data_25943 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25943 _Entry.Title ; 3D NMR solution structure of NLRP3 PYD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-07 _Entry.Accession_date 2016-01-07 _Entry.Last_release_date 2016-07-25 _Entry.Original_release_date 2016-07-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Eva 'de Alba' . . . . 25943 2 Javier Oroz . . . . 25943 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25943 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Death Domain Superfamily' . 25943 PYD . 25943 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25943 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 25943 '15N chemical shifts' 84 25943 '1H chemical shifts' 614 25943 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 . . 2016-10-18 2016-01-07 update BMRB 'update entry citation' 25943 1 . . 2016-07-25 2016-01-07 original author 'original release' 25943 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NAQ 'BMRB Entry Tracking System' 25943 stop_ save_ ############### # Citations # ############### save_NLRP3_PYD _Citation.Sf_category citations _Citation.Sf_framecode NLRP3_PYD _Citation.Entry_ID 25943 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27432880 _Citation.Full_citation . _Citation.Title ; Asc pyrin domain self-associates and binds nlrp3 using Equivalent binding interfaces ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 37 _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 19487 _Citation.Page_last 19501 _Citation.Year 2016 _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 Javier Oroz . . . . 25943 1 2 Susana Barrera-Vilarmau . . . . 25943 1 3 Carlos Alfonso . . . . 25943 1 4 German Rivas . . . . 25943 1 5 Eva 'de Alba' . . . . 25943 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25943 _Assembly.ID 1 _Assembly.Name 'NLRP3 PYD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 $entity A . yes native no no . . . 25943 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25943 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MASTRCKLARYLEDLEDVDL KKFKMHLEDYPPQKGCIPLP RGQTEKADHVDLATLMIDFN GEEKAWAMAVWIFAAINRRD LYEKAKRDEPK ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10643.387 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25943 1 2 2 ALA . 25943 1 3 3 SER . 25943 1 4 4 THR . 25943 1 5 5 ARG . 25943 1 6 6 CYS . 25943 1 7 7 LYS . 25943 1 8 8 LEU . 25943 1 9 9 ALA . 25943 1 10 10 ARG . 25943 1 11 11 TYR . 25943 1 12 12 LEU . 25943 1 13 13 GLU . 25943 1 14 14 ASP . 25943 1 15 15 LEU . 25943 1 16 16 GLU . 25943 1 17 17 ASP . 25943 1 18 18 VAL . 25943 1 19 19 ASP . 25943 1 20 20 LEU . 25943 1 21 21 LYS . 25943 1 22 22 LYS . 25943 1 23 23 PHE . 25943 1 24 24 LYS . 25943 1 25 25 MET . 25943 1 26 26 HIS . 25943 1 27 27 LEU . 25943 1 28 28 GLU . 25943 1 29 29 ASP . 25943 1 30 30 TYR . 25943 1 31 31 PRO . 25943 1 32 32 PRO . 25943 1 33 33 GLN . 25943 1 34 34 LYS . 25943 1 35 35 GLY . 25943 1 36 36 CYS . 25943 1 37 37 ILE . 25943 1 38 38 PRO . 25943 1 39 39 LEU . 25943 1 40 40 PRO . 25943 1 41 41 ARG . 25943 1 42 42 GLY . 25943 1 43 43 GLN . 25943 1 44 44 THR . 25943 1 45 45 GLU . 25943 1 46 46 LYS . 25943 1 47 47 ALA . 25943 1 48 48 ASP . 25943 1 49 49 HIS . 25943 1 50 50 VAL . 25943 1 51 51 ASP . 25943 1 52 52 LEU . 25943 1 53 53 ALA . 25943 1 54 54 THR . 25943 1 55 55 LEU . 25943 1 56 56 MET . 25943 1 57 57 ILE . 25943 1 58 58 ASP . 25943 1 59 59 PHE . 25943 1 60 60 ASN . 25943 1 61 61 GLY . 25943 1 62 62 GLU . 25943 1 63 63 GLU . 25943 1 64 64 LYS . 25943 1 65 65 ALA . 25943 1 66 66 TRP . 25943 1 67 67 ALA . 25943 1 68 68 MET . 25943 1 69 69 ALA . 25943 1 70 70 VAL . 25943 1 71 71 TRP . 25943 1 72 72 ILE . 25943 1 73 73 PHE . 25943 1 74 74 ALA . 25943 1 75 75 ALA . 25943 1 76 76 ILE . 25943 1 77 77 ASN . 25943 1 78 78 ARG . 25943 1 79 79 ARG . 25943 1 80 80 ASP . 25943 1 81 81 LEU . 25943 1 82 82 TYR . 25943 1 83 83 GLU . 25943 1 84 84 LYS . 25943 1 85 85 ALA . 25943 1 86 86 LYS . 25943 1 87 87 ARG . 25943 1 88 88 ASP . 25943 1 89 89 GLU . 25943 1 90 90 PRO . 25943 1 91 91 LYS . 25943 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 25943 1 . ALA 2 2 25943 1 . SER 3 3 25943 1 . THR 4 4 25943 1 . ARG 5 5 25943 1 . CYS 6 6 25943 1 . LYS 7 7 25943 1 . LEU 8 8 25943 1 . ALA 9 9 25943 1 . ARG 10 10 25943 1 . TYR 11 11 25943 1 . LEU 12 12 25943 1 . GLU 13 13 25943 1 . ASP 14 14 25943 1 . LEU 15 15 25943 1 . GLU 16 16 25943 1 . ASP 17 17 25943 1 . VAL 18 18 25943 1 . ASP 19 19 25943 1 . LEU 20 20 25943 1 . LYS 21 21 25943 1 . LYS 22 22 25943 1 . PHE 23 23 25943 1 . LYS 24 24 25943 1 . MET 25 25 25943 1 . HIS 26 26 25943 1 . LEU 27 27 25943 1 . GLU 28 28 25943 1 . ASP 29 29 25943 1 . TYR 30 30 25943 1 . PRO 31 31 25943 1 . PRO 32 32 25943 1 . GLN 33 33 25943 1 . LYS 34 34 25943 1 . GLY 35 35 25943 1 . CYS 36 36 25943 1 . ILE 37 37 25943 1 . PRO 38 38 25943 1 . LEU 39 39 25943 1 . PRO 40 40 25943 1 . ARG 41 41 25943 1 . GLY 42 42 25943 1 . GLN 43 43 25943 1 . THR 44 44 25943 1 . GLU 45 45 25943 1 . LYS 46 46 25943 1 . ALA 47 47 25943 1 . ASP 48 48 25943 1 . HIS 49 49 25943 1 . VAL 50 50 25943 1 . ASP 51 51 25943 1 . LEU 52 52 25943 1 . ALA 53 53 25943 1 . THR 54 54 25943 1 . LEU 55 55 25943 1 . MET 56 56 25943 1 . ILE 57 57 25943 1 . ASP 58 58 25943 1 . PHE 59 59 25943 1 . ASN 60 60 25943 1 . GLY 61 61 25943 1 . GLU 62 62 25943 1 . GLU 63 63 25943 1 . LYS 64 64 25943 1 . ALA 65 65 25943 1 . TRP 66 66 25943 1 . ALA 67 67 25943 1 . MET 68 68 25943 1 . ALA 69 69 25943 1 . VAL 70 70 25943 1 . TRP 71 71 25943 1 . ILE 72 72 25943 1 . PHE 73 73 25943 1 . ALA 74 74 25943 1 . ALA 75 75 25943 1 . ILE 76 76 25943 1 . ASN 77 77 25943 1 . ARG 78 78 25943 1 . ARG 79 79 25943 1 . ASP 80 80 25943 1 . LEU 81 81 25943 1 . TYR 82 82 25943 1 . GLU 83 83 25943 1 . LYS 84 84 25943 1 . ALA 85 85 25943 1 . LYS 86 86 25943 1 . ARG 87 87 25943 1 . ASP 88 88 25943 1 . GLU 89 89 25943 1 . PRO 90 90 25943 1 . LYS 91 91 25943 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 25943 _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 . 9606 organism . 'Homo sapiens' humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25943 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 25943 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-15b . . . 25943 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25943 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-13C; U-15N]' . . 1 $entity . . . 100 200 uM . . . . 25943 1 2 TCEP [U-2H] . . . . . . 5 . . mM . . . . 25943 1 3 'sodium azide' 'natural abundance' . . . . . . 100 . . uM . . . . 25943 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25943 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25943 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 25943 _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' 0.0051 . M 25943 1 pH 3.6 . pH 25943 1 pressure 1 . atm 25943 1 temperature 303 . K 25943 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25943 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25943 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25943 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25943 _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' . . 25943 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25943 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25943 _Software.ID 3 _Software.Name NMRDraw _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' . . 25943 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25943 3 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 25943 _Software.ID 4 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 25943 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25943 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25943 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25943 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25943 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25943 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25943 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25943 6 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25943 _Software.ID 7 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25943 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25943 7 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25943 _Software.ID 8 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25943 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25943 8 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 25943 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25943 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Avance III' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25943 _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 Bruker Avance . 600 Cryoprobe . . 25943 1 2 spectrometer_2 Bruker Avance . 600 'Avance III' . . 