34249 1 . LYS 103 103 34249 1 . ASN 104 104 34249 1 . MET 105 105 34249 1 . PRO 106 106 34249 1 . ILE 107 107 34249 1 . ASP 108 108 34249 1 . VAL 109 109 34249 1 . LYS 110 110 34249 1 . CYS 111 111 34249 1 . ILE 112 112 34249 1 . GLU 113 113 34249 1 . GLY 114 114 34249 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 34249 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 44689 organism . 'Dictyostelium discoideum' 'Slime mold' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . 'abpC, DDB_G0269100' . 34249 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 34249 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34249 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34249 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 200 uM [U-13C; U-15N] FLN5, 10 mM HEPES, 30 mM ammonium chloride, 12 mM magnesium chloride, 2 mM beta-mercaptoethanol, 1 mM EDTA, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FLN5 '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 34249 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 34249 1 3 'ammonium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 34249 1 4 'magnesium chloride' 'natural abundance' . . . . . . 12 . . mM . . . . 34249 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 34249 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 34249 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 34249 _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' 158 . mM 34249 1 pH 7.5 . pH 34249 1 pressure 1 . atm 34249 1 temperature 283 . K 34249 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34249 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34249 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34249 _Software.ID 2 _Software.Type . _Software.Name GROMACS _Software.Version 4.6.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID http://www.gromacs.org/ . . 34249 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34249 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34249 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34249 _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 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 34249 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 34249 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34249 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34249 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34249 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34249 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34249 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34249 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34249 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34249 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34249 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34249 1 2 '3D HNCO' . . . 34249 1 3 '3D HNHA' . . . 34249 1 4 '3D HN(COCA)CB' . . . 34249 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 ALA HA H 1 4.310 . . 1 . . 818 . A 8 ALA HA . 34249 1 2 . 1 1 8 8 ALA C C 13 177.645 . . 1 . . 817 . A 8 ALA C . 34249 1 3 . 1 1 8 8 ALA CA C 13 52.613 . . 1 . . 815 . A 8 ALA CA . 34249 1 4 . 1 1 8 8 ALA CB C 13 19.267 . . 1 . . 816 . A 8 ALA CB . 34249 1 5 . 1 1 9 9 SER H H 1 8.418 0.002 . 1 . . 814 . A 9 SER H . 34249 1 6 . 1 1 9 9 SER N N 15 115.542 0.003 . 1 . . 813 . A 9 SER N . 34249 1 7 . 1 1 11 11 PRO HA H 1 4.298 . . 1 . . 530 . A 11 PRO HA . 34249 1 8 . 1 1 11 11 PRO C C 13 174.887 . . 1 . . 436 . A 11 PRO C . 34249 1 9 . 1 1 11 11 PRO CA C 13 63.616 . . 1 . . 528 . A 11 PRO CA . 34249 1 10 . 1 1 11 11 PRO CB C 13 33.168 . . 1 . . 529 . A 11 PRO CB . 34249 1 11 . 1 1 12 12 ALA H H 1 8.730 0.002 . 1 . . 91 . A 12 ALA H . 34249 1 12 . 1 1 12 12 ALA N N 15 125.994 0.013 . 1 . . 90 . A 12 ALA N . 34249 1 13 . 1 1 13 13 PRO HA H 1 4.258 . . 1 . . 533 . A 13 PRO HA . 34249 1 14 . 1 1 13 13 PRO C C 13 174.846 . . 1 . . 437 . A 13 PRO C . 34249 1 15 . 1 1 13 13 PRO CA C 13 62.421 . . 1 . . 531 . A 13 PRO CA . 34249 1 16 . 1 1 13 13 PRO CB C 13 31.694 . . 1 . . 532 . A 13 PRO CB . 34249 1 17 . 1 1 14 14 SER H H 1 9.116 0.003 . 1 . . 10 . A 14 SER H . 34249 1 18 . 1 1 14 14 SER N N 15 112.773 0.005 . 1 . . 9 . A 14 SER N . 34249 1 19 . 1 1 15 15 ALA HA H 1 4.133 . . 1 . . 536 . A 15 ALA HA . 34249 1 20 . 1 1 15 15 ALA C C 13 176.991 . . 1 . . 438 . A 15 ALA C . 34249 1 21 . 1 1 15 15 ALA CA C 13 55.312 . . 1 . . 534 . A 15 ALA CA . 34249 1 22 . 1 1 15 15 ALA CB C 13 17.967 . . 1 . . 535 . A 15 ALA CB . 34249 1 23 . 1 1 16 16 GLU H H 1 7.951 0.002 . 1 . . 106 . A 16 GLU H . 34249 1 24 . 1 1 16 16 GLU HA H 1 3.967 . . 1 . . 538 . A 16 GLU HA . 34249 1 25 . 1 1 16 16 GLU C C 13 177.458 . . 1 . . 439 . A 16 GLU C . 34249 1 26 . 1 1 16 16 GLU CA C 13 58.689 . . 1 . . 537 . A 16 GLU CA . 34249 1 27 . 1 1 16 16 GLU CB C 13 29.465 . . 1 . . 539 . A 16 GLU CB . 34249 1 28 . 1 1 16 16 GLU N N 15 114.262 0.007 . 1 . . 105 . A 16 GLU N . 34249 1 29 . 1 1 17 17 HIS H H 1 7.053 0.005 . 1 . . 222 . A 17 HIS H . 34249 1 30 . 1 1 17 17 HIS HA H 1 4.814 . . 1 . . 542 . A 17 HIS HA . 34249 1 31 . 1 1 17 17 HIS C C 13 177.131 . . 1 . . 440 . A 17 HIS C . 34249 1 32 . 1 1 17 17 HIS CA C 13 56.732 . . 1 . . 540 . A 17 HIS CA . 34249 1 33 . 1 1 17 17 HIS CB C 13 33.905 . . 1 . . 541 . A 17 HIS CB . 34249 1 34 . 1 1 17 17 HIS N N 15 111.572 0.005 . 1 . . 221 . A 17 HIS N . 34249 1 35 . 1 1 18 18 SER H H 1 7.634 0.003 . 1 . . 151 . A 18 SER H . 34249 1 36 . 