25943 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 25943 _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 . . . . . . . . . . . . . . . . 25943 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25943 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25943 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 25943 _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 0.00 na indirect 0.251449530 . . . . . 25943 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25943 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25943 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 25943 _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' . . . 25943 1 2 '3D HNCACB' . . . 25943 1 3 '3D CBCA(CO)NH' . . . 25943 1 4 '3D HBHA(CO)NH' . . . 25943 1 5 '3D H(CCO)NH' . . . 25943 1 6 '3D HCCH-TOCSY' . . . 25943 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 2 2 ALA HA H 1 4.1560 . . . . . . A 2 ALA HA . 25943 1 2 . 1 1 2 2 ALA HB1 H 1 1.5270 . . . . . . A 2 ALA HB1 . 25943 1 3 . 1 1 2 2 ALA HB2 H 1 1.5270 . . . . . . A 2 ALA HB2 . 25943 1 4 . 1 1 2 2 ALA HB3 H 1 1.5270 . . . . . . A 2 ALA HB3 . 25943 1 5 . 1 1 2 2 ALA CA C 13 51.7030 . . . . . . A 2 ALA CA . 25943 1 6 . 1 1 2 2 ALA CB C 13 19.6410 . . . . . . A 2 ALA CB . 25943 1 7 . 1 1 3 3 SER H H 1 8.7570 . . . . . . A 3 SER H . 25943 1 8 . 1 1 3 3 SER HA H 1 4.6960 . . . . . . A 3 SER HA . 25943 1 9 . 1 1 3 3 SER HB2 H 1 4.1150 . . . . . . A 3 SER HB2 . 25943 1 10 . 1 1 3 3 SER HB3 H 1 3.9070 . . . . . . A 3 SER HB3 . 25943 1 11 . 1 1 3 3 SER CA C 13 57.7560 . . . . . . A 3 SER CA . 25943 1 12 . 1 1 3 3 SER CB C 13 64.3250 . . . . . . A 3 SER CB . 25943 1 13 . 1 1 3 3 SER N N 15 115.8500 . . . . . . A 3 SER N . 25943 1 14 . 1 1 4 4 THR H H 1 8.8540 . . . . . . A 4 THR H . 25943 1 15 . 1 1 4 4 THR HA H 1 4.2130 . . . . . . A 4 THR HA . 25943 1 16 . 1 1 4 4 THR HB H 1 4.3300 . . . . . . A 4 THR HB . 25943 1 17 . 1 1 4 4 THR HG21 H 1 1.2650 . . . . . . A 4 THR HG21 . 25943 1 18 . 1 1 4 4 THR HG22 H 1 1.2650 . . . . . . A 4 THR HG22 . 25943 1 19 . 1 1 4 4 THR HG23 H 1 1.2650 . . . . . . A 4 THR HG23 . 25943 1 20 . 1 1 4 4 THR CA C 13 64.7140 . . . . . . A 4 THR CA . 25943 1 21 . 1 1 4 4 THR CB C 13 68.8640 . . . . . . A 4 THR CB . 25943 1 22 . 1 1 4 4 THR CG2 C 13 22.3490 . . . . . . A 4 THR CG2 . 25943 1 23 . 1 1 4 4 THR N N 15 118.5900 . . . . . . A 4 THR N . 25943 1 24 . 1 1 5 5 ARG H H 1 8.5350 . . . . . . A 5 ARG H . 25943 1 25 . 1 1 5 5 ARG HA H 1 3.9690 . . . . . . A 5 ARG HA . 25943 1 26 . 1 1 5 5 ARG HB2 H 1 1.8270 . . . . . . A 5 ARG HB2 . 25943 1 27 . 1 1 5 5 ARG HB3 H 1 1.8270 . . . . . . A 5 ARG HB3 . 25943 1 28 . 1 1 5 5 ARG HG2 H 1 1.9750 . . . . . . A 5 ARG HG2 . 25943 1 29 . 1 1 5 5 ARG HG3 H 1 1.9750 . . . . . . A 5 ARG HG3 . 25943 1 30 . 1 1 5 5 ARG HD2 H 1 3.7520 . . . . . . A 5 ARG HD2 . 25943 1 31 . 1 1 5 5 ARG HD3 H 1 3.5710 . . . . . . A 5 ARG HD3 . 25943 1 32 . 1 1 5 5 ARG CA C 13 59.2590 . . . . . . A 5 ARG CA . 25943 1 33 . 1 1 5 5 ARG CB C 13 30.2710 . . . . . . A 5 ARG CB . 25943 1 34 . 1 1 5 5 ARG N N 15 122.2400 . . . . . . A 5 ARG N . 25943 1 35 . 1 1 6 6 CYS H H 1 8.1740 . . . . . . A 6 CYS H . 25943 1 36 . 1 1 6 6 CYS HA H 1 4.2470 . . . . . . A 6 CYS HA . 25943 1 37 . 1 1 6 6 CYS HB2 H 1 2.9870 . . . . . . A 6 CYS HB2 . 25943 1 38 . 1 1 6 6 CYS HB3 H 1 2.9870 . . . . . . A 6 CYS HB3 . 25943 1 39 . 1 1 6 6 CYS CA C 13 61.2240 . . . . . . A 6 CYS CA . 25943 1 40 . 1 1 6 6 CYS CB C 13 27.2030 . . . . . . A 6 CYS CB . 25943 1 41 . 1 1 6 6 CYS N N 15 118.4000 . . . . . . A 6 CYS N . 25943 1 42 . 1 1 7 7 LYS H H 1 8.3953 . . . . . . A 7 LYS H . 25943 1 43 . 1 1 7 7 LYS HA H 1 4.0680 . . . . . . A 7 LYS HA . 25943 1 44 . 1 1 7 7 LYS HB2 H 1 2.0350 . . . . . . A 7 LYS HB2 . 25943 1 45 . 1 1 7 7 LYS HB3 H 1 2.0350 . . . . . . A 7 LYS HB3 . 25943 1 46 . 1 1 7 7 LYS HG2 H 1 1.6200 . . . . . . A 7 LYS HG2 . 25943 1 47 . 1 1 7 7 LYS HG3 H 1 1.4720 . . . . . . A 7 LYS HG3 . 25943 1 48 . 1 1 7 7 LYS HD2 H 1 1.6390 . . . . . . A 7 LYS HD2 . 25943 1 49 . 1 1 7 7 LYS HD3 H 1 1.6390 . . . . . . A 7 LYS HD3 . 25943 1 50 . 1 1 7 7 LYS HE2 H 1 2.8220 . . . . . . A 7 LYS HE2 . 25943 1 51 . 1 1 7 7 LYS HE3 H 1 2.8220 . . . . . . A 7 LYS HE3 . 25943 1 52 . 1 1 7 7 LYS CA C 13 59.6840 . . . . . . A 7 LYS CA . 25943 1 53 . 1 1 7 7 LYS CB C 13 32.8370 . . . . . . A 7 LYS CB . 25943 1 54 . 1 1 7 7 LYS CG C 13 25.5890 . . . . . . A 7 LYS CG . 25943 1 55 . 1 1 7 7 LYS CD C 13 29.3020 . . . . . . A 7 LYS CD . 25943 1 56 . 1 1 7 7 LYS CE C 13 42.0270 . . . . . . A 7 LYS CE . 25943 1 57 . 1 1 7 7 LYS N N 15 123.0837 . . . . . . A 7 LYS N . 25943 1 58 . 1 1 8 8 LEU H H 1 8.5460 . . . . . . A 8 LEU H . 25943 1 59 . 1 1 8 8 LEU HA H 1 3.9740 . . . . . . A 8 LEU HA . 25943 1 60 . 1 1 8 8 LEU HB2 H 1 1.7210 . . . . . . A 8 LEU HB2 . 25943 1 61 . 1 1 8 8 LEU HB3 H 1 1.3410 . . . . . . A 8 LEU HB3 . 25943 1 62 . 1 1 8 8 LEU HG H 1 1.3030 . . . . . . A 8 LEU HG . 25943 1 63 . 1 1 8 8 LEU HD11 H 1 0.2740 . . . . . . A 8 LEU HD11 . 25943 1 64 . 1 1 8 8 LEU HD12 H 1 0.2740 . . . . . . A 8 LEU HD12 . 25943 1 65 . 1 1 8 8 LEU HD13 H 1 0.2740 . . . . . . A 8 LEU HD13 . 25943 1 66 . 1 1 8 8 LEU HD21 H 1 0.6800 . . . . . . A 8 LEU HD21 . 25943 1 67 . 1 1 8 8 LEU HD22 H 1 0.6800 . . . . . . A 8 LEU HD22 . 25943 1 68 . 1 1 8 8 LEU HD23 H 1 0.6800 . . . . . . A 8 LEU HD23 . 25943 1 69 . 1 1 8 8 LEU CA C 13 58.2380 . . . . . . A 8 LEU CA . 25943 1 70 . 1 1 8 8 LEU CB C 13 41.4540 . . . . . . A 8 LEU CB . 25943 1 71 . 1 1 8 8 LEU CG C 13 27.1960 . . . . . . A 8 LEU CG . 25943 1 72 . 1 1 8 8 LEU CD1 C 13 21.5620 . . . . . . A 8 LEU CD1 . 25943 1 73 . 1 1 8 8 LEU CD2 C 13 25.5380 . . . . . . A 8 LEU CD2 . 25943 1 74 . 1 1 8 8 LEU N N 15 120.1100 . . . . . . A 8 LEU N . 25943 1 75 . 1 1 9 9 ALA H H 1 8.0760 . . . . . . A 9 ALA H . 25943 1 76 . 1 1 9 9 ALA HA H 1 3.8760 . . . . . . A 9 ALA HA . 25943 1 77 . 1 1 9 9 ALA HB1 H 1 1.4560 . . . . . . A 9 ALA HB1 . 25943 1 78 . 1 1 9 9 ALA HB2 H 1 1.4560 . . . . . . A 9 ALA HB2 . 25943 1 79 . 1 1 9 9 ALA HB3 H 1 1.4560 . . . . . . A 9 ALA HB3 . 25943 1 80 . 1 1 9 9 ALA CA C 13 55.6360 . . . . . . A 9 ALA CA . 25943 1 81 . 1 1 9 9 ALA CB C 13 18.5750 . . . . . . A 9 ALA CB . 25943 1 82 . 1 1 9 9 ALA N N 15 118.9100 . . . . . . A 9 ALA N . 25943 1 83 . 1 1 10 10 ARG H H 1 7.5560 . . . . . . A 10 ARG H . 25943 1 84 . 1 1 10 10 ARG HA H 1 3.9520 . . . . . . A 10 ARG HA . 25943 1 85 . 1 1 10 10 ARG HB2 H 1 1.8120 . . . . . . A 10 ARG HB2 . 25943 1 86 . 1 1 10 10 ARG HB3 H 1 1.8120 . . . . . . A 10 ARG HB3 . 25943 1 87 . 1 1 10 10 ARG HG2 H 1 1.5070 . . . . . . A 10 ARG HG2 . 25943 1 88 . 1 1 10 10 ARG HG3 H 1 1.5070 . . . . . . A 10 ARG HG3 . 25943 1 89 . 1 1 10 10 ARG HD2 H 1 3.0770 . . . . . . A 10 ARG HD2 . 25943 1 90 . 1 1 10 10 ARG HD3 H 1 3.0770 . . . . . . A 10 ARG HD3 . 25943 1 91 . 1 1 10 10 ARG CA C 13 58.7100 . . . . . . A 10 ARG CA . 25943 1 92 . 1 1 10 10 ARG CB C 13 29.7240 . . . . . . A 10 ARG CB . 25943 1 93 . 1 1 10 10 ARG CG C 13 27.1380 . . . . . . A 10 ARG CG . 25943 1 94 . 1 1 10 10 ARG CD C 13 43.1740 . . . . . . A 10 ARG CD . 25943 1 95 . 1 1 10 10 ARG N N 15 116.7600 . . . . . . A 10 ARG N . 25943 1 96 . 1 1 11 11 TYR H H 1 7.5100 . . . . . . A 11 TYR H . 25943 1 97 . 1 1 11 11 TYR HA H 1 4.3470 . . . . . . A 11 TYR HA . 25943 1 98 . 1 1 11 11 TYR HB2 H 1 3.0310 . . . . . . A 11 TYR HB2 . 25943 1 99 . 1 1 11 11 TYR HB3 H 1 3.0310 . . . . . . A 11 TYR HB3 . 25943 1 100 . 1 1 11 11 TYR HD1 H 1 7.0430 . . . . . . A 11 TYR HD1 . 25943 1 101 . 1 1 11 11 TYR HD2 H 1 7.0430 . . . . . . A 11 TYR HD2 . 25943 1 102 . 1 1 11 11 TYR HE1 H 1 6.7590 . . . . . . A 11 TYR HE1 . 25943 1 103 . 1 1 11 11 TYR HE2 H 1 6.7590 . . . . . . A 11 TYR HE2 . 25943 1 104 . 1 1 11 11 TYR CA C 13 61.6980 . . . . . . A 11 TYR CA . 25943 1 105 . 1 1 11 11 TYR CB C 13 38.3080 . . . . . . A 11 TYR CB . 25943 1 106 . 1 1 11 11 TYR CD1 C 13 133.2180 . . . . . . A 11 TYR CD1 . 25943 1 107 . 1 1 11 11 TYR CD2 C 13 133.2180 . . . . . . A 11 TYR CD2 . 25943 1 108 . 1 1 11 11 TYR CE1 C 13 118.1520 . . . . . . A 11 TYR CE1 . 25943 1 109 . 1 1 11 11 TYR CE2 C 13 118.1520 . . . . . . A 11 TYR CE2 . 25943 1 110 . 1 1 11 11 TYR N N 15 117.1020 . . . . . . A 11 TYR N . 25943 1 111 . 1 1 12 12 LEU H H 1 7.8930 . . . . . . A 12 LEU H . 25943 1 112 . 1 1 12 12 LEU HA H 1 3.8970 . . . . . . A 12 LEU HA . 25943 1 113 . 1 1 12 12 LEU HB2 H 1 1.9630 . . . . . . A 12 LEU HB2 . 25943 1 114 . 1 1 12 12 LEU HB3 H 1 1.1400 . . . . . . A 12 LEU HB3 . 25943 1 115 . 1 1 12 12 LEU HG H 1 1.7260 . . . . . . A 12 LEU HG . 25943 1 116 . 1 1 12 12 LEU HD11 H 1 0.7170 . . . . . . A 12 LEU HD11 . 25943 1 117 . 1 1 12 12 LEU HD12 H 1 0.7170 . . . . . . A 12 LEU HD12 . 25943 1 118 . 1 1 12 12 LEU HD13 H 1 0.7170 . . . . . . A 12 LEU HD13 . 25943 1 119 . 1 1 12 12 LEU HD21 H 1 0.1460 . . . . . . A 12 LEU HD21 . 25943 1 120 . 1 1 12 12 LEU HD22 H 1 0.1460 . . . . . . A 12 LEU HD22 . 25943 1 121 . 1 1 12 12 LEU HD23 H 1 0.1460 . . . . . . A 12 LEU HD23 . 25943 1 122 . 1 1 12 12 LEU CA C 13 57.5760 . . . . . . A 12 LEU CA . 25943 1 123 . 1 1 12 12 LEU CB C 13 40.9460 . . . . . . A 12 LEU CB . 25943 1 124 . 1 1 12 12 LEU CG C 13 27.0220 . . . . . . A 12 LEU CG . 25943 1 125 . 1 1 12 12 LEU CD1 C 13 25.7590 . . . . . . A 12 LEU CD1 . 25943 1 126 . 1 1 12 12 LEU CD2 C 13 22.8600 . . . . . . A 12 LEU CD2 . 25943 1 127 . 1 1 12 12 LEU N N 15 116.7910 . . . . . . A 12 LEU N . 25943 1 128 . 1 1 13 13 GLU H H 1 7.9750 . . . . . . A 13 GLU H . 25943 1 129 . 1 1 13 13 GLU HA H 1 3.2480 . . . . . . A 13 GLU HA . 25943 1 130 . 1 1 13 13 GLU HB2 H 1 1.9150 . . . . . . A 13 GLU HB2 . 25943 1 131 . 1 1 13 13 GLU HB3 H 1 1.9150 . . . . . . A 13 GLU HB3 . 25943 1 132 . 1 1 13 13 GLU HG2 H 1 2.1350 . . . . . . A 13 GLU HG2 . 25943 1 133 . 1 1 13 13 GLU HG3 H 1 2.1000 . . . . . . A 13 GLU HG3 . 25943 1 134 . 1 1 13 13 GLU CA C 13 57.6660 . . . . . . A 13 GLU CA . 25943 1 135 . 1 1 13 13 GLU CB C 13 28.2530 . . . . . . A 13 GLU CB . 25943 1 136 . 1 1 13 13 GLU CG C 13 34.1430 . . . . . . A 13 GLU CG . 25943 1 137 . 1 1 13 13 GLU N N 15 117.8660 . . . . . . A 13 GLU N . 25943 1 138 . 1 1 14 14 ASP H H 1 7.2930 . . . . . . A 14 ASP H . 25943 1 139 . 1 1 14 14 ASP HA H 1 4.6370 . . . . . . A 14 ASP HA . 25943 1 140 . 1 1 14 14 ASP HB2 H 1 3.0220 . . . . . . A 14 ASP HB2 . 25943 1 141 . 1 1 14 14 ASP HB3 H 1 3.0220 . . . . . . A 14 ASP HB3 . 25943 1 142 . 1 1 14 14 ASP CA C 13 54.1350 . . . . . . A 14 ASP CA . 25943 1 143 . 1 1 14 14 ASP CB C 13 38.6540 . . . . . . A 14 ASP CB . 25943 1 144 . 1 1 14 14 ASP N N 15 116.1900 . . . . . . A 14 ASP N . 25943 1 145 . 1 1 15 15 LEU H H 1 7.3010 . . . . . . A 15 LEU H . 25943 1 146 . 1 1 15 15 LEU HA H 1 4.3090 . . . . . . A 15 LEU HA . 25943 1 147 . 1 1 15 15 LEU HB2 H 1 2.0770 . . . . . . A 15 LEU HB2 . 25943 1 148 . 1 1 15 15 LEU HB3 H 1 1.2700 . . . . . . A 15 LEU HB3 . 25943 1 149 . 1 1 15 15 LEU HG H 1 1.8130 . . . . . . A 15 LEU HG . 25943 1 150 . 1 1 15 15 LEU HD11 H 1 0.8170 . . . . . . A 15 LEU HD11 . 25943 1 151 . 1 1 15 15 LEU HD12 H 1 0.8170 . . . . . . A 15 LEU HD12 . 25943 1 152 . 1 1 15 15 LEU HD13 H 1 0.8170 . . . . . . A 15 LEU HD13 . 25943 1 153 . 1 1 15 15 LEU HD21 H 1 0.6820 . . . . . . A 15 LEU HD21 . 25943 1 154 . 1 1 15 15 LEU HD22 H 1 0.6820 . . . . . . A 15 LEU HD22 . 25943 1 155 . 1 1 15 15 LEU HD23 H 1 0.6820 . . . . . . A 15 LEU HD23 . 25943 1 156 . 1 1 15 15 LEU CA C 13 54.6890 . . . . . . A 15 LEU CA . 25943 1 157 . 1 1 15 15 LEU CB C 13 41.9300 . . . . . . A 15 LEU CB . 25943 1 158 . 1 1 15 15 LEU CG C 13 26.1620 . . . . . . A 15 LEU CG . 25943 1 159 . 1 1 15 15 LEU CD1 C 13 24.5960 . . . . . . A 15 LEU CD1 . 25943 1 160 . 1 1 15 15 LEU CD2 C 13 27.0770 . . . . . . A 15 LEU CD2 . 25943 1 161 . 1 1 15 15 LEU N N 15 119.5300 . . . . . . A 15 LEU N . 25943 1 162 . 1 1 16 16 GLU H H 1 8.8370 . . . . . . A 16 GLU H . 25943 1 163 . 1 1 16 16 GLU HA H 1 4.5160 . . . . . . A 16 GLU HA . 25943 1 164 . 1 1 16 16 GLU HB2 H 1 2.4040 . . . . . . A 16 GLU HB2 . 25943 1 165 . 1 1 16 16 GLU HB3 H 1 2.0500 . . . . . . A 16 GLU HB3 . 25943 1 166 . 1 1 16 16 GLU HG2 H 1 2.5720 . . . . . . A 16 GLU HG2 . 25943 1 167 . 1 1 16 16 GLU HG3 H 1 2.5720 . . . . . . A 16 GLU HG3 . 25943 1 168 . 1 1 16 16 GLU CA C 13 55.8060 . . . . . . A 16 GLU CA . 25943 1 169 . 1 1 16 16 GLU CB C 13 29.2320 . . . . . . A 16 GLU CB . 25943 1 170 . 1 1 16 16 GLU CG C 13 34.2570 . . . . . . A 16 GLU CG . 25943 1 171 . 1 1 16 16 GLU N N 15 121.8400 . . . . . . A 16 GLU N . 25943 1 172 . 1 1 17 17 ASP H H 1 8.9510 . . . . . . A 17 ASP H . 25943 1 173 . 1 1 17 17 ASP HA H 1 4.3490 . . . . . . A 17 ASP HA . 25943 1 174 . 1 1 17 17 ASP HB2 H 1 2.7900 . . . . . . A 17 ASP HB2 . 25943 1 175 . 1 1 17 17 ASP HB3 H 1 2.7900 . . . . . . A 17 ASP HB3 . 25943 1 176 . 1 1 17 17 ASP CA C 13 58.7680 . . . . . . A 17 ASP CA . 25943 1 177 . 1 1 17 17 ASP CB C 13 40.3580 . . . . . . A 17 ASP CB . 25943 1 178 . 1 1 17 17 ASP N N 15 122.0700 . . . . . . A 17 ASP N . 25943 1 179 . 1 1 18 18 VAL H H 1 8.6130 . . . . . . A 18 VAL H . 25943 1 180 . 1 1 18 18 VAL HA H 1 3.8590 . . . . . . A 18 VAL HA . 25943 1 181 . 1 1 18 18 VAL HB H 1 2.1550 . . . . . . A 18 VAL HB . 25943 1 182 . 1 1 18 18 VAL HG11 H 1 0.9710 . . . . . . A 18 VAL HG11 . 25943 1 183 . 1 1 18 18 VAL HG12 H 1 0.9710 . . . . . . A 18 VAL HG12 . 25943 1 184 . 1 1 18 18 VAL HG13 H 1 0.9710 . . . . . . A 18 VAL HG13 . 25943 1 185 . 1 1 18 18 VAL HG21 H 1 1.0600 . . . . . . A 18 VAL HG21 . 25943 1 186 . 1 1 18 18 VAL HG22 H 1 1.0600 . . . . . . A 18 VAL HG22 . 25943 1 187 . 1 1 18 18 VAL HG23 H 1 1.0600 . . . . . . A 18 VAL HG23 . 25943 1 188 . 1 1 18 18 VAL CA C 13 65.9860 . . . . . . A 18 VAL CA . 25943 1 189 . 1 1 18 18 VAL CB C 13 31.5430 . . . . . . A 18 VAL CB . 25943 1 190 . 1 1 18 18 VAL CG1 C 13 20.9520 . . . . . . A 18 VAL CG1 . 25943 1 191 . 1 1 18 18 VAL CG2 C 13 21.8320 . . . . . . A 18 VAL CG2 . 25943 1 192 . 1 1 18 18 VAL N N 15 118.1500 . . . . . . A 18 VAL N . 25943 1 193 . 1 1 19 19 ASP H H 1 7.3580 . . . . . . A 19 ASP H . 25943 1 194 . 1 1 19 19 ASP HA H 1 4.7060 . . . . . . A 19 ASP HA . 25943 1 195 . 1 1 19 19 ASP HB2 H 1 2.9110 . . . . . . A 19 ASP HB2 . 25943 1 196 . 1 1 19 19 ASP HB3 H 1 2.7170 . . . . . . A 19 ASP HB3 . 25943 1 197 . 1 1 19 19 ASP CA C 13 56.8200 . . . . . . A 19 ASP CA . 25943 1 198 . 1 1 19 19 ASP CB C 13 41.8580 . . . . . . A 19 ASP CB . 25943 1 199 . 1 1 19 19 ASP N N 15 120.6000 . . . . . . A 19 ASP N . 25943 1 200 . 1 1 20 20 LEU H H 1 8.6350 . . . . . . A 20 LEU H . 25943 1 201 . 1 1 20 20 LEU HA H 1 4.1470 . . . . . . A 20 LEU HA . 25943 1 202 . 1 1 20 20 LEU HB2 H 1 2.0780 . . . . . . A 20 LEU HB2 . 25943 1 203 . 1 1 20 20 LEU HB3 H 1 1.4570 . . . . . . A 20 LEU HB3 . 25943 1 204 . 1 1 20 20 LEU HG H 1 1.5540 . . . . . . A 20 LEU HG . 25943 1 205 . 1 1 20 20 LEU HD11 H 1 0.8520 . . . . . . A 20 LEU HD11 . 25943 1 206 . 1 1 20 20 LEU HD12 H 1 0.8520 . . . . . . A 20 LEU HD12 . 25943 1 207 . 1 1 20 20 LEU HD13 H 1 0.8520 . . . . . . A 20 LEU HD13 . 25943 1 208 . 1 1 20 20 LEU HD21 H 1 0.8520 . . . . . . A 20 LEU HD21 . 25943 1 209 . 1 1 20 20 LEU HD22 H 1 0.8520 . . . . . . A 20 LEU HD22 . 25943 1 210 . 1 1 20 20 LEU HD23 H 1 0.8520 . . . . . . A 20 LEU HD23 . 25943 1 211 . 1 1 20 20 LEU CA C 13 58.1150 . . . . . . A 20 LEU CA . 25943 1 212 . 1 1 20 20 LEU CB C 13 40.9190 . . . . . . A 20 LEU CB . 25943 1 213 . 1 1 20 20 LEU CG C 13 27.0340 . . . . . . A 20 LEU CG . 25943 1 214 . 1 1 20 20 LEU CD1 C 13 23.6200 . . . . . . A 20 LEU CD1 . 25943 1 215 . 1 1 20 20 LEU CD2 C 13 23.6200 . . . . . . A 20 LEU CD2 . 25943 1 216 . 1 1 20 20 LEU N N 15 123.0200 . . . . . . A 20 LEU N . 25943 1 217 . 1 1 21 21 LYS H H 1 7.9140 . . . . . . A 21 LYS H . 25943 1 218 . 1 1 21 21 LYS HA H 1 4.0320 . . . . . . A 21 LYS HA . 25943 1 219 . 1 1 21 21 LYS HB2 H 1 2.0100 . . . . . . A 21 LYS HB2 . 25943 1 220 . 1 1 21 21 LYS HB3 H 1 2.0100 . . . . . . A 21 LYS HB3 . 25943 1 221 . 1 1 21 21 LYS HG2 H 1 1.6790 . . . . . . A 21 LYS HG2 . 25943 1 222 . 1 1 21 21 LYS HG3 H 1 1.6790 . . . . . . A 21 LYS HG3 . 25943 1 223 . 1 1 21 21 LYS HD2 H 1 1.6790 . . . . . . A 21 LYS HD2 . 25943 1 224 . 1 1 21 21 LYS HD3 H 1 1.6790 . . . . . . A 21 LYS HD3 . 25943 1 225 . 1 1 21 21 LYS HE2 H 1 2.9970 . . . . . . A 21 LYS HE2 . 25943 1 226 . 1 1 21 21 LYS HE3 H 1 2.9970 . . . . . . A 21 LYS HE3 . 25943 1 227 . 1 1 21 21 LYS CA C 13 60.3400 . . . . . . A 21 LYS CA . 25943 1 228 . 1 1 21 21 LYS CB C 13 32.2910 . . . . . . A 21 LYS CB . 25943 1 229 . 1 1 21 21 LYS N N 15 119.1200 . . . . . . A 21 LYS N . 25943 1 230 . 1 1 22 22 LYS H H 1 7.7150 . . . . . . A 22 LYS H . 25943 1 231 . 1 1 22 22 LYS HA H 1 4.1800 . . . . . . A 22 LYS HA . 25943 1 232 . 1 1 22 22 LYS HB2 H 1 2.1590 . . . . . . A 22 LYS HB2 . 25943 1 233 . 1 1 22 22 LYS HB3 H 1 1.9870 . . . . . . A 22 LYS HB3 . 25943 1 234 . 1 1 22 22 LYS HG2 H 1 1.5950 . . . . . . A 22 LYS HG2 . 25943 1 235 . 1 1 22 22 LYS HG3 H 1 1.5950 . . . . . . A 22 LYS HG3 . 25943 1 236 . 1 1 22 22 LYS HD2 H 1 1.8630 . . . . . . A 22 LYS HD2 . 25943 1 237 . 1 1 22 22 LYS HD3 H 1 1.8630 . . . . . . A 22 LYS HD3 . 25943 1 238 . 1 1 22 22 LYS HE2 H 1 3.0010 . . . . . . A 22 LYS HE2 . 25943 1 239 . 1 1 22 22 LYS HE3 H 1 3.0010 . . . . . . A 22 LYS HE3 . 25943 1 240 . 1 1 22 22 LYS CA C 13 60.1790 . . . . . . A 22 LYS CA . 25943 1 241 . 1 1 22 22 LYS CB C 13 33.6150 . . . . . . A 22 LYS CB . 25943 1 242 . 1 1 22 22 LYS N N 15 118.6600 . . . . . . A 22 LYS N . 25943 1 243 . 1 1 23 23 PHE H H 1 9.1480 . . . . . . A 23 PHE H . 25943 1 244 . 1 1 23 23 PHE HA H 1 3.9710 . . . . . . A 23 PHE HA . 25943 1 245 . 1 1 23 23 PHE HB2 H 1 3.6540 . . . . . . A 23 PHE HB2 . 25943 1 246 . 1 1 23 23 PHE HB3 H 1 3.1430 . . . . . . A 23 PHE HB3 . 25943 1 247 . 