1 1 18 18 SER HA H 1 4.941 . . 1 . . 545 . A 18 SER HA . 34249 1 37 . 1 1 18 18 SER C C 13 170.316 . . 1 . . 441 . A 18 SER C . 34249 1 38 . 1 1 18 18 SER CA C 13 61.884 . . 1 . . 544 . A 18 SER CA . 34249 1 39 . 1 1 18 18 SER CB C 13 64.539 . . 1 . . 543 . A 18 SER CB . 34249 1 40 . 1 1 18 18 SER N N 15 117.259 0.009 . 1 . . 150 . A 18 SER N . 34249 1 41 . 1 1 19 19 TYR H H 1 8.432 0.003 . 1 . . 12 . A 19 TYR H . 34249 1 42 . 1 1 19 19 TYR HA H 1 5.006 . . 1 . . 549 . A 19 TYR HA . 34249 1 43 . 1 1 19 19 TYR C C 13 170.885 . . 1 . . 442 . A 19 TYR C . 34249 1 44 . 1 1 19 19 TYR CA C 13 56.299 . . 1 . . 547 . A 19 TYR CA . 34249 1 45 . 1 1 19 19 TYR CB C 13 40.809 . . 1 . . 548 . A 19 TYR CB . 34249 1 46 . 1 1 19 19 TYR N N 15 116.971 0.019 . 1 . . 11 . A 19 TYR N . 34249 1 47 . 1 1 20 20 ALA H H 1 9.761 0.002 . 1 . . 232 . A 20 ALA H . 34249 1 48 . 1 1 20 20 ALA HA H 1 5.791 . . 1 . . 553 . A 20 ALA HA . 34249 1 49 . 1 1 20 20 ALA C C 13 175.664 . . 1 . . 443 . A 20 ALA C . 34249 1 50 . 1 1 20 20 ALA CA C 13 50.348 . . 1 . . 551 . A 20 ALA CA . 34249 1 51 . 1 1 20 20 ALA CB C 13 23.793 . . 1 . . 552 . A 20 ALA CB . 34249 1 52 . 1 1 20 20 ALA N N 15 122.765 0.018 . 1 . . 231 . A 20 ALA N . 34249 1 53 . 1 1 21 21 GLU H H 1 9.189 0.003 . 1 . . 50 . A 21 GLU H . 34249 1 54 . 1 1 21 21 GLU HA H 1 4.841 . . 1 . . 556 . A 21 GLU HA . 34249 1 55 . 1 1 21 21 GLU C C 13 175.881 . . 1 . . 444 . A 21 GLU C . 34249 1 56 . 1 1 21 21 GLU CA C 13 55.974 . . 1 . . 554 . A 21 GLU CA . 34249 1 57 . 1 1 21 21 GLU CB C 13 35.564 . . 1 . . 555 . A 21 GLU CB . 34249 1 58 . 1 1 21 21 GLU N N 15 116.682 0.031 . 1 . . 49 . A 21 GLU N . 34249 1 59 . 1 1 22 22 GLY H H 1 8.936 0.002 . 1 . . 198 . A 22 GLY H . 34249 1 60 . 1 1 22 22 GLY N N 15 112.955 0.013 . 1 . . 197 . A 22 GLY N . 34249 1 61 . 1 1 23 23 GLU HA H 1 4.182 . . 1 . . 559 . A 23 GLU HA . 34249 1 62 . 1 1 23 23 GLU C C 13 179.012 . . 1 . . 445 . A 23 GLU C . 34249 1 63 . 1 1 23 23 GLU CA C 13 59.856 . . 1 . . 557 . A 23 GLU CA . 34249 1 64 . 1 1 23 23 GLU CB C 13 29.293 . . 1 . . 558 . A 23 GLU CB . 34249 1 65 . 1 1 24 24 GLY H H 1 9.165 0.002 . 1 . . 226 . A 24 GLY H . 34249 1 66 . 1 1 24 24 GLY HA2 H 1 4.193 . . 2 . . 561 . A 24 GLY HA2 . 34249 1 67 . 1 1 24 24 GLY HA3 H 1 3.390 . . 2 . . 562 . A 24 GLY HA3 . 34249 1 68 . 1 1 24 24 GLY C C 13 171.715 . . 1 . . 446 . A 24 GLY C . 34249 1 69 . 1 1 24 24 GLY CA C 13 46.277 . . 1 . . 560 . A 24 GLY CA . 34249 1 70 . 1 1 24 24 GLY N N 15 104.681 0.019 . 1 . . 225 . A 24 GLY N . 34249 1 71 . 1 1 25 25 LEU H H 1 7.736 0.003 . 1 . . 81 . A 25 LEU H . 34249 1 72 . 1 1 25 25 LEU HA H 1 4.465 . . 1 . . 565 . A 25 LEU HA . 34249 1 73 . 1 1 25 25 LEU C C 13 176.471 . . 1 . . 447 . A 25 LEU C . 34249 1 74 . 1 1 25 25 LEU CA C 13 53.758 . . 1 . . 563 . A 25 LEU CA . 34249 1 75 . 1 1 25 25 LEU CB C 13 41.680 . . 1 . . 564 . A 25 LEU CB . 34249 1 76 . 1 1 25 25 LEU N N 15 115.672 0.01 . 1 . . 80 . A 25 LEU N . 34249 1 77 . 1 1 26 26 VAL H H 1 8.097 0.003 . 1 . . 137 . A 26 VAL H . 34249 1 78 . 1 1 26 26 VAL HA H 1 4.125 . . 1 . . 568 . A 26 VAL HA . 34249 1 79 . 1 1 26 26 VAL C C 13 175.155 . . 1 . . 448 . A 26 VAL C . 34249 1 80 . 1 1 26 26 VAL CA C 13 64.830 . . 1 . . 566 . A 26 VAL CA . 34249 1 81 . 1 1 26 26 VAL CB C 13 34.948 . . 1 . . 567 . A 26 VAL CB . 34249 1 82 . 1 1 26 26 VAL N N 15 122.044 0.011 . 1 . . 136 . A 26 VAL N . 34249 1 83 . 1 1 27 27 LYS H H 1 8.338 0.002 . 1 . . 153 . A 27 LYS H . 34249 1 84 . 1 1 27 27 LYS HA H 1 4.509 . . 1 . . 571 . A 27 LYS HA . 34249 1 85 . 1 1 27 27 LYS C C 13 172.863 . . 1 . . 449 . A 27 LYS C . 34249 1 86 . 1 1 27 27 LYS CA C 13 57.278 . . 1 . . 569 . A 27 LYS CA . 34249 1 87 . 1 1 27 27 LYS CB C 13 33.618 . . 1 . . 570 . A 27 LYS CB . 34249 1 88 . 1 1 27 27 LYS N N 15 121.995 0.005 . 1 . . 152 . A 27 LYS N . 34249 1 89 . 1 1 28 28 VAL H H 1 7.949 0.002 . 1 . . 65 . A 28 VAL H . 34249 1 90 . 1 1 28 28 VAL HA H 1 4.344 . . 1 . . 574 . A 28 VAL HA . 34249 1 91 . 1 1 28 28 VAL C C 13 172.677 . . 1 . . 450 . A 28 VAL C . 34249 1 92 . 1 1 28 28 VAL CA C 13 59.494 . . 1 . . 572 . A 28 VAL CA . 34249 1 93 . 1 1 28 28 VAL CB C 13 34.987 . . 1 . . 573 . A 28 VAL CB . 34249 1 94 . 1 1 28 28 VAL N N 15 123.206 0.015 . 1 . . 64 . A 28 VAL N . 34249 1 95 . 1 1 29 29 PHE H H 1 9.160 0.002 . 1 . . 18 . A 29 PHE H . 34249 1 96 . 1 1 29 29 PHE HA H 1 5.808 . . 1 . . 577 . A 29 PHE HA . 34249 1 97 . 1 1 29 29 PHE C C 13 176.915 . . 1 . . 451 . A 29 PHE C . 34249 1 98 . 1 1 29 29 PHE CA C 13 55.873 . . 1 . . 575 . A 29 PHE CA . 34249 1 99 . 1 1 29 29 PHE CB C 13 43.589 . . 1 . . 576 . A 29 PHE CB . 34249 1 100 . 1 1 29 29 PHE N N 15 121.588 0.018 . 1 . . 17 . A 29 PHE N . 34249 1 101 . 1 1 30 30 ASP H H 1 8.015 0.002 . 1 . . 149 . A 30 ASP H . 34249 1 102 . 1 1 30 30 ASP HA H 1 4.785 . . 1 . . 579 . A 30 ASP HA . 34249 1 103 . 1 1 30 30 ASP C C 13 177.260 . . 1 . . 452 . A 30 ASP C . 34249 1 104 . 1 1 30 30 ASP CA C 13 54.317 . . 1 . . 798 . A 30 ASP CA . 34249 1 105 . 1 1 30 30 ASP CB C 13 39.978 . . 1 . . 578 . A 30 ASP CB . 34249 1 106 . 1 1 30 30 ASP N N 15 118.966 0.019 . 1 . . 148 . A 30 ASP N . 34249 1 107 . 1 1 31 31 ASN H H 1 7.781 0.003 . 1 . . 6 . A 31 ASN H . 34249 1 108 . 1 1 31 31 ASN HA H 1 4.785 . . 1 . . 585 . A 31 ASN HA . 34249 1 109 . 1 1 31 31 ASN C C 13 175.220 . . 1 . . 453 . A 31 ASN C . 34249 1 110 . 1 1 31 31 ASN CA C 13 51.413 . . 1 . . 583 . A 31 ASN CA . 34249 1 111 . 1 1 31 31 ASN CB C 13 38.156 . . 1 . . 584 . A 31 ASN CB . 34249 1 112 . 1 1 31 31 ASN N N 15 116.187 0.01 . 1 . . 5 . A 31 ASN N . 34249 1 113 . 1 1 32 32 ALA H H 1 7.453 0.002 . 1 . . 22 . A 32 ALA H . 34249 1 114 . 1 1 32 32 ALA N N 15 122.132 0.015 . 1 . . 21 . A 32 ALA N . 34249 1 115 . 1 1 33 33 PRO HA H 1 4.313 . . 1 . . 588 . A 33 PRO HA . 34249 1 116 . 1 1 33 33 PRO C C 13 175.133 . . 1 . . 454 . A 33 PRO C . 34249 1 117 . 1 1 33 33 PRO CA C 13 63.483 . . 1 . . 586 . A 33 PRO CA . 34249 1 118 . 1 1 33 33 PRO CB C 13 32.200 . . 1 . . 587 . A 33 PRO CB . 34249 1 119 . 1 1 34 34 ALA H H 1 8.942 0.001 . 1 . . 67 . A 34 ALA H . 34249 1 120 . 1 1 34 34 ALA HA H 1 4.548 . . 1 . . 591 . A 34 ALA HA . 34249 1 121 . 1 1 34 34 ALA C C 13 175.901 . . 1 . . 455 . A 34 ALA C . 34249 1 122 . 1 1 34 34 ALA CA C 13 50.518 . . 1 . . 589 . A 34 ALA CA . 34249 1 123 . 1 1 34 34 ALA CB C 13 20.767 . . 1 . . 590 . A 34 ALA CB . 34249 1 124 . 1 1 34 34 ALA N N 15 128.367 0.014 . 1 . . 66 . A 34 ALA N . 34249 1 125 . 1 1 35 35 GLU H H 1 8.527 0.001 . 1 . . 108 . A 35 GLU H . 34249 1 126 . 1 1 35 35 GLU HA H 1 5.725 . . 1 . . 594 . A 35 GLU HA . 34249 1 127 . 1 1 35 35 GLU C C 13 176.904 . . 1 . . 456 . A 35 GLU C . 34249 1 128 . 1 1 35 35 GLU CA C 13 54.516 . . 1 . . 592 . A 35 GLU CA . 34249 1 129 . 1 1 35 35 GLU CB C 13 34.191 . . 1 . . 593 . A 35 GLU CB . 34249 1 130 . 1 1 35 35 GLU N N 15 117.805 0.012 . 1 . . 107 . A 35 GLU N . 34249 1 131 . 1 1 36 36 PHE H H 1 8.777 0.002 . 1 . . 196 . A 36 PHE H . 34249 1 132 . 1 1 36 36 PHE HA H 1 5.134 . . 1 . . 597 . A 36 PHE HA . 34249 1 133 . 1 1 36 36 PHE C C 13 171.347 . . 1 . . 457 . A 36 PHE C . 34249 1 134 . 1 1 36 36 PHE CA C 13 57.511 . . 1 . . 595 . A 36 PHE CA . 34249 1 135 . 1 1 36 36 PHE CB C 13 40.211 . . 1 . . 596 . A 36 PHE CB . 34249 1 136 . 1 1 36 36 PHE N N 15 115.949 0.024 . 1 . . 195 . A 36 PHE N . 34249 1 137 . 1 1 37 37 THR H H 1 8.910 0.003 . 1 . . 161 . A 37 THR H . 34249 1 138 . 1 1 37 37 THR HA H 1 5.224 . . 1 . . 599 . A 37 THR HA . 34249 1 139 . 1 1 37 37 THR C C 13 172.945 . . 1 . . 458 . A 37 THR C . 34249 1 140 . 1 1 37 37 THR CA C 13 61.259 . . 1 . . 799 . A 37 THR CA . 34249 1 141 . 1 1 37 37 THR CB C 13 71.897 . . 1 . . 598 . A 37 THR CB . 34249 1 142 . 1 1 37 37 THR N N 15 116.681 0.013 . 1 . . 160 . A 37 THR N . 34249 1 143 . 1 1 38 38 ILE H H 1 9.367 0.003 . 1 . . 77 . A 38 ILE H . 34249 1 144 . 1 1 38 38 ILE HA H 1 4.115 . . 1 . . 601 . A 38 ILE HA . 34249 1 145 . 1 1 38 38 ILE C C 13 173.306 . . 1 . . 459 . A 38 ILE C . 34249 1 146 . 1 1 38 38 ILE CA C 13 60.895 . . 1 . . 800 . A 38 ILE CA . 34249 1 147 . 1 1 38 38 ILE CB C 13 39.781 . . 1 . . 600 . A 38 ILE CB . 34249 1 148 . 1 1 38 38 ILE N N 15 125.363 0.046 . 1 . . 76 . A 38 ILE N . 34249 1 149 . 1 1 39 39 PHE H H 1 9.426 0.004 . 1 . . 8 . A 39 PHE H . 34249 1 150 . 1 1 39 39 PHE HA H 1 4.241 . . 1 . . 604 . A 39 PHE HA . 34249 1 151 . 1 1 39 39 PHE C C 13 173.599 . . 1 . . 460 . A 39 PHE C . 34249 1 152 . 1 1 39 39 PHE CA C 13 57.556 . . 1 . . 602 . A 39 PHE CA . 34249 1 153 . 1 1 39 39 PHE CB C 13 38.371 . . 1 . . 603 . A 39 PHE CB . 34249 1 154 . 1 1 39 39 PHE N N 15 128.216 0.018 . 1 . . 7 . A 39 PHE N . 34249 1 155 . 1 1 40 40 ALA H H 1 8.703 0.002 . 1 . . 36 . A 40 ALA H . 34249 1 156 . 1 1 40 40 ALA HA H 1 4.611 . . 1 . . 607 . A 40 ALA HA . 34249 1 157 . 1 1 40 40 ALA C C 13 177.670 . . 1 . . 461 . A 40 ALA C . 34249 1 158 . 1 1 40 40 ALA CA C 13 51.929 . . 1 . . 605 . A 40 ALA CA . 34249 1 159 . 1 1 40 40 ALA CB C 13 21.233 . . 1 . . 606 . A 40 ALA CB . 34249 1 160 . 1 1 40 40 ALA N N 15 124.837 0.01 . 1 . . 35 . A 40 ALA N . 34249 1 161 . 1 1 41 41 VAL H H 1 9.313 0.003 . 1 . . 192 . A 41 VAL H . 34249 1 162 . 1 1 41 41 VAL HA H 1 4.361 . . 1 . . 610 . A 41 VAL HA . 34249 1 163 . 1 1 41 41 VAL C C 13 174.055 . . 1 . . 462 . A 41 VAL C . 34249 1 164 . 1 1 41 41 VAL CA C 13 61.701 . . 1 . . 608 . A 41 VAL CA . 34249 1 165 . 1 1 41 41 VAL CB C 13 35.296 . . 1 . . 609 . A 41 VAL CB . 34249 1 166 . 1 1 41 41 VAL N N 15 127.780 0.013 . 1 . . 191 . A 41 VAL N . 34249 1 167 . 1 1 42 42 ASP H H 1 9.035 0.002 . 1 . . 130 . A 42 ASP H . 34249 1 168 . 1 1 42 42 ASP HA H 1 5.187 . . 1 . . 613 . A 42 ASP HA . 34249 1 169 . 1 1 42 42 ASP C C 13 177.917 . . 1 . . 463 . A 42 ASP C . 34249 1 170 . 1 1 42 42 ASP CA C 13 53.848 . . 1 . . 611 . A 42 ASP CA . 34249 1 171 . 1 1 42 42 ASP CB C 13 42.938 . . 1 . . 612 . A 42 ASP CB . 34249 1 172 . 1 1 42 42 ASP N N 15 127.088 0.021 . 1 . . 129 . A 42 ASP N . 34249 1 173 . 1 1 43 43 THR H H 1 7.517 0.003 . 1 . . 53 . A 43 THR H . 34249 1 174 . 1 1 43 43 THR HA H 1 4.083 . . 1 . . 616 . A 43 THR HA . 34249 1 175 . 1 1 43 43 THR C C 13 175.642 . . 1 . . 464 . A 43 THR C . 34249 1 176 . 1 1 43 43 THR CA C 13 64.119 . . 1 . . 615 . A 43 THR CA . 34249 1 177 . 1 1 43 43 THR CB C 13 69.012 . . 1 . . 614 . A 43 THR CB . 34249 1 178 . 1 1 43 43 THR N N 15 104.540 0.006 . 1 . . 52 . A 43 THR N . 34249 1 179 . 1 1 44 44 LYS H H 1 9.006 0.004 . 1 . . 46 . A 44 LYS H . 34249 1 180 . 1 1 44 44 LYS HA H 1 4.485 . . 1 . . 619 . A 44 LYS HA . 34249 1 181 . 1 1 44 44 LYS C C 13 176.933 . . 1 . . 465 . A 44 LYS C . 34249 1 182 . 1 1 44 44 LYS CA C 13 54.981 . . 1 . . 617 . A 44 LYS CA . 34249 1 183 . 1 1 44 44 LYS CB C 13 31.898 . . 1 . . 618 . A 44 LYS CB . 34249 1 184 . 1 1 44 44 LYS N N 15 122.119 0.027 . 1 . . 45 . A 44 LYS N . 34249 1 185 . 1 1 45 45 GLY H H 1 8.124 0.002 . 1 . . 73 . A 45 GLY H . 34249 1 186 . 1 1 45 45 GLY HA2 H 1 3.848 . . 2 . . 