1 1 23 23 PHE HE1 H 1 6.9670 . . . . . . A 23 PHE HE1 . 25943 1 248 . 1 1 23 23 PHE HE2 H 1 6.9670 . . . . . . A 23 PHE HE2 . 25943 1 249 . 1 1 23 23 PHE HZ H 1 6.6040 . . . . . . A 23 PHE HZ . 25943 1 250 . 1 1 23 23 PHE CA C 13 61.3900 . . . . . . A 23 PHE CA . 25943 1 251 . 1 1 23 23 PHE CB C 13 40.4530 . . . . . . A 23 PHE CB . 25943 1 252 . 1 1 23 23 PHE CE1 C 13 131.8820 . . . . . . A 23 PHE CE1 . 25943 1 253 . 1 1 23 23 PHE CE2 C 13 131.8820 . . . . . . A 23 PHE CE2 . 25943 1 254 . 1 1 23 23 PHE CZ C 13 128.9500 . . . . . . A 23 PHE CZ . 25943 1 255 . 1 1 23 23 PHE N N 15 123.3600 . . . . . . A 23 PHE N . 25943 1 256 . 1 1 24 24 LYS H H 1 8.7500 . . . . . . A 24 LYS H . 25943 1 257 . 1 1 24 24 LYS HA H 1 3.7750 . . . . . . A 24 LYS HA . 25943 1 258 . 1 1 24 24 LYS HB2 H 1 2.0400 . . . . . . A 24 LYS HB2 . 25943 1 259 . 1 1 24 24 LYS HB3 H 1 1.7740 . . . . . . A 24 LYS HB3 . 25943 1 260 . 1 1 24 24 LYS CA C 13 61.2150 . . . . . . A 24 LYS CA . 25943 1 261 . 1 1 24 24 LYS CB C 13 33.3070 . . . . . . A 24 LYS CB . 25943 1 262 . 1 1 24 24 LYS N N 15 117.6600 . . . . . . A 24 LYS N . 25943 1 263 . 1 1 25 25 MET H H 1 8.0050 . . . . . . A 25 MET H . 25943 1 264 . 1 1 25 25 MET HA H 1 3.9550 . . . . . . A 25 MET HA . 25943 1 265 . 1 1 25 25 MET HB2 H 1 2.1180 . . . . . . A 25 MET HB2 . 25943 1 266 . 1 1 25 25 MET HB3 H 1 2.1180 . . . . . . A 25 MET HB3 . 25943 1 267 . 1 1 25 25 MET HG2 H 1 2.6370 . . . . . . A 25 MET HG2 . 25943 1 268 . 1 1 25 25 MET HG3 H 1 2.3970 . . . . . . A 25 MET HG3 . 25943 1 269 . 1 1 25 25 MET HE1 H 1 2.0930 . . . . . . A 25 MET HE1 . 25943 1 270 . 1 1 25 25 MET HE2 H 1 2.0930 . . . . . . A 25 MET HE2 . 25943 1 271 . 1 1 25 25 MET HE3 H 1 2.0930 . . . . . . A 25 MET HE3 . 25943 1 272 . 1 1 25 25 MET CA C 13 59.2610 . . . . . . A 25 MET CA . 25943 1 273 . 1 1 25 25 MET CB C 13 32.2760 . . . . . . A 25 MET CB . 25943 1 274 . 1 1 25 25 MET CG C 13 31.7530 . . . . . . A 25 MET CG . 25943 1 275 . 1 1 25 25 MET N N 15 118.1400 . . . . . . A 25 MET N . 25943 1 276 . 1 1 26 26 HIS H H 1 7.7790 . . . . . . A 26 HIS H . 25943 1 277 . 1 1 26 26 HIS HA H 1 4.3210 . . . . . . A 26 HIS HA . 25943 1 278 . 1 1 26 26 HIS HB2 H 1 3.1590 . . . . . . A 26 HIS HB2 . 25943 1 279 . 1 1 26 26 HIS HB3 H 1 3.1590 . . . . . . A 26 HIS HB3 . 25943 1 280 . 1 1 26 26 HIS HD2 H 1 7.2260 . . . . . . A 26 HIS HD2 . 25943 1 281 . 1 1 26 26 HIS CA C 13 59.2080 . . . . . . A 26 HIS CA . 25943 1 282 . 1 1 26 26 HIS CB C 13 29.5720 . . . . . . A 26 HIS CB . 25943 1 283 . 1 1 26 26 HIS CD2 C 13 120.0100 . . . . . . A 26 HIS CD2 . 25943 1 284 . 1 1 26 26 HIS N N 15 114.6100 . . . . . . A 26 HIS N . 25943 1 285 . 1 1 27 27 LEU H H 1 7.9540 . . . . . . A 27 LEU H . 25943 1 286 . 1 1 27 27 LEU HA H 1 4.0010 . . . . . . A 27 LEU HA . 25943 1 287 . 1 1 27 27 LEU HB2 H 1 1.9660 . . . . . . A 27 LEU HB2 . 25943 1 288 . 1 1 27 27 LEU HB3 H 1 1.4850 . . . . . . A 27 LEU HB3 . 25943 1 289 . 1 1 27 27 LEU HG H 1 0.9690 . . . . . . A 27 LEU HG . 25943 1 290 . 1 1 27 27 LEU HD11 H 1 0.7350 . . . . . . A 27 LEU HD11 . 25943 1 291 . 1 1 27 27 LEU HD12 H 1 0.7350 . . . . . . A 27 LEU HD12 . 25943 1 292 . 1 1 27 27 LEU HD13 H 1 0.7350 . . . . . . A 27 LEU HD13 . 25943 1 293 . 1 1 27 27 LEU HD21 H 1 0.7350 . . . . . . A 27 LEU HD21 . 25943 1 294 . 1 1 27 27 LEU HD22 H 1 0.7350 . . . . . . A 27 LEU HD22 . 25943 1 295 . 1 1 27 27 LEU HD23 H 1 0.7350 . . . . . . A 27 LEU HD23 . 25943 1 296 . 1 1 27 27 LEU CA C 13 57.7460 . . . . . . A 27 LEU CA . 25943 1 297 . 1 1 27 27 LEU CB C 13 42.9060 . . . . . . A 27 LEU CB . 25943 1 298 . 1 1 27 27 LEU CG C 13 26.6250 . . . . . . A 27 LEU CG . 25943 1 299 . 1 1 27 27 LEU CD1 C 13 24.3140 . . . . . . A 27 LEU CD1 . 25943 1 300 . 1 1 27 27 LEU CD2 C 13 24.3140 . . . . . . A 27 LEU CD2 . 25943 1 301 . 1 1 27 27 LEU N N 15 119.4600 . . . . . . A 27 LEU N . 25943 1 302 . 1 1 28 28 GLU H H 1 7.8700 . . . . . . A 28 GLU H . 25943 1 303 . 1 1 28 28 GLU HA H 1 4.3030 . . . . . . A 28 GLU HA . 25943 1 304 . 1 1 28 28 GLU HB2 H 1 2.0410 . . . . . . A 28 GLU HB2 . 25943 1 305 . 1 1 28 28 GLU HB3 H 1 2.0410 . . . . . . A 28 GLU HB3 . 25943 1 306 . 1 1 28 28 GLU HG2 H 1 2.5920 . . . . . . A 28 GLU HG2 . 25943 1 307 . 1 1 28 28 GLU HG3 H 1 2.3230 . . . . . . A 28 GLU HG3 . 25943 1 308 . 1 1 28 28 GLU CA C 13 57.2400 . . . . . . A 28 GLU CA . 25943 1 309 . 1 1 28 28 GLU CB C 13 28.5010 . . . . . . A 28 GLU CB . 25943 1 310 . 1 1 28 28 GLU CG C 13 34.6390 . . . . . . A 28 GLU CG . 25943 1 311 . 1 1 28 28 GLU N N 15 116.8100 . . . . . . A 28 GLU N . 25943 1 312 . 1 1 29 29 ASP H H 1 7.5480 . . . . . . A 29 ASP H . 25943 1 313 . 1 1 29 29 ASP HA H 1 4.8680 . . . . . . A 29 ASP HA . 25943 1 314 . 1 1 29 29 ASP HB2 H 1 2.8560 . . . . . . A 29 ASP HB2 . 25943 1 315 . 1 1 29 29 ASP HB3 H 1 2.6330 . . . . . . A 29 ASP HB3 . 25943 1 316 . 1 1 29 29 ASP CA C 13 52.1270 . . . . . . A 29 ASP CA . 25943 1 317 . 1 1 29 29 ASP CB C 13 38.9300 . . . . . . A 29 ASP CB . 25943 1 318 . 1 1 29 29 ASP N N 15 116.7320 . . . . . . A 29 ASP N . 25943 1 319 . 1 1 30 30 TYR H H 1 6.8370 . . . . . . A 30 TYR H . 25943 1 320 . 1 1 30 30 TYR HA H 1 4.3340 . . . . . . A 30 TYR HA . 25943 1 321 . 1 1 30 30 TYR HB2 H 1 3.1640 . . . . . . A 30 TYR HB2 . 25943 1 322 . 1 1 30 30 TYR HB3 H 1 2.6520 . . . . . . A 30 TYR HB3 . 25943 1 323 . 1 1 30 30 TYR HD1 H 1 6.9600 . . . . . . A 30 TYR HD1 . 25943 1 324 . 1 1 30 30 TYR HD2 H 1 6.9600 . . . . . . A 30 TYR HD2 . 25943 1 325 . 1 1 30 30 TYR HE1 H 1 6.4830 . . . . . . A 30 TYR HE1 . 25943 1 326 . 1 1 30 30 TYR HE2 H 1 6.4830 . . . . . . A 30 TYR HE2 . 25943 1 327 . 1 1 30 30 TYR CA C 13 58.7500 . . . . . . A 30 TYR CA . 25943 1 328 . 1 1 30 30 TYR CB C 13 39.0490 . . . . . . A 30 TYR CB . 25943 1 329 . 1 1 30 30 TYR CD1 C 13 133.4660 . . . . . . A 30 TYR CD1 . 25943 1 330 . 1 1 30 30 TYR CD2 C 13 133.4660 . . . . . . A 30 TYR CD2 . 25943 1 331 . 1 1 30 30 TYR CE1 C 13 118.2750 . . . . . . A 30 TYR CE1 . 25943 1 332 . 1 1 30 30 TYR CE2 C 13 118.2750 . . . . . . A 30 TYR CE2 . 25943 1 333 . 1 1 30 30 TYR N N 15 125.4600 . . . . . . A 30 TYR N . 25943 1 334 . 1 1 32 32 PRO HA H 1 4.5330 . . . . . . A 32 PRO HA . 25943 1 335 . 1 1 32 32 PRO HB2 H 1 2.1560 . . . . . . A 32 PRO HB2 . 25943 1 336 . 1 1 32 32 PRO HB3 H 1 1.9660 . . . . . . A 32 PRO HB3 . 25943 1 337 . 1 1 32 32 PRO HG2 H 1 1.9660 . . . . . . A 32 PRO HG2 . 25943 1 338 . 1 1 32 32 PRO HG3 H 1 1.9660 . . . . . . A 32 PRO HG3 . 25943 1 339 . 1 1 32 32 PRO HD2 H 1 3.7500 . . . . . . A 32 PRO HD2 . 25943 1 340 . 1 1 32 32 PRO HD3 H 1 3.5400 . . . . . . A 32 PRO HD3 . 25943 1 341 . 1 1 32 32 PRO CA C 13 63.3220 . . . . . . A 32 PRO CA . 25943 1 342 . 1 1 32 32 PRO CB C 13 31.3290 . . . . . . A 32 PRO CB . 25943 1 343 . 1 1 32 32 PRO CG C 13 27.5460 . . . . . . A 32 PRO CG . 25943 1 344 . 1 1 32 32 PRO CD C 13 50.7450 . . . . . . A 32 PRO CD . 25943 1 345 . 1 1 33 33 GLN H H 1 8.4530 . . . . . . A 33 GLN H . 25943 1 346 . 1 1 33 33 GLN HA H 1 4.2870 . . . . . . A 33 GLN HA . 25943 1 347 . 1 1 33 33 GLN HB2 H 1 2.0060 . . . . . . A 33 GLN HB2 . 25943 1 348 . 1 1 33 33 GLN HB3 H 1 2.0060 . . . . . . A 33 GLN HB3 . 25943 1 349 . 1 1 33 33 GLN HG2 H 1 2.2730 . . . . . . A 33 GLN HG2 . 25943 1 350 . 1 1 33 33 GLN HG3 H 1 2.2730 . . . . . . A 33 GLN HG3 . 25943 1 351 . 1 1 33 33 GLN CA C 13 56.0120 . . . . . . A 33 GLN CA . 25943 1 352 . 1 1 33 33 GLN CB C 13 29.7300 . . . . . . A 33 GLN CB . 25943 1 353 . 1 1 33 33 GLN CG C 13 34.2900 . . . . . . A 33 GLN CG . 25943 1 354 . 1 1 33 33 GLN N N 15 120.0600 . . . . . . A 33 GLN N . 25943 1 355 . 1 1 34 34 LYS H H 1 8.3760 . . . . . . A 34 LYS H . 25943 1 356 . 1 1 34 34 LYS HA H 1 4.1270 . . . . . . A 34 LYS HA . 25943 1 357 . 1 1 34 34 LYS HB2 H 1 1.8440 . . . . . . A 34 LYS HB2 . 25943 1 358 . 1 1 34 34 LYS HB3 H 1 1.8440 . . . . . . A 34 LYS HB3 . 25943 1 359 . 1 1 34 34 LYS HG2 H 1 1.2740 . . . . . . A 34 LYS HG2 . 25943 1 360 . 1 1 34 34 LYS HG3 H 1 1.2740 . . . . . . A 34 LYS HG3 . 25943 1 361 . 1 1 34 34 LYS HD2 H 1 1.4780 . . . . . . A 34 LYS HD2 . 25943 1 362 . 1 1 34 34 LYS HD3 H 1 1.4780 . . . . . . A 34 LYS HD3 . 25943 1 363 . 1 1 34 34 LYS CA C 13 57.2480 . . . . . . A 34 LYS CA . 25943 1 364 . 1 1 34 34 LYS CB C 13 31.8370 . . . . . . A 34 LYS CB . 25943 1 365 . 1 1 34 34 LYS N N 15 121.0200 . . . . . . A 34 LYS N . 25943 1 366 . 1 1 35 35 GLY H H 1 8.6300 . . . . . . A 35 GLY H . 25943 1 367 . 1 1 35 35 GLY HA2 H 1 3.7680 . . . . . . A 35 GLY HA2 . 25943 1 368 . 1 1 35 35 GLY HA3 H 1 3.7680 . . . . . . A 35 GLY HA3 . 25943 1 369 . 1 1 35 35 GLY CA C 13 45.9990 . . . . . . A 35 GLY CA . 25943 1 370 . 1 1 35 35 GLY N N 15 110.3700 . . . . . . A 35 GLY N . 25943 1 371 . 1 1 36 36 CYS H H 1 7.8550 . . . . . . A 36 CYS H . 25943 1 372 . 1 1 36 36 CYS HA H 1 4.6840 . . . . . . A 36 CYS HA . 25943 1 373 . 1 1 36 36 CYS HB2 H 1 2.8050 . . . . . . A 36 CYS HB2 . 