621 . A 45 GLY HA2 . 34249 1 187 . 1 1 45 45 GLY HA3 H 1 3.004 . . 2 . . 622 . A 45 GLY HA3 . 34249 1 188 . 1 1 45 45 GLY C C 13 173.708 . . 1 . . 466 . A 45 GLY C . 34249 1 189 . 1 1 45 45 GLY CA C 13 45.282 . . 1 . . 620 . A 45 GLY CA . 34249 1 190 . 1 1 45 45 GLY N N 15 108.685 0.018 . 1 . . 72 . A 45 GLY N . 34249 1 191 . 1 1 46 46 VAL H H 1 8.449 0.004 . 1 . . 40 . A 46 VAL H . 34249 1 192 . 1 1 46 46 VAL HA H 1 4.015 . . 1 . . 625 . A 46 VAL HA . 34249 1 193 . 1 1 46 46 VAL C C 13 175.800 . . 1 . . 467 . A 46 VAL C . 34249 1 194 . 1 1 46 46 VAL CA C 13 61.876 . . 1 . . 623 . A 46 VAL CA . 34249 1 195 . 1 1 46 46 VAL CB C 13 31.923 . . 1 . . 624 . A 46 VAL CB . 34249 1 196 . 1 1 46 46 VAL N N 15 125.620 0.026 . 1 . . 39 . A 46 VAL N . 34249 1 197 . 1 1 47 47 ALA H H 1 8.963 0.002 . 1 . . 14 . A 47 ALA H . 34249 1 198 . 1 1 47 47 ALA HA H 1 4.323 . . 1 . . 628 . A 47 ALA HA . 34249 1 199 . 1 1 47 47 ALA C C 13 179.839 . . 1 . . 468 . A 47 ALA C . 34249 1 200 . 1 1 47 47 ALA CA C 13 54.236 . . 1 . . 626 . A 47 ALA CA . 34249 1 201 . 1 1 47 47 ALA CB C 13 18.165 . . 1 . . 627 . A 47 ALA CB . 34249 1 202 . 1 1 47 47 ALA N N 15 131.643 0.019 . 1 . . 13 . A 47 ALA N . 34249 1 203 . 1 1 48 48 ARG H H 1 8.746 0.002 . 1 . . 113 . A 48 ARG H . 34249 1 204 . 1 1 48 48 ARG HA H 1 4.428 . . 1 . . 629 . A 48 ARG HA . 34249 1 205 . 1 1 48 48 ARG C C 13 176.979 . . 1 . . 469 . A 48 ARG C . 34249 1 206 . 1 1 48 48 ARG CA C 13 55.415 . . 1 . . 630 . A 48 ARG CA . 34249 1 207 . 1 1 48 48 ARG CB C 13 29.141 . . 1 . . 631 . A 48 ARG CB . 34249 1 208 . 1 1 48 48 ARG N N 15 124.425 0.034 . 1 . . 112 . A 48 ARG N . 34249 1 209 . 1 1 49 49 THR H H 1 8.467 0.006 . 1 . . 124 . A 49 THR H . 34249 1 210 . 1 1 49 49 THR HA H 1 4.361 . . 1 . . 634 . A 49 THR HA . 34249 1 211 . 1 1 49 49 THR C C 13 174.067 . . 1 . . 470 . A 49 THR C . 34249 1 212 . 1 1 49 49 THR CA C 13 61.574 . . 1 . . 633 . A 49 THR CA . 34249 1 213 . 1 1 49 49 THR CB C 13 69.375 . . 1 . . 632 . A 49 THR CB . 34249 1 214 . 1 1 49 49 THR N N 15 107.035 0.015 . 1 . . 123 . A 49 THR N . 34249 1 215 . 1 1 50 50 ASP H H 1 7.480 0.002 . 1 . . 71 . A 50 ASP H . 34249 1 216 . 1 1 50 50 ASP HA H 1 4.266 . . 1 . . 637 . A 50 ASP HA . 34249 1 217 . 1 1 50 50 ASP C C 13 174.314 . . 1 . . 471 . A 50 ASP C . 34249 1 218 . 1 1 50 50 ASP CA C 13 52.396 . . 1 . . 635 . A 50 ASP CA . 34249 1 219 . 1 1 50 50 ASP CB C 13 41.384 . . 1 . . 636 . A 50 ASP CB . 34249 1 220 . 1 1 50 50 ASP N N 15 119.110 0.006 . 1 . . 70 . A 50 ASP N . 34249 1 221 . 1 1 51 51 GLY H H 1 8.152 0.003 . 1 . . 24 . A 51 GLY H . 34249 1 222 . 1 1 51 51 GLY HA2 H 1 4.694 . . 2 . . 639 . A 51 GLY HA2 . 34249 1 223 . 1 1 51 51 GLY HA3 H 1 4.422 . . 2 . . 640 . A 51 GLY HA3 . 34249 1 224 . 1 1 51 51 GLY C C 13 174.960 . . 1 . . 472 . A 51 GLY C . 34249 1 225 . 1 1 51 51 GLY CA C 13 45.047 . . 1 . . 638 . A 51 GLY CA . 34249 1 226 . 1 1 51 51 GLY N N 15 104.048 0.012 . 1 . . 23 . A 51 GLY N . 34249 1 227 . 1 1 52 52 GLY H H 1 9.915 0.001 . 1 . . 155 . A 52 GLY H . 34249 1 228 . 1 1 52 52 GLY HA2 H 1 4.139 . . 2 . . 642 . A 52 GLY HA2 . 34249 1 229 . 1 1 52 52 GLY HA3 H 1 3.686 . . 2 . . 643 . A 52 GLY HA3 . 34249 1 230 . 1 1 52 52 GLY C C 13 175.146 . . 1 . . 473 . A 52 GLY C . 34249 1 231 . 1 1 52 52 GLY CA C 13 45.194 . . 1 . . 641 . A 52 GLY CA . 34249 1 232 . 1 1 52 52 GLY N N 15 108.551 0.012 . 1 . . 154 . A 52 GLY N . 34249 1 233 . 1 1 53 53 ASP H H 1 8.656 0.004 . 1 . . 217 . A 53 ASP H . 34249 1 234 . 1 1 53 53 ASP N N 15 121.996 0.026 . 1 . . 216 . A 53 ASP N . 34249 1 235 . 1 1 54 54 PRO HA H 1 4.683 . . 1 . . 646 . A 54 PRO HA . 34249 1 236 . 1 1 54 54 PRO C C 13 175.256 . . 1 . . 474 . A 54 PRO C . 34249 1 237 . 1 1 54 54 PRO CA C 13 62.758 . . 1 . . 644 . A 54 PRO CA . 34249 1 238 . 1 1 54 54 PRO CB C 13 27.862 . . 1 . . 645 . A 54 PRO CB . 34249 1 239 . 1 1 55 55 PHE H H 1 7.660 0.003 . 1 . . 190 . A 55 PHE H . 34249 1 240 . 1 1 55 55 PHE HA H 1 4.707 . . 1 . . 649 . A 55 PHE HA . 34249 1 241 . 1 1 55 55 PHE C C 13 175.967 . . 1 . . 475 . A 55 PHE C . 34249 1 242 . 1 1 55 55 PHE CA C 13 59.809 . . 1 . . 647 . A 55 PHE CA . 34249 1 243 . 1 1 55 55 PHE CB C 13 40.480 . . 1 . . 648 . A 55 PHE CB . 34249 1 244 . 1 1 55 55 PHE N N 15 123.131 0.02 . 1 . . 189 . A 55 PHE N . 34249 1 245 . 1 1 56 56 GLU H H 1 9.028 0.001 . 1 . . 85 . A 56 GLU H . 34249 1 246 . 1 1 56 56 GLU HA H 1 4.608 . . 1 . . 652 . A 56 GLU HA . 34249 1 247 . 1 1 56 56 GLU C C 13 174.440 . . 1 . . 476 . A 56 GLU C . 34249 1 248 . 1 1 56 56 GLU CA C 13 54.971 . . 1 . . 650 . A 56 GLU CA . 34249 1 249 . 1 1 56 56 GLU CB C 13 33.128 . . 1 . . 651 . A 56 GLU CB . 34249 1 250 . 1 1 56 56 GLU N N 15 121.699 0.017 . 1 . . 84 . A 56 GLU N . 34249 1 251 . 1 1 57 57 VAL H H 1 8.950 0.003 . 1 . . 126 . A 57 VAL H . 34249 1 252 . 1 1 57 57 VAL HA H 1 4.638 . . 1 . . 655 . A 57 VAL HA . 34249 1 253 . 1 1 57 57 VAL C C 13 173.901 . . 1 . . 477 . A 57 VAL C . 34249 1 254 . 1 1 57 57 VAL CA C 13 61.471 . . 1 . . 653 . A 57 VAL CA . 34249 1 255 . 1 1 57 57 VAL CB C 13 34.095 . . 1 . . 654 . A 57 VAL CB . 34249 1 256 . 1 1 57 57 VAL N N 15 120.930 0.022 . 1 . . 125 . A 57 VAL N . 34249 1 257 . 1 1 58 58 ALA H H 1 8.583 0.002 . 1 . . 211 . A 58 ALA H . 34249 1 258 . 1 1 58 58 ALA HA H 1 4.913 . . 1 . . 658 . A 58 ALA HA . 34249 1 259 . 1 1 58 58 ALA C C 13 176.203 . . 1 . . 478 . A 58 ALA C . 34249 1 260 . 1 1 58 58 ALA CA C 13 50.707 . . 1 . . 656 . A 58 ALA CA . 34249 1 261 . 1 1 58 58 ALA CB C 13 21.434 . . 1 . . 657 . A 58 ALA CB . 34249 1 262 . 1 1 58 58 ALA N N 15 131.758 0.014 . 1 . . 210 . A 58 ALA N . 34249 1 263 . 1 1 59 59 ILE H H 1 9.202 0.002 . 1 . . 165 . A 59 ILE H . 34249 1 264 . 1 1 59 59 ILE HA H 1 5.196 . . 1 . . 659 . A 59 ILE HA . 34249 1 265 . 1 1 59 59 ILE C C 13 173.910 . . 1 . . 479 . A 59 ILE C . 34249 1 266 . 1 1 59 59 ILE CA C 13 60.370 . . 1 . . 661 . A 59 ILE CA . 34249 1 267 . 1 1 59 59 ILE CB C 13 40.462 . . 1 . . 662 . A 59 ILE CB . 34249 1 268 . 1 1 59 59 ILE N N 15 124.817 0.005 . 1 . . 164 . A 59 ILE N . 34249 1 269 . 1 1 60 60 ASN H H 1 8.692 0.003 . 1 . . 16 . A 60 ASN H . 34249 1 270 . 1 1 60 60 ASN HA H 1 5.448 . . 1 . . 665 . A 60 ASN HA . 34249 1 271 . 1 1 60 60 ASN C C 13 175.202 . . 1 . . 481 . A 60 ASN C . 34249 1 272 . 1 1 60 60 ASN N N 15 126.068 0.007 . 1 . . 15 . A 60 ASN N . 34249 1 273 . 1 1 61 61 GLY H H 1 9.428 0.008 . 1 . . 176 . A 61 GLY H . 34249 1 274 . 1 1 61 61 GLY N N 15 112.395 0.038 . 1 . . 175 . A 61 GLY N . 34249 1 275 . 1 1 63 63 ASP HA H 1 4.286 . . 1 . . 667 . A 63 ASP HA . 34249 1 276 . 1 1 63 63 ASP C C 13 176.119 . . 1 . . 482 . A 63 ASP C . 34249 1 277 . 1 1 63 63 ASP CA C 13 54.811 . . 1 . . 668 . A 63 ASP CA . 34249 1 278 . 1 1 63 63 ASP CB C 13 39.921 . . 1 . . 666 . A 63 ASP CB . 34249 1 279 . 1 1 64 64 GLY H H 1 8.170 0.002 . 1 . . 118 . A 64 GLY H . 34249 1 280 . 1 1 64 64 GLY HA2 H 1 4.037 . . 2 . . 670 . A 64 GLY HA2 . 34249 1 281 . 1 1 64 64 GLY HA3 H 1 3.654 . . 2 . . 671 . A 64 GLY HA3 . 34249 1 282 . 1 1 64 64 GLY C C 13 174.556 . . 1 . . 483 . A 64 GLY C . 34249 1 283 . 1 1 64 64 GLY CA C 13 45.589 . . 1 . . 669 . A 64 GLY CA . 34249 1 284 . 1 1 64 64 GLY N N 15 105.026 0.013 . 1 . . 117 . A 64 GLY N . 34249 1 285 . 1 1 65 65 LEU H H 1 7.136 0.006 . 1 . . 55 . A 65 LEU H . 34249 1 286 . 1 1 65 65 LEU N N 15 123.269 0.022 . 1 . . 54 . A 65 LEU N . 34249 1 287 . 1 1 66 66 VAL H H 1 8.744 . . 1 . . 44 . A 66 VAL H . 34249 1 288 . 1 1 66 66 VAL HA H 1 4.340 . . 1 . . 674 . A 66 VAL HA . 34249 1 289 . 1 1 66 66 VAL C C 13 176.100 . . 1 . . 484 . A 66 VAL C . 34249 1 290 . 1 1 66 66 VAL CA C 13 63.149 . . 1 . . 672 . A 66 VAL CA . 34249 1 291 . 1 1 66 66 VAL CB C 13 32.523 . . 1 . . 673 . A 66 VAL CB . 34249 1 292 . 1 1 66 66 VAL N N 15 129.486 . . 1 . . 43 . A 66 VAL N . 34249 1 293 . 1 1 67 67 VAL H H 1 8.112 0.004 . 1 . . 188 . A 67 VAL H . 34249 1 294 . 1 1 67 67 VAL HA H 1 4.209 . . 1 . . 677 . A 67 VAL HA . 34249 1 295 . 1 1 67 67 VAL C C 13 174.532 . . 1 . . 485 . A 67 VAL C . 34249 1 296 . 1 1 67 67 VAL CA C 13 61.379 . . 1 . . 675 . A 67 VAL CA . 34249 1 297 . 1 1 67 67 VAL CB C 13 33.689 . . 1 . . 676 . A 67 VAL CB . 34249 1 298 . 1 1 67 67 VAL N N 15 129.436 0.018 . 1 . . 187 . A 67 VAL N . 34249 1 299 . 1 1 68 68 ASP H H 1 9.049 0.004 . 1 . . 219 . A 68 ASP H . 34249 1 300 . 1 1 68 68 ASP HA H 1 4.848 . . 1 . . 680 . A 68 ASP HA . 34249 1 301 . 1 1 68 68 ASP C C 13 174.915 . . 1 . . 486 . A 68 ASP C . 34249 1 302 . 1 1 68 68 ASP CA C 13 53.501 . . 1 . . 678 . A 68 ASP CA . 34249 1 303 . 1 1 68 68 ASP CB C 13 41.195 . . 1 . . 679 . A 68 ASP CB . 34249 1 304 . 1 1 68 68 ASP N N 15 127.940 0.05 . 1 . . 218 . A 68 ASP N . 34249 1 305 . 1 1 69 69 ALA H H 1 8.884 0.004 . 1 . . 174 . A 69 ALA H . 34249 1 306 . 1 1 69 69 ALA HA H 1 4.625 . . 1 . . 683 . A 69 ALA HA . 34249 1 307 . 1 1 69 69 ALA C C 13 176.379 . . 1 . . 487 . A 69 ALA C . 34249 1 308 . 1 1 69 69 ALA CA C 13 51.096 . . 1 . . 681 . A 69 ALA CA . 34249 1 309 . 1 1 69 69 ALA CB C 13 20.227 . . 1 . . 682 . A 69 ALA CB . 34249 1 310 . 1 1 69 69 ALA N N 15 128.043 0.028 . 1 . . 173 . A 69 ALA N . 34249 1 311 . 1 1 70 70 LYS H H 1 8.867 0.002 . 1 . . 34 . A 70 LYS H . 34249 1 312 . 1 1 70 70 LYS HA H 1 4.603 . . 1 . . 686 . A 70 LYS HA . 34249 1 313 . 1 1 70 70 LYS C C 13 175.846 . . 1 . . 488 . A 70 LYS C . 34249 1 314 . 1 1 70 70 LYS CA C 13 55.641 . . 1 . . 684 . A 70 LYS CA . 34249 1 315 . 1 1 70 70 LYS CB C 13 33.127 . . 1 . . 685 . A 70 LYS CB . 34249 1 316 . 1 1 70 70 LYS N N 15 123.318 0.011 . 1 . . 33 . A 70 LYS N . 34249 1 317 . 1 1 71 71 VAL H H 1 9.021 0.001 . 1 . . 143 . A 71 VAL H . 34249 1 318 . 1 1 71 71 VAL HA H 1 4.865 . . 1 . . 690 . A 71 VAL HA . 34249 1 319 . 1 1 71 71 VAL C C 13 176.197 . . 1 . . 489 . A 71 VAL C . 34249 1 320 . 1 1 71 71 VAL CA C 13 61.486 . . 1 . . 687 . A 71 VAL CA . 34249 1 321 . 1 1 71 71 VAL CB C 13 33.261 . . 1 . . 688 . A 71 VAL CB . 34249 1 322 . 1 1 71 71 VAL N N 15 129.520 0.004 . 1 . . 142 . A 71 VAL N . 34249 1 323 . 1 1 72 72 THR H H 1 9.967 0.001 . 1 . . 205 . A 72 THR H . 34249 1 324 . 1 1 72 72 THR HA H 1 4.435 . . 1 . . 693 . A 72 THR HA . 34249 1 325 . 1 1 72 72 THR C C 13 172.861 . . 1 . . 527 . A 72 THR C . 34249 1 326 . 1 1 72 72 THR CA C 13 61.804 . . 1 . . 692 . A 72 THR CA . 34249 1 327 . 1 1 72 72 THR CB C 13 70.735 . . 1 . . 691 . A 72 THR CB . 34249 1 328 . 1 1 72 72 THR N N 15 126.672 0.028 . 1 . . 204 . A 72 THR N . 34249 1 329 . 1 1 73 73 ASP H H 1 8.951 0.002 . 1 . . 179 . A 73 ASP H . 34249 1 330 . 1 1 73 73 ASP HA H 1 4.276 . . 1 . . 696 . A 73 ASP HA . 34249 1 331 . 1 1 73 73 ASP C C 13 176.103 . . 1 . . 490 . A 73 ASP C . 34249 1 332 . 1 1 73 73 ASP CA C 13 53.441 . . 1 . . 694 . A 73 ASP CA . 34249 1 333 . 1 1 73 73 ASP CB C 13 40.958 . . 1 . . 695 . A 73 ASP CB . 34249 1 334 . 1 1 73 73 ASP N N 15 126.836 0.02 . 1 . . 526 . A 73 ASP N . 34249 1 335 . 1 1 74 74 ASN H H 1 7.476 0.003 . 1 . . 186 . A 74 ASN H . 34249 1 336 . 