25943 1 374 . 1 1 36 36 CYS HB3 H 1 2.6000 . . . . . . A 36 CYS HB3 . 25943 1 375 . 1 1 36 36 CYS CA C 13 58.4920 . . . . . . A 36 CYS CA . 25943 1 376 . 1 1 36 36 CYS CB C 13 29.9190 . . . . . . A 36 CYS CB . 25943 1 377 . 1 1 36 36 CYS N N 15 117.8500 . . . . . . A 36 CYS N . 25943 1 378 . 1 1 37 37 ILE H H 1 9.3620 . . . . . . A 37 ILE H . 25943 1 379 . 1 1 37 37 ILE HA H 1 4.6040 . . . . . . A 37 ILE HA . 25943 1 380 . 1 1 37 37 ILE HB H 1 1.8900 . . . . . . A 37 ILE HB . 25943 1 381 . 1 1 37 37 ILE HG12 H 1 1.5120 . . . . . . A 37 ILE HG12 . 25943 1 382 . 1 1 37 37 ILE HG13 H 1 1.1990 . . . . . . A 37 ILE HG13 . 25943 1 383 . 1 1 37 37 ILE HG21 H 1 1.0450 . . . . . . A 37 ILE HG21 . 25943 1 384 . 1 1 37 37 ILE HG22 H 1 1.0450 . . . . . . A 37 ILE HG22 . 25943 1 385 . 1 1 37 37 ILE HG23 H 1 1.0450 . . . . . . A 37 ILE HG23 . 25943 1 386 . 1 1 37 37 ILE HD11 H 1 0.8980 . . . . . . A 37 ILE HD11 . 25943 1 387 . 1 1 37 37 ILE HD12 H 1 0.8980 . . . . . . A 37 ILE HD12 . 25943 1 388 . 1 1 37 37 ILE HD13 H 1 0.8980 . . . . . . A 37 ILE HD13 . 25943 1 389 . 1 1 37 37 ILE CA C 13 58.2430 . . . . . . A 37 ILE CA . 25943 1 390 . 1 1 37 37 ILE CB C 13 39.3280 . . . . . . A 37 ILE CB . 25943 1 391 . 1 1 37 37 ILE CG1 C 13 26.8600 . . . . . . A 37 ILE CG1 . 25943 1 392 . 1 1 37 37 ILE CG2 C 13 17.3150 . . . . . . A 37 ILE CG2 . 25943 1 393 . 1 1 37 37 ILE CD1 C 13 12.9320 . . . . . . A 37 ILE CD1 . 25943 1 394 . 1 1 37 37 ILE N N 15 125.5400 . . . . . . A 37 ILE N . 25943 1 395 . 1 1 38 38 PRO HA H 1 4.3500 . . . . . . A 38 PRO HA . 25943 1 396 . 1 1 38 38 PRO HB2 H 1 2.2610 . . . . . . A 38 PRO HB2 . 25943 1 397 . 1 1 38 38 PRO HB3 H 1 1.8570 . . . . . . A 38 PRO HB3 . 25943 1 398 . 1 1 38 38 PRO HG2 H 1 1.9630 . . . . . . A 38 PRO HG2 . 25943 1 399 . 1 1 38 38 PRO HG3 H 1 1.9630 . . . . . . A 38 PRO HG3 . 25943 1 400 . 1 1 38 38 PRO HD2 H 1 3.8440 . . . . . . A 38 PRO HD2 . 25943 1 401 . 1 1 38 38 PRO HD3 H 1 3.7140 . . . . . . A 38 PRO HD3 . 25943 1 402 . 1 1 38 38 PRO CA C 13 62.2450 . . . . . . A 38 PRO CA . 25943 1 403 . 1 1 38 38 PRO CB C 13 32.4600 . . . . . . A 38 PRO CB . 25943 1 404 . 1 1 38 38 PRO CG C 13 27.7530 . . . . . . A 38 PRO CG . 25943 1 405 . 1 1 39 39 LEU H H 1 7.5030 . . . . . . A 39 LEU H . 25943 1 406 . 1 1 39 39 LEU HA H 1 3.8900 . . . . . . A 39 LEU HA . 25943 1 407 . 1 1 39 39 LEU HB2 H 1 1.2280 . . . . . . A 39 LEU HB2 . 25943 1 408 . 1 1 39 39 LEU HB3 H 1 1.1220 . . . . . . A 39 LEU HB3 . 25943 1 409 . 1 1 39 39 LEU HG H 1 1.3470 . . . . . . A 39 LEU HG . 25943 1 410 . 1 1 39 39 LEU HD11 H 1 0.6960 . . . . . . A 39 LEU HD11 . 25943 1 411 . 1 1 39 39 LEU HD12 H 1 0.6960 . . . . . . A 39 LEU HD12 . 25943 1 412 . 1 1 39 39 LEU HD13 H 1 0.6960 . . . . . . A 39 LEU HD13 . 25943 1 413 . 1 1 39 39 LEU HD21 H 1 0.5800 . . . . . . A 39 LEU HD21 . 25943 1 414 . 1 1 39 39 LEU HD22 H 1 0.5800 . . . . . . A 39 LEU HD22 . 25943 1 415 . 1 1 39 39 LEU HD23 H 1 0.5800 . . . . . . A 39 LEU HD23 . 25943 1 416 . 1 1 39 39 LEU CA C 13 52.3530 . . . . . . A 39 LEU CA . 25943 1 417 . 1 1 39 39 LEU CB C 13 41.3780 . . . . . . A 39 LEU CB . 25943 1 418 . 1 1 39 39 LEU CG C 13 29.0200 . . . . . . A 39 LEU CG . 25943 1 419 . 1 1 39 39 LEU CD1 C 13 25.6340 . . . . . . A 39 LEU CD1 . 25943 1 420 . 1 1 39 39 LEU CD2 C 13 25.3740 . . . . . . A 39 LEU CD2 . 25943 1 421 . 1 1 39 39 LEU N N 15 120.9500 . . . . . . A 39 LEU N . 25943 1 422 . 1 1 40 40 PRO HA H 1 4.3500 . . . . . . A 40 PRO HA . 25943 1 423 . 1 1 40 40 PRO HB2 H 1 2.2960 . . . . . . A 40 PRO HB2 . 25943 1 424 . 1 1 40 40 PRO HB3 H 1 1.9580 . . . . . . A 40 PRO HB3 . 25943 1 425 . 1 1 40 40 PRO HG2 H 1 1.8490 . . . . . . A 40 PRO HG2 . 25943 1 426 . 1 1 40 40 PRO HG3 H 1 1.8490 . . . . . . A 40 PRO HG3 . 25943 1 427 . 1 1 40 40 PRO HD2 H 1 3.8440 . . . . . . A 40 PRO HD2 . 25943 1 428 . 1 1 40 40 PRO HD3 H 1 3.7140 . . . . . . A 40 PRO HD3 . 25943 1 429 . 1 1 40 40 PRO CA C 13 62.3010 . . . . . . A 40 PRO CA . 25943 1 430 . 1 1 40 40 PRO CB C 13 32.2480 . . . . . . A 40 PRO CB . 25943 1 431 . 1 1 40 40 PRO CG C 13 27.2600 . . . . . . A 40 PRO CG . 25943 1 432 . 1 1 40 40 PRO CD C 13 50.7800 . . . . . . A 40 PRO CD . 25943 1 433 . 1 1 41 41 ARG H H 1 8.9970 . . . . . . A 41 ARG H . 25943 1 434 . 1 1 41 41 ARG HA H 1 3.8280 . . . . . . A 41 ARG HA . 25943 1 435 . 1 1 41 41 ARG HB2 H 1 1.7830 . . . . . . A 41 ARG HB2 . 25943 1 436 . 1 1 41 41 ARG HB3 H 1 1.7830 . . . . . . A 41 ARG HB3 . 25943 1 437 . 1 1 41 41 ARG HG2 H 1 1.5460 . . . . . . A 41 ARG HG2 . 25943 1 438 . 1 1 41 41 ARG HG3 H 1 1.5460 . . . . . . A 41 ARG HG3 . 25943 1 439 . 1 1 41 41 ARG HD2 H 1 3.1600 . . . . . . A 41 ARG HD2 . 25943 1 440 . 1 1 41 41 ARG HD3 H 1 3.1600 . . . . . . A 41 ARG HD3 . 25943 1 441 . 1 1 41 41 ARG CA C 13 60.7040 . . . . . . A 41 ARG CA . 25943 1 442 . 1 1 41 41 ARG CB C 13 30.2810 . . . . . . A 41 ARG CB . 25943 1 443 . 1 1 41 41 ARG CG C 13 27.1090 . . . . . . A 41 ARG CG . 25943 1 444 . 1 1 41 41 ARG CD C 13 43.2290 . . . . . . A 41 ARG CD . 25943 1 445 . 1 1 41 41 ARG N N 15 127.0300 . . . . . . A 41 ARG N . 25943 1 446 . 1 1 42 42 GLY H H 1 8.8200 . . . . . . A 42 GLY H . 25943 1 447 . 1 1 42 42 GLY HA2 H 1 3.7290 . . . . . . A 42 GLY HA2 . 25943 1 448 . 1 1 42 42 GLY HA3 H 1 3.7290 . . . . . . A 42 GLY HA3 . 25943 1 449 . 1 1 42 42 GLY CA C 13 47.5050 . . . . . . A 42 GLY CA . 25943 1 450 . 1 1 42 42 GLY N N 15 106.7700 . . . . . . A 42 GLY N . 25943 1 451 . 1 1 43 43 GLN H H 1 7.7240 . . . . . . A 43 GLN H . 25943 1 452 . 1 1 43 43 GLN HA H 1 4.0140 . . . . . . A 43 GLN HA . 25943 1 453 . 1 1 43 43 GLN HB2 H 1 2.0430 . . . . . . A 43 GLN HB2 . 25943 1 454 . 1 1 43 43 GLN HB3 H 1 1.7630 . . . . . . A 43 GLN HB3 . 25943 1 455 . 1 1 43 43 GLN HG2 H 1 2.3990 . . . . . . A 43 GLN HG2 . 25943 1 456 . 1 1 43 43 GLN HG3 H 1 2.3990 . . . . . . A 43 GLN HG3 . 25943 1 457 . 1 1 43 43 GLN CA C 13 58.6970 . . . . . . A 43 GLN CA . 25943 1 458 . 1 1 43 43 GLN CB C 13 29.8200 . . . . . . A 43 GLN CB . 25943 1 459 . 1 1 43 43 GLN CG C 13 34.7830 . . . . . . A 43 GLN CG . 25943 1 460 . 1 1 43 43 GLN N N 15 118.0700 . . . . . . A 43 GLN N . 25943 1 461 . 1 1 44 44 THR H H 1 7.6410 . . . . . . A 44 THR H . 25943 1 462 . 1 1 44 44 THR HA H 1 4.2200 . . . . . . A 44 THR HA . 25943 1 463 . 1 1 44 44 THR HB H 1 4.2200 . . . . . . A 44 THR HB . 25943 1 464 . 1 1 44 44 THR HG21 H 1 1.2750 . . . . . . A 44 THR HG21 . 25943 1 465 . 1 1 44 44 THR HG22 H 1 1.2750 . . . . . . A 44 THR HG22 . 25943 1 466 . 1 1 44 44 THR HG23 H 1 1.2750 . . . . . . A 44 THR HG23 . 25943 1 467 . 1 1 44 44 THR CA C 13 67.7810 . . . . . . A 44 THR CA . 25943 1 468 . 1 1 44 44 THR CB C 13 67.7810 . . . . . . A 44 THR CB . 25943 1 469 . 1 1 44 44 THR CG2 C 13 22.1870 . . . . . . A 44 THR CG2 . 25943 1 470 . 1 1 44 44 THR N N 15 115.6700 . . . . . . A 44 THR N . 25943 1 471 . 1 1 45 45 GLU H H 1 8.4120 . . . . . . A 45 GLU H . 25943 1 472 . 1 1 45 45 GLU HA H 1 3.7500 . . . . . . A 45 GLU HA . 25943 1 473 . 1 1 45 45 GLU HB2 H 1 2.0530 . . . . . . A 45 GLU HB2 . 25943 1 474 . 1 1 45 45 GLU HB3 H 1 1.8270 . . . . . . A 45 GLU HB3 . 25943 1 475 . 1 1 45 45 GLU HG2 H 1 2.3790 . . . . . . A 45 GLU HG2 . 25943 1 476 . 1 1 45 45 GLU HG3 H 1 2.3790 . . . . . . A 45 GLU HG3 . 25943 1 477 . 1 1 45 45 GLU CA C 13 59.8290 . . . . . . A 45 GLU CA . 25943 1 478 . 1 1 45 45 GLU CB C 13 29.3250 . . . . . . A 45 GLU CB . 25943 1 479 . 1 1 45 45 GLU CG C 13 36.0400 . . . . . . A 45 GLU CG . 25943 1 480 . 1 1 45 45 GLU N N 15 119.3400 . . . . . . A 45 GLU N . 25943 1 481 . 1 1 46 46 LYS H H 1 7.2890 . . . . . . A 46 LYS H . 25943 1 482 . 1 1 46 46 LYS HA H 1 4.1720 . . . . . . A 46 LYS HA . 25943 1 483 . 1 1 46 46 LYS HB2 H 1 1.7960 . . . . . . A 46 LYS HB2 . 25943 1 484 . 1 1 46 46 LYS HB3 H 1 1.7960 . . . . . . A 46 LYS HB3 . 25943 1 485 . 1 1 46 46 LYS HE2 H 1 2.9910 . . . . . . A 46 LYS HE2 . 25943 1 486 . 1 1 46 46 LYS HE3 H 1 2.9910 . . . . . . A 46 LYS HE3 . 25943 1 487 . 1 1 46 46 LYS CA C 13 56.8370 . . . . . . A 46 LYS CA . 25943 1 488 . 1 1 46 46 LYS CB C 13 33.2810 . . . . . . A 46 LYS CB . 25943 1 489 . 1 1 46 46 LYS N N 15 115.7000 . . . . . . A 46 LYS N . 25943 1 490 . 1 1 47 47 ALA H H 1 7.0720 . . . . . . A 47 ALA H . 25943 1 491 . 1 1 47 47 ALA HA H 1 4.2870 . . . . . . A 47 ALA HA . 25943 1 492 . 1 1 47 47 ALA HB1 H 1 1.3900 . . . . . . A 47 ALA HB1 . 25943 1 493 . 1 1 47 47 ALA HB2 H 1 1.3900 . . . . . . A 47 ALA HB2 . 25943 1 494 . 1 1 47 47 ALA HB3 H 1 1.3900 . . . . . . A 47 ALA HB3 . 25943 1 495 . 1 1 47 47 ALA CA C 13 53.1010 . . . . . . A 47 ALA CA . 25943 1 496 . 1 1 47 47 ALA CB C 13 19.6760 . . . . . . A 47 ALA CB . 25943 1 497 . 1 1 47 47 ALA N N 15 121.8800 . . . . . . A 47 ALA N . 25943 1 498 . 1 1 48 48 ASP H H 1 8.6540 . . . . . . A 48 ASP H . 25943 1 499 . 1 1 48 48 ASP HA H 1 4.6630 . . . . . . A 48 ASP HA . 25943 1 500 . 