1 1 74 74 ASN HA H 1 4.529 . . 1 . . 699 . A 74 ASN HA . 34249 1 337 . 1 1 74 74 ASN C C 13 174.535 . . 1 . . 491 . A 74 ASN C . 34249 1 338 . 1 1 74 74 ASN CA C 13 54.150 . . 1 . . 697 . A 74 ASN CA . 34249 1 339 . 1 1 74 74 ASN CB C 13 37.515 . . 1 . . 698 . A 74 ASN CB . 34249 1 340 . 1 1 74 74 ASN N N 15 124.999 0.013 . 1 . . 185 . A 74 ASN N . 34249 1 341 . 1 1 75 75 ASN H H 1 9.485 0.002 . 1 . . 95 . A 75 ASN H . 34249 1 342 . 1 1 75 75 ASN HA H 1 4.057 . . 1 . . 581 . A 75 ASN HA . 34249 1 343 . 1 1 75 75 ASN C C 13 173.069 . . 1 . . 492 . A 75 ASN C . 34249 1 344 . 1 1 75 75 ASN CA C 13 54.705 . . 1 . . 582 . A 75 ASN CA . 34249 1 345 . 1 1 75 75 ASN CB C 13 37.040 . . 1 . . 580 . A 75 ASN CB . 34249 1 346 . 1 1 75 75 ASN N N 15 117.003 0.015 . 1 . . 94 . A 75 ASN N . 34249 1 347 . 1 1 76 76 ASP H H 1 7.761 0.004 . 1 . . 230 . A 76 ASP H . 34249 1 348 . 1 1 76 76 ASP HA H 1 4.620 . . 1 . . 701 . A 76 ASP HA . 34249 1 349 . 1 1 76 76 ASP C C 13 175.614 . . 1 . . 493 . A 76 ASP C . 34249 1 350 . 1 1 76 76 ASP CA C 13 52.828 . . 1 . . 700 . A 76 ASP CA . 34249 1 351 . 1 1 76 76 ASP CB C 13 41.175 . . 1 . . 703 . A 76 ASP CB . 34249 1 352 . 1 1 76 76 ASP N N 15 115.958 0.011 . 1 . . 229 . A 76 ASP N . 34249 1 353 . 1 1 77 77 GLY H H 1 8.179 0.006 . 1 . . 207 . A 77 GLY H . 34249 1 354 . 1 1 77 77 GLY HA2 H 1 4.446 . . 2 . . 705 . A 77 GLY HA2 . 34249 1 355 . 1 1 77 77 GLY HA3 H 1 3.569 . . 2 . . 706 . A 77 GLY HA3 . 34249 1 356 . 1 1 77 77 GLY C C 13 172.299 . . 1 . . 494 . A 77 GLY C . 34249 1 357 . 1 1 77 77 GLY CA C 13 45.223 . . 1 . . 704 . A 77 GLY CA . 34249 1 358 . 1 1 77 77 GLY N N 15 110.089 0.012 . 1 . . 206 . A 77 GLY N . 34249 1 359 . 1 1 78 78 THR H H 1 7.983 0.001 . 1 . . 157 . A 78 THR H . 34249 1 360 . 1 1 78 78 THR HA H 1 5.586 . . 1 . . 709 . A 78 THR HA . 34249 1 361 . 1 1 78 78 THR C C 13 175.224 . . 1 . . 495 . A 78 THR C . 34249 1 362 . 1 1 78 78 THR CA C 13 59.422 . . 1 . . 708 . A 78 THR CA . 34249 1 363 . 1 1 78 78 THR CB C 13 72.894 . . 1 . . 707 . A 78 THR CB . 34249 1 364 . 1 1 78 78 THR N N 15 108.525 0.008 . 1 . . 156 . A 78 THR N . 34249 1 365 . 1 1 79 79 TYR H H 1 8.704 0.005 . 1 . . 83 . A 79 TYR H . 34249 1 366 . 1 1 79 79 TYR HA H 1 5.049 . . 1 . . 712 . A 79 TYR HA . 34249 1 367 . 1 1 79 79 TYR C C 13 175.705 . . 1 . . 496 . A 79 TYR C . 34249 1 368 . 1 1 79 79 TYR CA C 13 56.253 . . 1 . . 710 . A 79 TYR CA . 34249 1 369 . 1 1 79 79 TYR CB C 13 40.254 . . 1 . . 711 . A 79 TYR CB . 34249 1 370 . 1 1 79 79 TYR N N 15 120.110 0.041 . 1 . . 82 . A 79 TYR N . 34249 1 371 . 1 1 80 80 GLY H H 1 9.204 0.004 . 1 . . 201 . A 80 GLY H . 34249 1 372 . 1 1 80 80 GLY HA2 H 1 4.399 . . 2 . . 714 . A 80 GLY HA2 . 34249 1 373 . 1 1 80 80 GLY HA3 H 1 3.759 . . 2 . . 715 . A 80 GLY HA3 . 34249 1 374 . 1 1 80 80 GLY C C 13 172.782 . . 1 . . 497 . A 80 GLY C . 34249 1 375 . 1 1 80 80 GLY CA C 13 45.623 . . 1 . . 713 . A 80 GLY CA . 34249 1 376 . 1 1 80 80 GLY N N 15 112.517 0.022 . 1 . . 200 . A 80 GLY N . 34249 1 377 . 1 1 81 81 VAL H H 1 8.784 0.004 . 1 . . 215 . A 81 VAL H . 34249 1 378 . 1 1 81 81 VAL HA H 1 4.875 . . 1 . . 718 . A 81 VAL HA . 34249 1 379 . 1 1 81 81 VAL C C 13 175.273 . . 1 . . 498 . A 81 VAL C . 34249 1 380 . 1 1 81 81 VAL CA C 13 60.949 . . 1 . . 717 . A 81 VAL CA . 34249 1 381 . 1 1 81 81 VAL CB C 13 32.910 . . 1 . . 716 . A 81 VAL CB . 34249 1 382 . 1 1 81 81 VAL N N 15 123.858 0.024 . 1 . . 214 . A 81 VAL N . 34249 1 383 . 1 1 82 82 VAL H H 1 8.390 0.003 . 1 . . 79 . A 82 VAL H . 34249 1 384 . 1 1 82 82 VAL HA H 1 5.352 . . 1 . . 724 . A 82 VAL HA . 34249 1 385 . 1 1 82 82 VAL C C 13 174.812 . . 1 . . 499 . A 82 VAL C . 34249 1 386 . 1 1 82 82 VAL CA C 13 60.123 . . 1 . . 722 . A 82 VAL CA . 34249 1 387 . 1 1 82 82 VAL CB C 13 35.539 . . 1 . . 723 . A 82 VAL CB . 34249 1 388 . 1 1 82 82 VAL N N 15 126.633 0.043 . 1 . . 78 . A 82 VAL N . 34249 1 389 . 1 1 83 83 TYR H H 1 9.392 0.001 . 1 . . 122 . A 83 TYR H . 34249 1 390 . 1 1 83 83 TYR HA H 1 5.049 . . 1 . . 727 . A 83 TYR HA . 34249 1 391 . 1 1 83 83 TYR C C 13 170.845 . . 1 . . 500 . A 83 TYR C . 34249 1 392 . 1 1 83 83 TYR CA C 13 56.102 . . 1 . . 725 . A 83 TYR CA . 34249 1 393 . 1 1 83 83 TYR CB C 13 41.293 . . 1 . . 726 . A 83 TYR CB . 34249 1 394 . 1 1 83 83 TYR N N 15 124.452 0.015 . 1 . . 121 . A 83 TYR N . 34249 1 395 . 1 1 84 84 ASP H H 1 8.315 0.004 . 1 . . 61 . A 84 ASP H . 34249 1 396 . 1 1 84 84 ASP HA H 1 4.694 . . 1 . . 730 . A 84 ASP HA . 34249 1 397 . 1 1 84 84 ASP C C 13 173.645 . . 1 . . 501 . A 84 ASP C . 34249 1 398 . 1 1 84 84 ASP CA C 13 53.507 . . 1 . . 728 . A 84 ASP CA . 34249 1 399 . 1 1 84 84 ASP CB C 13 43.197 . . 1 . . 729 . A 84 ASP CB . 34249 1 400 . 1 1 84 84 ASP N N 15 119.294 0.015 . 1 . . 60 . A 84 ASP N . 34249 1 401 . 1 1 85 85 ALA H H 1 8.794 0.002 . 1 . . 233 . A 85 ALA H . 34249 1 402 . 1 1 85 85 ALA N N 15 127.720 0.013 . 1 . . 220 . A 85 ALA N . 34249 1 403 . 1 1 86 86 PRO HA H 1 4.560 . . 1 . . 732 . A 86 PRO HA . 34249 1 404 . 1 1 86 86 PRO C C 13 176.640 . . 1 . . 502 . A 86 PRO C . 34249 1 405 . 1 1 86 86 PRO CA C 13 64.283 . . 1 . . 731 . A 86 PRO CA . 34249 1 406 . 1 1 86 86 PRO CB C 13 32.563 . . 1 . . 733 . A 86 PRO CB . 34249 1 407 . 1 1 87 87 VAL H H 1 6.873 0.005 . 1 . . 203 . A 87 VAL H . 34249 1 408 . 1 1 87 87 VAL HA H 1 4.648 . . 1 . . 736 . A 87 VAL HA . 34249 1 409 . 1 1 87 87 VAL C C 13 175.205 . . 1 . . 503 . A 87 VAL C . 34249 1 410 . 1 1 87 87 VAL CA C 13 59.446 . . 1 . . 734 . A 87 VAL CA . 