1 1 48 48 ASP HB2 H 1 3.2210 . . . . . . A 48 ASP HB2 . 25943 1 501 . 1 1 48 48 ASP HB3 H 1 2.8720 . . . . . . A 48 ASP HB3 . 25943 1 502 . 1 1 48 48 ASP CA C 13 52.0460 . . . . . . A 48 ASP CA . 25943 1 503 . 1 1 48 48 ASP CB C 13 39.7030 . . . . . . A 48 ASP CB . 25943 1 504 . 1 1 48 48 ASP N N 15 121.4400 . . . . . . A 48 ASP N . 25943 1 505 . 1 1 49 49 HIS H H 1 8.3160 . . . . . . A 49 HIS H . 25943 1 506 . 1 1 49 49 HIS HA H 1 3.9720 . . . . . . A 49 HIS HA . 25943 1 507 . 1 1 49 49 HIS HB2 H 1 3.2810 . . . . . . A 49 HIS HB2 . 25943 1 508 . 1 1 49 49 HIS HB3 H 1 3.0390 . . . . . . A 49 HIS HB3 . 25943 1 509 . 1 1 49 49 HIS HD2 H 1 7.4170 . . . . . . A 49 HIS HD2 . 25943 1 510 . 1 1 49 49 HIS CA C 13 60.2760 . . . . . . A 49 HIS CA . 25943 1 511 . 1 1 49 49 HIS CB C 13 28.7410 . . . . . . A 49 HIS CB . 25943 1 512 . 1 1 49 49 HIS CD2 C 13 120.7820 . . . . . . A 49 HIS CD2 . 25943 1 513 . 1 1 49 49 HIS N N 15 112.5400 . . . . . . A 49 HIS N . 25943 1 514 . 1 1 50 50 VAL H H 1 7.6100 . . . . . . A 50 VAL H . 25943 1 515 . 1 1 50 50 VAL HA H 1 3.6770 . . . . . . A 50 VAL HA . 25943 1 516 . 1 1 50 50 VAL HB H 1 2.0170 . . . . . . A 50 VAL HB . 25943 1 517 . 1 1 50 50 VAL HG11 H 1 0.8350 . . . . . . A 50 VAL HG11 . 25943 1 518 . 1 1 50 50 VAL HG12 H 1 0.8350 . . . . . . A 50 VAL HG12 . 25943 1 519 . 1 1 50 50 VAL HG13 H 1 0.8350 . . . . . . A 50 VAL HG13 . 25943 1 520 . 1 1 50 50 VAL HG21 H 1 0.7720 . . . . . . A 50 VAL HG21 . 25943 1 521 . 1 1 50 50 VAL HG22 H 1 0.7720 . . . . . . A 50 VAL HG22 . 25943 1 522 . 1 1 50 50 VAL HG23 H 1 0.7720 . . . . . . A 50 VAL HG23 . 25943 1 523 . 1 1 50 50 VAL CA C 13 65.8230 . . . . . . A 50 VAL CA . 25943 1 524 . 1 1 50 50 VAL CB C 13 31.8030 . . . . . . A 50 VAL CB . 25943 1 525 . 1 1 50 50 VAL CG1 C 13 20.9510 . . . . . . A 50 VAL CG1 . 25943 1 526 . 1 1 50 50 VAL CG2 C 13 22.2540 . . . . . . A 50 VAL CG2 . 25943 1 527 . 1 1 50 50 VAL N N 15 117.4600 . . . . . . A 50 VAL N . 25943 1 528 . 1 1 51 51 ASP H H 1 8.4900 . . . . . . A 51 ASP H . 25943 1 529 . 1 1 51 51 ASP HA H 1 4.4350 . . . . . . A 51 ASP HA . 25943 1 530 . 1 1 51 51 ASP HB2 H 1 2.7050 . . . . . . A 51 ASP HB2 . 25943 1 531 . 1 1 51 51 ASP HB3 H 1 2.7050 . . . . . . A 51 ASP HB3 . 25943 1 532 . 1 1 51 51 ASP CA C 13 56.5920 . . . . . . A 51 ASP CA . 25943 1 533 . 1 1 51 51 ASP CB C 13 39.4150 . . . . . . A 51 ASP CB . 25943 1 534 . 1 1 51 51 ASP N N 15 121.4300 . . . . . . A 51 ASP N . 25943 1 535 . 1 1 52 52 LEU H H 1 8.6490 . . . . . . A 52 LEU H . 25943 1 536 . 1 1 52 52 LEU HA H 1 3.9670 . . . . . . A 52 LEU HA . 25943 1 537 . 1 1 52 52 LEU HB2 H 1 1.7250 . . . . . . A 52 LEU HB2 . 25943 1 538 . 1 1 52 52 LEU HB3 H 1 1.4790 . . . . . . A 52 LEU HB3 . 25943 1 539 . 1 1 52 52 LEU HD11 H 1 0.9080 . . . . . . A 52 LEU HD11 . 25943 1 540 . 1 1 52 52 LEU HD12 H 1 0.9080 . . . . . . A 52 LEU HD12 . 25943 1 541 . 1 1 52 52 LEU HD13 H 1 0.9080 . . . . . . A 52 LEU HD13 . 25943 1 542 . 1 1 52 52 LEU HD21 H 1 0.9080 . . . . . . A 52 LEU HD21 . 25943 1 543 . 1 1 52 52 LEU HD22 H 1 0.9080 . . . . . . A 52 LEU HD22 . 25943 1 544 . 1 1 52 52 LEU HD23 H 1 0.9080 . . . . . . A 52 LEU HD23 . 25943 1 545 . 1 1 52 52 LEU CA C 13 57.6770 . . . . . . A 52 LEU CA . 25943 1 546 . 1 1 52 52 LEU CB C 13 41.7080 . . . . . . A 52 LEU CB . 25943 1 547 . 1 1 52 52 LEU CD1 C 13 23.9060 . . . . . . A 52 LEU CD1 . 25943 1 548 . 1 1 52 52 LEU CD2 C 13 23.9060 . . . . . . A 52 LEU CD2 . 25943 1 549 . 1 1 52 52 LEU N N 15 121.0300 . . . . . . A 52 LEU N . 25943 1 550 . 1 1 53 53 ALA H H 1 7.4230 . . . . . . A 53 ALA H . 25943 1 551 . 1 1 53 53 ALA HA H 1 3.9350 . . . . . . A 53 ALA HA . 25943 1 552 . 1 1 53 53 ALA HB1 H 1 1.4470 . . . . . . A 53 ALA HB1 . 25943 1 553 . 1 1 53 53 ALA HB2 H 1 1.4470 . . . . . . A 53 ALA HB2 . 25943 1 554 . 1 1 53 53 ALA HB3 H 1 1.4470 . . . . . . A 53 ALA HB3 . 25943 1 555 . 1 1 53 53 ALA CA C 13 55.5980 . . . . . . A 53 ALA CA . 25943 1 556 . 1 1 53 53 ALA CB C 13 18.0940 . . . . . . A 53 ALA CB . 25943 1 557 . 1 1 53 53 ALA N N 15 120.4400 . . . . . . A 53 ALA N . 25943 1 558 . 1 1 54 54 THR H H 1 7.6830 . . . . . . A 54 THR H . 25943 1 559 . 1 1 54 54 THR HA H 1 3.7120 . . . . . . A 54 THR HA . 25943 1 560 . 1 1 54 54 THR HB H 1 4.3530 . . . . . . A 54 THR HB . 25943 1 561 . 1 1 54 54 THR HG21 H 1 1.2090 . . . . . . A 54 THR HG21 . 25943 1 562 . 1 1 54 54 THR HG22 H 1 1.2090 . . . . . . A 54 THR HG22 . 25943 1 563 . 1 1 54 54 THR HG23 H 1 1.2090 . . . . . . A 54 THR HG23 . 25943 1 564 . 1 1 54 54 THR CA C 13 66.8640 . . . . . . A 54 THR CA . 25943 1 565 . 1 1 54 54 THR CB C 13 68.8680 . . . . . . A 54 THR CB . 25943 1 566 . 1 1 54 54 THR CG2 C 13 21.9900 . . . . . . A 54 THR CG2 . 25943 1 567 . 1 1 54 54 THR N N 15 113.2100 . . . . . . A 54 THR N . 25943 1 568 . 1 1 55 55 LEU H H 1 8.3140 . . . . . . A 55 LEU H . 25943 1 569 . 1 1 55 55 LEU HA H 1 4.1740 . . . . . . A 55 LEU HA . 25943 1 570 . 1 1 55 55 LEU HB2 H 1 1.8300 . . . . . . A 55 LEU HB2 . 25943 1 571 . 1 1 55 55 LEU HB3 H 1 1.6090 . . . . . . A 55 LEU HB3 . 25943 1 572 . 1 1 55 55 LEU HD11 H 1 0.7910 . . . . . . A 55 LEU HD11 . 25943 1 573 . 1 1 55 55 LEU HD12 H 1 0.7910 . . . . . . A 55 LEU HD12 . 25943 1 574 . 1 1 55 55 LEU HD13 H 1 0.7910 . . . . . . A 55 LEU HD13 . 25943 1 575 . 1 1 55 55 LEU HD21 H 1 0.7820 . . . . . . A 55 LEU HD21 . 25943 1 576 . 1 1 55 55 LEU HD22 H 1 0.7820 . . . . . . A 55 LEU HD22 . 25943 1 577 . 1 1 55 55 LEU HD23 H 1 0.7820 . . . . . . A 55 LEU HD23 . 25943 1 578 . 1 1 55 55 LEU CA C 13 58.4030 . . . . . . A 55 LEU CA . 25943 1 579 . 1 1 55 55 LEU CB C 13 43.0380 . . . . . . A 55 LEU CB . 25943 1 580 . 1 1 55 55 LEU CD1 C 13 25.1290 . . . . . . A 55 LEU CD1 . 25943 1 581 . 1 1 55 55 LEU CD2 C 13 23.6170 . . . . . . A 55 LEU CD2 . 25943 1 582 . 1 1 55 55 LEU N N 15 122.8000 . . . . . . A 55 LEU N . 25943 1 583 . 1 1 56 56 MET H H 1 8.3790 . . . . . . A 56 MET H . 25943 1 584 . 1 1 56 56 MET HA H 1 3.8310 . . . . . . A 56 MET HA . 25943 1 585 . 1 1 56 56 MET HB2 H 1 2.2690 . . . . . . A 56 MET HB2 . 25943 1 586 . 1 1 56 56 MET HB3 H 1 2.0990 . . . . . . A 56 MET HB3 . 25943 1 587 . 1 1 56 56 MET HG2 H 1 2.9090 . . . . . . A 56 MET HG2 . 25943 1 588 . 1 1 56 56 MET HG3 H 1 2.9090 . . . . . . A 56 MET HG3 . 25943 1 589 . 1 1 56 56 MET HE1 H 1 2.0610 . . . . . . A 56 MET HE1 . 25943 1 590 . 1 1 56 56 MET HE2 H 1 2.0610 . . . . . . A 56 MET HE2 . 25943 1 591 . 1 1 56 56 MET HE3 H 1 2.0610 . . . . . . A 56 MET HE3 . 25943 1 592 . 1 1 56 56 MET CA C 13 60.8490 . . . . . . A 56 MET CA . 25943 1 593 . 1 1 56 56 MET CB C 13 34.6680 . . . . . . A 56 MET CB . 25943 1 594 . 1 1 56 56 MET CG C 13 33.7000 . . . . . . A 56 MET CG . 25943 1 595 . 1 1 56 56 MET CE C 13 17.6000 . . . . . . A 56 MET CE . 25943 1 596 . 1 1 56 56 MET N N 15 115.7900 . . . . . . A 56 MET N . 25943 1 597 . 1 1 57 57 ILE H H 1 8.0070 . . . . . . A 57 ILE H . 25943 1 598 . 1 1 57 57 ILE HA H 1 3.4370 . . . . . . A 57 ILE HA . 25943 1 599 . 1 1 57 57 ILE HB H 1 1.8630 . . . . . . A 57 ILE HB . 25943 1 600 . 1 1 57 57 ILE HG12 H 1 1.7790 . . . . . . A 57 ILE HG12 . 25943 1 601 . 1 1 57 57 ILE HG13 H 1 0.7870 . . . . . . A 57 ILE HG13 . 25943 1 602 . 1 1 57 57 ILE HG21 H 1 0.9030 . . . . . . A 57 ILE HG21 . 25943 1 603 . 1 1 57 57 ILE HG22 H 1 0.9030 . . . . . . A 57 ILE HG22 . 25943 1 604 . 1 1 57 57 ILE HG23 H 1 0.9030 . . . . . . A 57 ILE HG23 . 25943 1 605 . 1 1 57 57 ILE HD11 H 1 0.8790 . . . . . . A 57 ILE HD11 . 25943 1 606 . 1 1 57 57 ILE HD12 H 1 0.8790 . . . . . . A 57 ILE HD12 . 25943 1 607 . 1 1 57 57 ILE HD13 H 1 0.8790 . . . . . . A 57 ILE HD13 . 25943 1 608 . 1 1 57 57 ILE CA C 13 64.8500 . . . . . . A 57 ILE CA . 25943 1 609 . 1 1 57 57 ILE CB C 13 38.3520 . . . . . . A 57 ILE CB . 25943 1 610 . 1 1 57 57 ILE CG1 C 13 30.2630 . . . . . . A 57 ILE CG1 . 25943 1 611 . 1 1 57 57 ILE CG2 C 13 17.7400 . . . . . . A 57 ILE CG2 . 25943 1 612 . 1 1 57 57 ILE CD1 C 13 13.7900 . . . . . . A 57 ILE CD1 . 25943 1 613 . 1 1 57 57 ILE N N 15 120.3700 . . . . . . A 57 ILE N . 25943 1 614 . 1 1 58 58 ASP H H 1 9.2710 . . . . . . A 58 ASP H . 25943 1 615 . 1 1 58 58 ASP HA H 1 4.3470 . . . . . . A 58 ASP HA . 25943 1 616 . 1 1 58 58 ASP HB2 H 1 3.0970 . . . . . . A 58 ASP HB2 . 25943 1 617 . 1 1 58 58 ASP HB3 H 1 2.7230 . . . . . . A 58 ASP HB3 . 25943 1 618 . 1 1 58 58 ASP CA C 13 56.6620 . . . . . . A 58 ASP CA . 25943 1 619 . 1 1 58 58 ASP CB C 13 37.9100 . . . . . . A 58 ASP CB . 25943 1 620 . 1 1 58 58 ASP N N 15 122.5690 . . . . . . A 58 ASP N . 25943 1 621 . 1 1 59 59 PHE H H 1 8.0250 . . . . . . A 59 PHE H . 25943 1 622 . 1 1 59 59 PHE HA H 1 4.2240 . . . . . . A 59 PHE HA . 25943 1 623 . 1 1 59 59 PHE HB2 H 1 2.9710 . . . . . . A 59 PHE HB2 . 25943 1 624 . 1 1 59 59 PHE HB3 H 1 2.8440 . . . . . . A 59 PHE HB3 . 25943 1 625 . 1 1 59 59 PHE HD1 H 1 7.1500 . . . . . . A 59 PHE HD1 . 25943 1 626 . 1 1 59 59 PHE HD2 H 1 7.1500 . . . . . . A 59 PHE HD2 . 25943 1 627 . 1 1 59 59 PHE HE1 H 1 7.1660 . . . . . . A 59 PHE HE1 . 25943 1 628 . 1 1 59 59 PHE HE2 H 1 7.1660 . . . . . . A 59 PHE HE2 . 25943 1 629 . 1 1 59 59 PHE HZ H 1 6.6780 . . . . . . A 59 PHE HZ . 25943 1 630 . 1 1 59 59 PHE CA C 13 61.3760 . . . . . . A 59 PHE CA . 25943 1 631 . 1 1 59 59 PHE CB C 13 40.5300 . . . . . . A 59 PHE CB . 25943 1 632 . 1 1 59 59 PHE CD1 C 13 131.8660 . . . . . . A 59 PHE CD1 . 25943 1 633 . 1 1 59 59 PHE CD2 C 13 131.8660 . . . . . . A 59 PHE CD2 . 25943 1 634 . 1 1 59 59 PHE CE1 C 13 130.0380 . . . . . . A 59 PHE CE1 . 25943 1 635 . 1 1 59 59 PHE CE2 C 13 130.0380 . . . . . . A 59 PHE CE2 . 25943 1 636 . 1 1 59 59 PHE CZ C 13 128.4740 . . . . . . A 59 PHE CZ . 25943 1 637 . 1 1 59 59 PHE N N 15 114.3400 . . . . . . A 59 PHE N . 25943 1 638 . 1 1 60 60 ASN H H 1 7.6010 . . . . . . A 60 ASN H . 25943 1 639 . 1 1 60 60 ASN HA H 1 4.1320 . . . . . . A 60 ASN HA . 25943 1 640 . 1 1 60 60 ASN HB2 H 1 2.7670 . . . . . . A 60 ASN HB2 . 25943 1 641 . 1 1 60 60 ASN HB3 H 1 2.5280 . . . . . . A 60 ASN HB3 . 25943 1 642 . 1 1 60 60 ASN CA C 13 54.6140 . . . . . . A 60 ASN CA . 25943 1 643 . 1 1 60 60 ASN CB C 13 42.9600 . . . . . . A 60 ASN CB . 25943 1 644 . 1 1 60 60 ASN N N 15 112.8300 . . . . . . A 60 ASN N . 25943 1 645 . 1 1 61 61 GLY H H 1 8.6260 . . . . . . A 61 GLY H . 25943 1 646 . 1 1 61 61 GLY HA2 H 1 3.9880 . . . . . . A 61 GLY HA2 . 25943 1 647 . 1 1 61 61 GLY HA3 H 1 3.9880 . . . . . . A 61 GLY HA3 . 25943 1 648 . 1 1 61 61 GLY CA C 13 44.7420 . . . . . . A 61 GLY CA . 25943 1 649 . 1 1 61 61 GLY N N 15 110.8400 . . . . . . A 61 GLY N . 25943 1 650 . 1 1 62 62 GLU H H 1 8.8410 . . . . . . A 62 GLU H . 25943 1 651 . 1 1 62 62 GLU HA H 1 3.9320 . . . . . . A 62 GLU HA . 25943 1 652 . 1 1 62 62 GLU HB2 H 1 2.1640 . . . . . . A 62 GLU HB2 . 25943 1 653 . 1 1 62 62 GLU HB3 H 1 2.1640 . . . . . . A 62 GLU HB3 . 25943 1 654 . 1 1 62 62 GLU HG2 H 1 2.5600 . . . . . . A 62 GLU HG2 . 25943 1 655 . 1 1 62 62 GLU HG3 H 1 2.3580 . . . . . . A 62 GLU HG3 . 25943 1 656 . 1 1 62 62 GLU CA C 13 61.7390 . . . . . . A 62 GLU CA . 25943 1 657 . 1 1 62 62 GLU CB C 13 30.2480 . . . . . . A 62 GLU CB . 25943 1 658 . 1 1 62 62 GLU CG C 13 36.6300 . . . . . . A 62 GLU CG . 25943 1 659 . 1 1 62 62 GLU N N 15 117.9900 . . . . . . A 62 GLU N . 25943 1 660 . 1 1 63 63 GLU H H 1 8.5350 . . . . . . A 63 GLU H . 25943 1 661 . 1 1 63 63 GLU HA H 1 4.0280 . . . . . . A 63 GLU HA . 25943 1 662 . 1 1 63 63 GLU HB2 H 1 2.1340 . . . . . . A 63 GLU HB2 . 25943 1 663 . 1 1 63 63 GLU HB3 H 1 2.1340 . . . . . . A 63 GLU HB3 . 25943 1 664 . 1 1 63 63 GLU HG2 H 1 2.4720 . . . . . . A 63 GLU HG2 . 25943 1 665 . 1 1 63 63 GLU HG3 H 1 2.4720 . . . . . . A 63 GLU HG3 . 25943 1 666 . 1 1 63 63 GLU CA C 13 60.7520 . . . . . . A 63 GLU CA . 25943 1 667 . 1 1 63 63 GLU CB C 13 28.3240 . . . . . . A 63 GLU CB . 25943 1 668 . 1 1 63 63 GLU CG C 13 34.8700 . . . . . . A 63 GLU CG . 25943 1 669 . 1 1 63 63 GLU N N 15 118.0900 . . . . . . A 63 GLU N . 25943 1 670 . 1 1 64 64 LYS H H 1 9.1070 . . . . . . A 64 LYS H . 25943 1 671 . 1 1 64 64 LYS HA H 1 4.0820 . . . . . . A 64 LYS HA . 25943 1 672 . 1 1 64 64 LYS HB2 H 1 2.0330 . . . . . . A 64 LYS HB2 . 25943 1 673 . 1 1 64 64 LYS HB3 H 1 1.7900 . . . . . . A 64 LYS HB3 . 25943 1 674 . 1 1 64 64 LYS HG2 H 1 1.4660 . . . . . . A 64 LYS HG2 . 25943 1 675 . 1 1 64 64 LYS HG3 H 1 1.4660 . . . . . . A 64 LYS HG3 . 25943 1 676 . 1 1 64 64 LYS HD2 H 1 1.6280 . . . . . . A 64 LYS HD2 . 25943 1 677 . 1 1 64 64 LYS HD3 H 1 1.6280 . . . . . . A 64 LYS HD3 . 25943 1 678 . 1 1 64 64 LYS CA C 13 59.1840 . . . . . . A 64 LYS CA . 25943 1 679 . 1 1 64 64 LYS CB C 13 31.7580 . . . . . . A 64 LYS CB . 25943 1 680 . 1 1 64 64 LYS CE C 13 41.9000 . . . . . . A 64 LYS CE . 25943 1 681 . 1 1 64 64 LYS N N 15 119.7200 . . . . . . A 64 LYS N . 25943 1 682 . 1 1 65 65 ALA H H 1 8.1790 . . . . . . A 65 ALA H . 25943 1 683 . 1 1 65 65 ALA HA H 1 3.9180 . . . . . . A 65 ALA HA . 25943 1 684 . 1 1 65 65 ALA HB1 H 1 1.3640 . . . . . . A 65 ALA HB1 . 25943 1 685 . 1 1 65 65 ALA HB2 H 1 1.3640 . . . . . . A 65 ALA HB2 . 25943 1 686 . 1 1 65 65 ALA HB3 H 1 1.3640 . . . . . . A 65 ALA HB3 . 25943 1 687 . 1 1 65 65 ALA CA C 13 55.9340 . . . . . . A 65 ALA CA . 25943 1 688 . 1 1 65 65 ALA CB C 13 19.5890 . . . . . . A 65 ALA CB . 25943 1 689 . 1 1 65 65 ALA N N 15 120.0300 . . . . . . A 65 ALA N . 25943 1 690 . 1 1 66 66 TRP H H 1 7.9000 . . . . . . A 66 TRP H . 25943 1 691 . 1 1 66 66 TRP HA H 1 3.9740 . . . . . . A 66 TRP HA . 25943 1 692 . 1 1 66 66 TRP HB2 H 1 3.3440 . . . . . . A 66 TRP HB2 . 25943 1 693 . 1 1 66 66 TRP HB3 H 1 3.3440 . . . . . . A 66 TRP HB3 . 25943 1 694 . 1 1 66 66 TRP HD1 H 1 7.1440 . . . . . . A 66 TRP HD1 . 25943 1 695 . 1 1 66 66 TRP HE3 H 1 7.4170 . . . . . . A 66 TRP HE3 . 25943 1 696 . 1 1 66 66 TRP HZ2 H 1 7.5130 . . . . . . A 66 TRP HZ2 . 25943 1 697 . 1 1 66 66 TRP HH2 H 1 7.4130 . . . . . . A 66 TRP HH2 . 25943 1 698 . 1 1 66 66 TRP CA C 13 61.3020 . . . . . . A 66 TRP CA . 25943 1 699 . 1 1 66 66 TRP CB C 13 28.9550 . . . . . . A 66 TRP CB . 25943 1 700 . 1 1 66 66 TRP CD1 C 13 126.7890 . . . . . . A 66 TRP CD1 . 25943 1 701 . 1 1 66 66 TRP CE3 C 13 120.7820 . . . . . . A 66 TRP CE3 . 25943 1 702 . 1 1 66 66 TRP CZ2 C 13 110.2390 . . . . . . A 66 TRP CZ2 . 25943 1 703 . 1 1 66 66 TRP CH2 C 13 119.8290 . . . . . . A 66 TRP CH2 . 25943 1 704 . 1 1 66 66 TRP N N 15 116.2100 . . . . . . A 66 TRP N . 25943 1 705 . 1 1 67 67 ALA H H 1 7.7540 . . . . . . A 67 ALA H . 25943 1 706 . 1 1 67 67 ALA HA H 1 4.0310 . . . . . . A 67 ALA HA . 25943 1 707 . 1 1 67 67 ALA HB1 H 1 1.5390 . . . . . . A 67 ALA HB1 . 25943 1 708 . 1 1 67 67 ALA HB2 H 1 1.5390 . . . . . . A 67 ALA HB2 . 25943 1 709 . 1 1 67 67 ALA HB3 H 1 1.5390 . . . . . . A 67 ALA HB3 . 25943 1 710 . 1 1 67 67 ALA CA C 13 55.6120 . . . . . . A 67 ALA CA . 25943 1 711 . 1 1 67 67 ALA CB C 13 18.1060 . . . . . . A 67 ALA CB . 25943 1 712 . 1 1 67 67 ALA N N 15 119.6400 . . . . . . A 67 ALA N . 25943 1 713 . 1 1 68 68 MET H H 1 8.5000 . . . . . . A 68 MET H . 25943 1 714 . 1 1 68 68 MET HA H 1 4.2620 . . . . . . A 68 MET HA . 25943 1 715 . 1 1 68 68 MET HB2 H 1 1.8690 . . . . . . A 68 MET HB2 . 25943 1 716 . 1 1 68 68 MET HB3 H 1 1.5520 . . . . . . A 68 MET HB3 . 25943 1 717 . 1 1 68 68 MET HG2 H 1 2.4100 . . . . . . A 68 MET HG2 . 25943 1 718 . 1 1 68 68 MET HG3 H 1 2.4400 . . . . . . A 68 MET HG3 . 25943 1 719 . 1 1 68 68 MET HE1 H 1 1.9630 . . . . . . A 68 MET HE1 . 25943 1 720 . 1 1 68 68 MET HE2 H 1 1.9630 . . . . . . A 68 MET HE2 . 25943 1 721 . 1 1 68 68 MET HE3 H 1 1.9630 . . . . . . A 68 MET HE3 . 25943 1 722 . 1 1 68 68 MET CA C 13 58.6470 . . . . . . A 68 MET CA . 25943 1 723 . 1 1 68 68 MET CB C 13 34.3690 . . . . . . A 68 MET CB . 25943 1 724 . 1 1 68 68 MET CG C 13 31.9500 . . . . . . A 68 MET CG . 25943 1 725 . 1 1 68 68 MET N N 15 118.2600 . . . . . . A 68 MET N . 25943 1 726 . 1 1 69 69 ALA H H 1 7.9220 . . . . . . A 69 ALA H . 25943 1 727 . 1 1 69 69 ALA HA H 1 3.5730 . . . . . . A 69 ALA HA . 25943 1 728 . 1 1 69 69 ALA HB1 H 1 1.0620 . . . . . . A 69 ALA HB1 . 25943 1 729 . 1 1 69 69 ALA HB2 H 1 1.0620 . . . . . . A 69 ALA HB2 . 25943 1 730 . 1 1 69 69 ALA HB3 H 1 1.0620 . . . . . . A 69 ALA HB3 . 25943 1 731 . 1 1 69 69 ALA CA C 13 55.6290 . . . . . . A 69 ALA CA . 25943 1 732 . 1 1 69 69 ALA CB C 13 17.7130 . . . . . . A 69 ALA CB . 25943 1 733 . 1 1 69 69 ALA N N 15 120.3580 . . . . . . A 69 ALA N . 25943 1 734 . 1 1 70 70 VAL H H 1 8.2020 . . . . . . A 70 VAL H . 25943 1 735 . 1 1 70 70 VAL HA H 1 3.4030 . . . . . . A 70 VAL HA . 25943 1 736 . 1 1 70 70 VAL HB H 1 2.1320 . . . . . . A 70 VAL HB . 25943 1 737 . 1 1 70 70 VAL HG11 H 1 0.9160 . . . . . . A 70 VAL HG11 . 25943 1 738 . 1 1 70 70 VAL HG12 H 1 0.9160 . . . . . . A 70 VAL HG12 . 25943 1 739 . 1 1 70 70 VAL HG13 H 1 0.9160 . . . . . . A 70 VAL HG13 . 25943 1 740 . 1 1 70 70 VAL HG21 H 1 0.9160 . . . . . . A 70 VAL HG21 . 25943 1 741 . 1 1 70 70 VAL HG22 H 1 0.9160 . . . . . . A 70 VAL HG22 . 25943 1 742 . 1 1 70 70 VAL HG23 H 1 0.9160 . . . . . . A 70 VAL HG23 . 25943 1 743 . 1 1 70 70 VAL CA C 13 67.9340 . . . . . . A 70 VAL CA . 25943 1 744 . 1 1 70 70 VAL CB C 13 32.2880 . . . . . . A 70 VAL CB . 25943 1 745 . 1 1 70 70 VAL CG1 C 13 23.1600 . . . . . . A 70 VAL CG1 . 25943 1 746 . 1 1 70 70 VAL CG2 C 13 23.1600 . . . . . . A 70 VAL CG2 . 25943 1 747 . 1 1 70 70 VAL N N 15 114.9160 . . . . . . A 70 VAL N . 25943 1 748 . 1 1 71 71 TRP H H 1 7.8060 . . . . . . A 71 TRP H . 25943 1 749 . 1 1 71 71 TRP HA H 1 4.1370 . . . . . . A 71 TRP HA . 25943 1 750 . 1 1 71 71 TRP HB2 H 1 3.6710 . . . . . . A 71 TRP HB2 . 25943 1 751 . 1 1 71 71 TRP HB3 H 1 3.3600 . . . . . . A 71 TRP HB3 . 25943 1 752 . 1 1 71 71 TRP HD1 H 1 7.1850 . . . . . . A 71 TRP HD1 . 25943 1 753 . 