34249 1 411 . 1 1 87 87 VAL CB C 13 35.647 . . 1 . . 735 . A 87 VAL CB . 34249 1 412 . 1 1 87 87 VAL N N 15 113.920 0.029 . 1 . . 202 . A 87 VAL N . 34249 1 413 . 1 1 88 88 GLU H H 1 9.186 0.001 . 1 . . 209 . A 88 GLU H . 34249 1 414 . 1 1 88 88 GLU HA H 1 4.160 . . 1 . . 739 . A 88 GLU HA . 34249 1 415 . 1 1 88 88 GLU C C 13 174.018 . . 1 . . 504 . A 88 GLU C . 34249 1 416 . 1 1 88 88 GLU CA C 13 57.475 . . 1 . . 737 . A 88 GLU CA . 34249 1 417 . 1 1 88 88 GLU CB C 13 30.122 . . 1 . . 738 . A 88 GLU CB . 34249 1 418 . 1 1 88 88 GLU N N 15 126.538 0.01 . 1 . . 208 . A 88 GLU N . 34249 1 419 . 1 1 89 89 GLY H H 1 8.331 0.004 . 1 . . 194 . A 89 GLY H . 34249 1 420 . 1 1 89 89 GLY HA2 H 1 4.556 . . 2 . . 741 . A 89 GLY HA2 . 34249 1 421 . 1 1 89 89 GLY HA3 H 1 3.776 . . 2 . . 742 . A 89 GLY HA3 . 34249 1 422 . 1 1 89 89 GLY C C 13 171.840 . . 1 . . 505 . A 89 GLY C . 34249 1 423 . 1 1 89 89 GLY CA C 13 43.721 . . 1 . . 740 . A 89 GLY CA . 34249 1 424 . 1 1 89 89 GLY N N 15 107.305 0.009 . 1 . . 193 . A 89 GLY N . 34249 1 425 . 1 1 90 90 ASN H H 1 8.611 0.002 . 1 . . 159 . A 90 ASN H . 34249 1 426 . 1 1 90 90 ASN HA H 1 5.026 . . 1 . . 745 . A 90 ASN HA . 34249 1 427 . 1 1 90 90 ASN C C 13 174.470 . . 1 . . 506 . A 90 ASN C . 34249 1 428 . 1 1 90 90 ASN CA C 13 54.439 . . 1 . . 743 . A 90 ASN CA . 34249 1 429 . 1 1 90 90 ASN CB C 13 41.117 . . 1 . . 744 . A 90 ASN CB . 34249 1 430 . 1 1 90 90 ASN N N 15 119.554 0.009 . 1 . . 158 . A 90 ASN N . 34249 1 431 . 1 1 91 91 TYR H H 1 9.575 0.003 . 1 . . 110 . A 91 TYR H . 34249 1 432 . 1 1 91 91 TYR HA H 1 4.705 . . 1 . . 748 . A 91 TYR HA . 34249 1 433 . 1 1 91 91 TYR C C 13 173.433 . . 1 . . 507 . A 91 TYR C . 34249 1 434 . 1 1 91 91 TYR CA C 13 57.141 . . 1 . . 746 . A 91 TYR CA . 34249 1 435 . 1 1 91 91 TYR CB C 13 39.268 . . 1 . . 747 . A 91 TYR CB . 34249 1 436 . 1 1 91 91 TYR N N 15 125.090 0.014 . 1 . . 109 . A 91 TYR N . 34249 1 437 . 1 1 92 92 ASN H H 1 8.969 0.001 . 1 . . 38 . A 92 ASN H . 34249 1 438 . 1 1 92 92 ASN HA H 1 5.341 . . 1 . . 749 . A 92 ASN HA . 34249 1 439 . 1 1 92 92 ASN C C 13 173.300 . . 1 . . 508 . A 92 ASN C . 34249 1 440 . 1 1 92 92 ASN CA C 13 53.427 . . 1 . . 753 . A 92 ASN CA . 34249 1 441 . 1 1 92 92 ASN CB C 13 42.148 . . 1 . . 751 . A 92 ASN CB . 34249 1 442 . 1 1 92 92 ASN N N 15 123.066 0.011 . 1 . . 37 . A 92 ASN N . 34249 1 443 . 1 1 93 93 VAL H H 1 9.494 0.002 . 1 . . 104 . A 93 VAL H . 34249 1 444 . 1 1 93 93 VAL HA H 1 4.211 . . 1 . . 757 . A 93 VAL HA . 34249 1 445 . 1 1 93 93 VAL C C 13 172.941 . . 1 . . 510 . A 93 VAL C . 34249 1 446 . 1 1 93 93 VAL CA C 13 61.859 . . 1 . . 755 . A 93 VAL CA . 34249 1 447 . 1 1 93 93 VAL CB C 13 32.992 . . 1 . . 756 . A 93 VAL CB . 34249 1 448 . 1 1 93 93 VAL N N 15 128.971 0.016 . 1 . . 103 . A 93 VAL N . 34249 1 449 . 1 1 94 94 ASN H H 1 8.923 0.004 . 1 . . 213 . A 94 ASN H . 34249 1 450 . 1 1 94 94 ASN HA H 1 5.259 . . 1 . . 760 . A 94 ASN HA . 34249 1 451 . 1 1 94 94 ASN C C 13 174.926 . . 1 . . 511 . A 94 ASN C . 34249 1 452 . 1 1 94 94 ASN CA C 13 51.730 . . 1 . . 758 . A 94 ASN CA . 34249 1 453 . 1 1 94 94 ASN CB C 13 41.539 . . 1 . . 759 . A 94 ASN CB . 34249 1 454 . 1 1 94 94 ASN N N 15 123.334 0.017 . 1 . . 212 . A 94 ASN N . 34249 1 455 . 1 1 95 95 VAL H H 1 7.598 0.004 . 1 . . 59 . A 95 VAL H . 34249 1 456 . 1 1 95 95 VAL HA H 1 5.104 . . 1 . . 763 . A 95 VAL HA . 34249 1 457 . 1 1 95 95 VAL C C 13 174.500 . . 1 . . 512 . A 95 VAL C . 34249 1 458 . 1 1 95 95 VAL CA C 13 61.020 . . 1 . . 761 . A 95 VAL CA . 34249 1 459 . 1 1 95 95 VAL CB C 13 32.823 . . 1 . . 762 . A 95 VAL CB . 34249 1 460 . 1 1 95 95 VAL N N 15 128.263 0.009 . 1 . . 58 . A 95 VAL N . 34249 1 461 . 1 1 96 96 THR H H 1 9.229 0.003 . 1 . . 28 . A 96 THR H . 34249 1 462 . 1 1 96 96 THR HA H 1 5.098 . . 1 . . 764 . A 96 THR HA . 34249 1 463 . 1 1 96 96 THR C C 13 172.986 . . 1 . . 513 . A 96 THR C . 34249 1 464 . 1 1 96 96 THR CA C 13 58.818 . . 1 . . 765 . A 96 THR CA . 34249 1 465 . 1 1 96 96 THR CB C 13 73.289 . . 1 . . 766 . A 96 THR CB . 34249 1 466 . 1 1 96 96 THR N N 15 115.995 0.021 . 1 . . 27 . A 96 THR N . 34249 1 467 . 1 1 97 97 LEU H H 1 8.718 0.005 . 1 . . 93 . A 97 LEU H . 34249 1 468 . 1 1 97 97 LEU HA H 1 4.354 . . 1 . . 750 . A 97 LEU HA . 34249 1 469 . 1 1 97 97 LEU C C 13 176.080 . . 1 . . 509 . A 97 LEU C . 34249 1 470 . 1 1 97 97 LEU CA C 13 53.566 . . 1 . . 754 . A 97 LEU CA . 34249 1 471 . 1 1 97 97 LEU CB C 13 44.366 . . 1 . . 752 . A 97 LEU CB . 34249 1 472 . 1 1 97 97 LEU N N 15 119.526 0.008 . 1 . . 92 . A 97 LEU N . 34249 1 473 . 1 1 98 98 ARG H H 1 9.490 0.003 . 1 . . 63 . A 98 ARG H . 34249 1 474 . 1 1 98 98 ARG HA H 1 3.852 . . 1 . . 769 . A 98 ARG HA . 34249 1 475 . 1 1 98 98 ARG C C 13 175.943 . . 1 . . 514 . A 98 ARG C . 34249 1 476 . 1 1 98 98 ARG CA C 13 57.045 . . 1 . . 767 . A 98 ARG CA . 34249 1 477 . 1 1 98 98 ARG CB C 13 27.990 . . 1 . . 768 . A 98 ARG CB . 34249 1 478 . 1 1 98 98 ARG N N 15 129.132 0.05 . 1 . . 62 . A 98 ARG N . 34249 1 479 . 1 1 99 99 GLY H H 1 8.804 0.002 . 1 . . 163 . A 99 GLY H . 34249 1 480 . 1 1 99 99 GLY HA2 H 1 4.197 . . 2 . . 771 . A 99 GLY HA2 . 34249 1 481 . 1 1 99 99 GLY HA3 H 1 3.477 . . 2 . . 772 . A 99 GLY HA3 . 34249 1 482 . 1 1 99 99 GLY C C 13 173.555 . . 1 . . 515 . A 99 GLY C . 34249 1 483 . 1 1 99 99 GLY CA C 13 44.944 . . 1 . . 770 . A 99 GLY CA . 34249 1 484 . 1 1 99 99 GLY N N 15 102.781 0.013 . 1 . . 162 . A 99 GLY N . 34249 1 485 . 1 1 100 100 ASN H H 1 7.638 0.003 . 1 . . 139 . A 100 ASN H . 34249 1 486 . 1 1 100 100 ASN N N 15 119.957 0.015 . 1 . . 138 . A 100 ASN N . 34249 1 487 . 1 1 101 101 PRO HA H 1 4.652 . . 1 . . 775 . A 101 PRO HA . 34249 1 488 . 1 1 101 101 PRO C C 13 177.118 . . 1 . . 516 . A 101 PRO C . 34249 1 489 . 1 1 101 101 PRO CA C 13 62.963 . . 1 . . 773 . A 101 PRO CA . 34249 1 490 . 1 1 101 101 PRO CB C 13 32.155 . . 1 . . 774 . A 101 PRO CB . 34249 1 491 . 1 1 102 102 ILE H H 1 7.694 0.004 . 1 . . 228 . A 102 ILE H . 34249 1 492 . 1 1 102 102 ILE HA H 1 5.166 . . 1 . . 778 . A 102 ILE HA . 34249 1 493 . 1 1 102 102 ILE C C 13 174.054 . . 1 . . 517 . A 102 ILE C . 34249 1 494 . 1 1 102 102 ILE CA C 13 60.320 . . 1 . . 776 . A 102 ILE CA . 34249 1 495 . 1 1 102 102 ILE CB C 13 36.196 . . 1 . . 777 . A 102 ILE CB . 34249 1 496 . 1 1 102 102 ILE N N 15 113.943 0.069 . 1 . . 227 . A 102 ILE N . 34249 1 497 . 1 1 103 103 LYS H H 1 7.713 0.004 . 1 . . 120 . A 103 LYS H . 34249 1 498 . 1 1 103 103 LYS HA H 1 3.988 . . 1 . . 801 . A 103 LYS HA . 34249 1 499 . 1 1 103 103 LYS C C 13 177.096 . . 1 . . 518 . A 103 LYS C . 34249 1 500 . 1 1 103 103 LYS N N 15 120.254 0.029 . 1 . . 119 . A 103 LYS N . 34249 1 501 . 1 1 104 104 ASN H H 1 9.033 0.002 . 1 . . 237 . A 104 ASN H . 34249 1 502 . 1 1 104 104 ASN HA H 1 4.368 . . 1 . . 781 . A 104 ASN HA . 34249 1 503 . 1 1 104 104 ASN C C 13 173.536 . . 1 . . 519 . A 104 ASN C . 34249 1 504 . 1 1 104 104 ASN CA C 13 54.927 . . 1 . . 779 . A 104 ASN CA . 34249 1 505 . 1 1 104 104 ASN CB C 13 37.414 . . 1 . . 780 . A 104 ASN CB . 34249 1 506 . 1 1 104 104 ASN N N 15 117.416 0.004 . 1 . . 236 . A 104 ASN N . 34249 1 507 . 1 1 105 105 MET H H 1 7.497 0.004 . 1 . . 170 . A 105 MET H . 34249 1 508 . 1 1 105 105 MET N N 15 115.945 0.014 . 1 . . 169 . A 105 MET N . 34249 1 509 . 1 1 106 106 PRO HA H 1 4.948 . . 1 . . 784 . A 106 PRO HA . 34249 1 510 . 1 1 106 106 PRO C C 13 175.269 . . 1 . . 520 . A 106 PRO C . 34249 1 511 . 1 1 106 106 PRO CA C 13 63.038 . . 1 . . 782 . A 106 PRO CA . 34249 1 512 . 1 1 106 106 PRO CB C 13 35.855 . . 1 . . 783 . A 106 PRO CB . 34249 1 513 . 1 1 107 107 ILE H H 1 9.138 0.001 . 1 . . 183 . A 107 ILE H . 34249 1 514 . 1 1 107 107 ILE HA H 1 4.571 . . 1 . . 787 . A 107 ILE HA . 34249 1 515 . 1 1 107 107 ILE C C 13 172.987 . . 1 . . 521 . A 107 ILE C . 34249 1 516 . 1 1 107 107 ILE CA C 13 59.951 . . 1 . . 785 . A 107 ILE CA . 34249 1 517 . 1 1 107 107 ILE CB C 13 42.746 . . 1 . . 786 . A 107 ILE CB . 34249 1 518 . 1 1 107 107 ILE N N 15 119.748 0.01 . 1 . . 182 . A 107 ILE N . 34249 1 519 . 1 1 108 108 ASP H H 1 8.241 0.003 . 1 . . 99 . A 108 ASP H . 34249 1 520 . 1 1 108 108 ASP HA H 1 5.556 . . 1 . . 790 . A 108 ASP HA . 34249 1 521 . 1 1 108 108 ASP C C 13 175.510 . . 1 . . 522 . A 108 ASP C . 34249 1 522 . 1 1 108 108 ASP CA C 13 54.277 . . 1 . . 788 . A 108 ASP CA . 34249 1 523 . 1 1 108 108 ASP CB C 13 42.770 . . 1 . . 789 . A 108 ASP CB . 34249 1 524 . 1 1 108 108 ASP N N 15 125.612 0.011 . 1 . . 98 . A 108 ASP N . 34249 1 525 . 1 1 109 109 VAL H H 1 9.664 0.002 . 1 . . 141 . A 109 VAL H . 34249 1 526 . 1 1 109 109 VAL HA H 1 4.106 . . 1 . . 719 . A 109 VAL HA . 34249 1 527 . 1 1 109 109 VAL C C 13 173.479 . . 1 . . 523 . A 109 VAL C . 34249 1 528 . 1 1 109 109 VAL CA C 13 61.159 . . 1 . . 720 . A 109 VAL CA . 34249 1 529 . 1 1 109 109 VAL CB C 13 35.054 . . 1 . . 721 . A 109 VAL CB . 34249 1 530 . 1 1 109 109 VAL N N 15 126.815 0.013 . 1 . . 140 . A 109 VAL N . 34249 1 531 . 1 1 110 110 LYS H H 1 8.416 0.003 . 1 . . 32 . A 110 LYS H . 34249 1 532 . 1 1 110 110 LYS HA H 1 4.706 . . 1 . . 793 . A 110 LYS HA . 34249 1 533 . 1 1 110 110 LYS C C 13 174.833 . . 1 . . 524 . A 110 LYS C . 34249 1 534 . 1 1 110 110 LYS CA C 13 55.736 . . 1 . . 791 . A 110 LYS CA . 34249 1 535 . 1 1 110 110 LYS CB C 13 33.490 . . 1 . . 792 . A 110 LYS CB . 34249 1 536 . 1 1 110 110 LYS N N 15 126.752 0.017 . 1 . . 31 . A 110 LYS N . 34249 1 537 . 1 1 111 111 CYS H H 1 9.323 0.003 . 1 . . 30 . A 111 CYS H . 34249 1 538 . 1 1 111 111 CYS HA H 1 5.072 . . 1 . . 660 . A 111 CYS HA . 34249 1 539 . 1 1 111 111 CYS C C 13 175.312 . . 1 . . 480 . A 111 CYS C . 34249 1 540 . 1 1 111 111 CYS CA C 13 54.651 . . 1 . . 663 . A 111 CYS CA . 34249 1 541 . 1 1 111 111 CYS CB C 13 29.407 . . 1 . . 664 . A 111 CYS CB . 34249 1 542 . 1 1 111 111 CYS N N 15 125.070 0.008 . 1 . . 29 . A 111 CYS N . 34249 1 543 . 1 1 112 112 ILE H H 1 8.689 0.005 . 1 . . 128 . A 112 ILE H . 34249 1 544 . 1 1 112 112 ILE HA H 1 4.801 . . 1 . . 796 . A 112 ILE HA . 34249 1 545 . 1 1 112 112 ILE C C 13 174.422 . . 1 . . 525 . A 112 ILE C . 34249 1 546 . 1 1 112 112 ILE CA C 13 59.225 . . 1 . . 794 . A 112 ILE CA . 34249 1 547 . 1 1 112 112 ILE CB C 13 41.201 . . 1 . . 795 . A 112 ILE CB . 34249 1 548 . 1 1 112 112 ILE N N 15 126.192 0.042 . 1 . . 127 . A 112 ILE N . 34249 1 549 . 1 1 113 113 GLU H H 1 8.465 0.001 . 1 . . 178 . A 113 GLU H . 34249 1 550 . 1 1 113 113 GLU HA H 1 4.138 . . 1 . . 805 . A 113 GLU HA . 34249 1 551 . 1 1 113 113 GLU C C 13 177.111 . . 1 . . 803 . A 113 GLU C . 34249 1 552 . 1 1 113 113 GLU CA C 13 57.325 . . 1 . . 802 . A 113 GLU CA . 34249 1 553 . 1 1 113 113 GLU CB C 13 30.244 . . 1 . . 804 . A 113 GLU CB . 34249 1 554 . 1 1 113 113 GLU N N 15 121.628 0.005 . 1 . . 177 . A 113 GLU N . 34249 1 555 . 1 1 114 114 GLY H H 1 8.737 0.001 . 1 . . 181 . A 114 GLY H . 34249 1 556 . 1 1 114 114 GLY N N 15 119.586 0.011 . 1 . . 180 . A 114 GLY N . 34249 1 stop_ save_