1 1 71 71 TRP HE3 H 1 6.9470 . . . . . . A 71 TRP HE3 . 25943 1 754 . 1 1 71 71 TRP HZ2 H 1 7.3610 . . . . . . A 71 TRP HZ2 . 25943 1 755 . 1 1 71 71 TRP HZ3 H 1 7.0050 . . . . . . A 71 TRP HZ3 . 25943 1 756 . 1 1 71 71 TRP HH2 H 1 7.0950 . . . . . . A 71 TRP HH2 . 25943 1 757 . 1 1 71 71 TRP CA C 13 62.2620 . . . . . . A 71 TRP CA . 25943 1 758 . 1 1 71 71 TRP CB C 13 29.2420 . . . . . . A 71 TRP CB . 25943 1 759 . 1 1 71 71 TRP CD1 C 13 126.9390 . . . . . . A 71 TRP CD1 . 25943 1 760 . 1 1 71 71 TRP CE3 C 13 123.7320 . . . . . . A 71 TRP CE3 . 25943 1 761 . 1 1 71 71 TRP CZ2 C 13 114.5610 . . . . . . A 71 TRP CZ2 . 25943 1 762 . 1 1 71 71 TRP CZ3 C 13 121.9970 . . . . . . A 71 TRP CZ3 . 25943 1 763 . 1 1 71 71 TRP CH2 C 13 124.6160 . . . . . . A 71 TRP CH2 . 25943 1 764 . 1 1 71 71 TRP N N 15 118.4000 . . . . . . A 71 TRP N . 25943 1 765 . 1 1 72 72 ILE H H 1 8.6540 . . . . . . A 72 ILE H . 25943 1 766 . 1 1 72 72 ILE HA H 1 3.1220 . . . . . . A 72 ILE HA . 25943 1 767 . 1 1 72 72 ILE HB H 1 1.3670 . . . . . . A 72 ILE HB . 25943 1 768 . 1 1 72 72 ILE HG12 H 1 2.4890 . . . . . . A 72 ILE HG12 . 25943 1 769 . 1 1 72 72 ILE HG13 H 1 0.5250 . . . . . . A 72 ILE HG13 . 25943 1 770 . 1 1 72 72 ILE HG21 H 1 0.3990 . . . . . . A 72 ILE HG21 . 25943 1 771 . 1 1 72 72 ILE HG22 H 1 0.3990 . . . . . . A 72 ILE HG22 . 25943 1 772 . 1 1 72 72 ILE HG23 H 1 0.3990 . . . . . . A 72 ILE HG23 . 25943 1 773 . 1 1 72 72 ILE HD11 H 1 0.2020 . . . . . . A 72 ILE HD11 . 25943 1 774 . 1 1 72 72 ILE HD12 H 1 0.2020 . . . . . . A 72 ILE HD12 . 25943 1 775 . 1 1 72 72 ILE HD13 H 1 0.2020 . . . . . . A 72 ILE HD13 . 25943 1 776 . 1 1 72 72 ILE CA C 13 65.8630 . . . . . . A 72 ILE CA . 25943 1 777 . 1 1 72 72 ILE CB C 13 36.6700 . . . . . . A 72 ILE CB . 25943 1 778 . 1 1 72 72 ILE CG1 C 13 30.1900 . . . . . . A 72 ILE CG1 . 25943 1 779 . 1 1 72 72 ILE CG2 C 13 21.9900 . . . . . . A 72 ILE CG2 . 25943 1 780 . 1 1 72 72 ILE CD1 C 13 13.7900 . . . . . . A 72 ILE CD1 . 25943 1 781 . 1 1 72 72 ILE N N 15 119.4300 . . . . . . A 72 ILE N . 25943 1 782 . 1 1 73 73 PHE H H 1 9.0150 . . . . . . A 73 PHE H . 25943 1 783 . 1 1 73 73 PHE HA H 1 4.5140 . . . . . . A 73 PHE HA . 25943 1 784 . 1 1 73 73 PHE HB2 H 1 3.4700 . . . . . . A 73 PHE HB2 . 25943 1 785 . 1 1 73 73 PHE HB3 H 1 3.2900 . . . . . . A 73 PHE HB3 . 25943 1 786 . 1 1 73 73 PHE CA C 13 59.1540 . . . . . . A 73 PHE CA . 25943 1 787 . 1 1 73 73 PHE CB C 13 37.3210 . . . . . . A 73 PHE CB . 25943 1 788 . 1 1 73 73 PHE N N 15 118.7600 . . . . . . A 73 PHE N . 25943 1 789 . 1 1 74 74 ALA H H 1 7.3630 . . . . . . A 74 ALA H . 25943 1 790 . 1 1 74 74 ALA HA H 1 3.6610 . . . . . . A 74 ALA HA . 25943 1 791 . 1 1 74 74 ALA HB1 H 1 0.9000 . . . . . . A 74 ALA HB1 . 25943 1 792 . 1 1 74 74 ALA HB2 H 1 0.9000 . . . . . . A 74 ALA HB2 . 25943 1 793 . 1 1 74 74 ALA HB3 H 1 0.9000 . . . . . . A 74 ALA HB3 . 25943 1 794 . 1 1 74 74 ALA CA C 13 55.1620 . . . . . . A 74 ALA CA . 25943 1 795 . 1 1 74 74 ALA CB C 13 17.1510 . . . . . . A 74 ALA CB . 25943 1 796 . 1 1 74 74 ALA N N 15 118.1900 . . . . . . A 74 ALA N . 25943 1 797 . 1 1 75 75 ALA H H 1 7.6400 . . . . . . A 75 ALA H . 25943 1 798 . 1 1 75 75 ALA HA H 1 3.7350 . . . . . . A 75 ALA HA . 25943 1 799 . 1 1 75 75 ALA HB1 H 1 0.5890 . . . . . . A 75 ALA HB1 . 25943 1 800 . 1 1 75 75 ALA HB2 H 1 0.5890 . . . . . . A 75 ALA HB2 . 25943 1 801 . 1 1 75 75 ALA HB3 H 1 0.5890 . . . . . . A 75 ALA HB3 . 25943 1 802 . 1 1 75 75 ALA CA C 13 54.6260 . . . . . . A 75 ALA CA . 25943 1 803 . 1 1 75 75 ALA CB C 13 17.5770 . . . . . . A 75 ALA CB . 25943 1 804 . 1 1 75 75 ALA N N 15 122.9200 . . . . . . A 75 ALA N . 25943 1 805 . 1 1 76 76 ILE H H 1 7.9010 . . . . . . A 76 ILE H . 25943 1 806 . 1 1 76 76 ILE HA H 1 4.4960 . . . . . . A 76 ILE HA . 25943 1 807 . 1 1 76 76 ILE HB H 1 2.3350 . . . . . . A 76 ILE HB . 25943 1 808 . 1 1 76 76 ILE HG12 H 1 1.8990 . . . . . . A 76 ILE HG12 . 25943 1 809 . 1 1 76 76 ILE HG13 H 1 1.4160 . . . . . . A 76 ILE HG13 . 25943 1 810 . 1 1 76 76 ILE HG21 H 1 0.7330 . . . . . . A 76 ILE HG21 . 25943 1 811 . 1 1 76 76 ILE HG22 H 1 0.7330 . . . . . . A 76 ILE HG22 . 25943 1 812 . 1 1 76 76 ILE HG23 H 1 0.7330 . . . . . . A 76 ILE HG23 . 25943 1 813 . 1 1 76 76 ILE HD11 H 1 1.0950 . . . . . . A 76 ILE HD11 . 25943 1 814 . 1 1 76 76 ILE HD12 H 1 1.0950 . . . . . . A 76 ILE HD12 . 25943 1 815 . 1 1 76 76 ILE HD13 H 1 1.0950 . . . . . . A 76 ILE HD13 . 25943 1 816 . 1 1 76 76 ILE CA C 13 60.6780 . . . . . . A 76 ILE CA . 25943 1 817 . 1 1 76 76 ILE CB C 13 37.3920 . . . . . . A 76 ILE CB . 25943 1 818 . 1 1 76 76 ILE CG1 C 13 25.5000 . . . . . . A 76 ILE CG1 . 25943 1 819 . 1 1 76 76 ILE CG2 C 13 17.3100 . . . . . . A 76 ILE CG2 . 25943 1 820 . 1 1 76 76 ILE CD1 C 13 15.5500 . . . . . . A 76 ILE CD1 . 25943 1 821 . 1 1 76 76 ILE N N 15 108.8500 . . . . . . A 76 ILE N . 25943 1 822 . 1 1 77 77 ASN H H 1 7.8650 . . . . . . A 77 ASN H . 25943 1 823 . 1 1 77 77 ASN HA H 1 4.2580 . . . . . . A 77 ASN HA . 25943 1 824 . 1 1 77 77 ASN HB2 H 1 3.2770 . . . . . . A 77 ASN HB2 . 25943 1 825 . 1 1 77 77 ASN HB3 H 1 2.7700 . . . . . . A 77 ASN HB3 . 25943 1 826 . 1 1 77 77 ASN CA C 13 55.0700 . . . . . . A 77 ASN CA . 25943 1 827 . 1 1 77 77 ASN CB C 13 36.9180 . . . . . . A 77 ASN CB . 25943 1 828 . 1 1 77 77 ASN N N 15 116.2320 . . . . . . A 77 ASN N . 25943 1 829 . 1 1 78 78 ARG H H 1 8.3250 . . . . . . A 78 ARG H . 25943 1 830 . 1 1 78 78 ARG HA H 1 4.9680 . . . . . . A 78 ARG HA . 25943 1 831 . 1 1 78 78 ARG HB2 H 1 1.7300 . . . . . . A 78 ARG HB2 . 25943 1 832 . 1 1 78 78 ARG HB3 H 1 1.7300 . . . . . . A 78 ARG HB3 . 25943 1 833 . 1 1 78 78 ARG HG2 H 1 1.9490 . . . . . . A 78 ARG HG2 . 25943 1 834 . 1 1 78 78 ARG HG3 H 1 1.9490 . . . . . . A 78 ARG HG3 . 25943 1 835 . 1 1 78 78 ARG HD2 H 1 3.0930 . . . . . . A 78 ARG HD2 . 25943 1 836 . 1 1 78 78 ARG HD3 H 1 3.0930 . . . . . . A 78 ARG HD3 . 25943 1 837 . 1 1 78 78 ARG CA C 13 50.9230 . . . . . . A 78 ARG CA . 25943 1 838 . 1 1 78 78 ARG CB C 13 26.6170 . . . . . . A 78 ARG CB . 25943 1 839 . 1 1 78 78 ARG CG C 13 27.3910 . . . . . . A 78 ARG CG . 25943 1 840 . 1 1 78 78 ARG CD C 13 43.1790 . . . . . . A 78 ARG CD . 25943 1 841 . 1 1 78 78 ARG N N 15 118.8100 . . . . . . A 78 ARG N . 25943 1 842 . 1 1 79 79 ARG H H 1 8.1710 . . . . . . A 79 ARG H . 25943 1 843 . 1 1 79 79 ARG HA H 1 3.9110 . . . . . . A 79 ARG HA . 25943 1 844 . 1 1 79 79 ARG HB2 H 1 1.8950 . . . . . . A 79 ARG HB2 . 25943 1 845 . 1 1 79 79 ARG HB3 H 1 1.8950 . . . . . . A 79 ARG HB3 . 25943 1 846 . 1 1 79 79 ARG CA C 13 59.1940 . . . . . . A 79 ARG CA . 25943 1 847 . 1 1 79 79 ARG CB C 13 29.5580 . . . . . . A 79 ARG CB . 25943 1 848 . 1 1 79 79 ARG N N 15 122.2700 . . . . . . A 79 ARG N . 25943 1 849 . 1 1 80 80 ASP H H 1 9.1240 . . . . . . A 80 ASP H . 25943 1 850 . 1 1 80 80 ASP HA H 1 3.8590 . . . . . . A 80 ASP HA . 25943 1 851 . 1 1 80 80 ASP HB2 H 1 2.4850 . . . . . . A 80 ASP HB2 . 25943 1 852 . 1 1 80 80 ASP HB3 H 1 2.8710 . . . . . . A 80 ASP HB3 . 25943 1 853 . 1 1 80 80 ASP CA C 13 56.1650 . . . . . . A 80 ASP CA . 25943 1 854 . 1 1 80 80 ASP CB C 13 38.3720 . . . . . . A 80 ASP CB . 25943 1 855 . 1 1 80 80 ASP N N 15 117.1800 . . . . . . A 80 ASP N . 25943 1 856 . 1 1 81 81 LEU H H 1 7.2670 . . . . . . A 81 LEU H . 25943 1 857 . 1 1 81 81 LEU HA H 1 3.8390 . . . . . . A 81 LEU HA . 25943 1 858 . 1 1 81 81 LEU HB2 H 1 1.0330 . . . . . . A 81 LEU HB2 . 25943 1 859 . 1 1 81 81 LEU HB3 H 1 0.1440 . . . . . . A 81 LEU HB3 . 25943 1 860 . 1 1 81 81 LEU HG H 1 1.3580 . . . . . . A 81 LEU HG . 25943 1 861 . 1 1 81 81 LEU HD11 H 1 0.5880 . . . . . . A 81 LEU HD11 . 25943 1 862 . 1 1 81 81 LEU HD12 H 1 0.5880 . . . . . . A 81 LEU HD12 . 25943 1 863 . 1 1 81 81 LEU HD13 H 1 0.5880 . . . . . . A 81 LEU HD13 . 25943 1 864 . 1 1 81 81 LEU HD21 H 1 0.3740 . . . . . . A 81 LEU HD21 . 25943 1 865 . 1 1 81 81 LEU HD22 H 1 0.3740 . . . . . . A 81 LEU HD22 . 25943 1 866 . 1 1 81 81 LEU HD23 H 1 0.3740 . . . . . . A 81 LEU HD23 . 25943 1 867 . 1 1 81 81 LEU CA C 13 56.7630 . . . . . . A 81 LEU CA . 25943 1 868 . 1 1 81 81 LEU CB C 13 40.2890 . . . . . . A 81 LEU CB . 25943 1 869 . 1 1 81 81 LEU CG C 13 26.6400 . . . . . . A 81 LEU CG . 25943 1 870 . 1 1 81 81 LEU CD1 C 13 21.9900 . . . . . . A 81 LEU CD1 . 25943 1 871 . 1 1 81 81 LEU CD2 C 13 26.0400 . . . . . . A 81 LEU CD2 . 25943 1 872 . 1 1 81 81 LEU N N 15 120.5400 . . . . . . A 81 LEU N . 25943 1 873 . 1 1 82 82 TYR H H 1 8.0410 . . . . . . A 82 TYR H . 25943 1 874 . 1 1 82 82 TYR HA H 1 4.1590 . . . . . . A 82 TYR HA . 25943 1 875 . 1 1 82 82 TYR HB2 H 1 3.2250 . . . . . . A 82 TYR HB2 . 25943 1 876 . 1 1 82 82 TYR HB3 H 1 2.9710 . . . . . . A 82 TYR HB3 . 25943 1 877 . 1 1 82 82 TYR HD1 H 1 7.0410 . . . . . . A 82 TYR HD1 . 25943 1 878 . 1 1 82 82 TYR HD2 H 1 7.0410 . . . . . . A 82 TYR HD2 . 25943 1 879 . 1 1 82 82 TYR HE1 H 1 6.7760 . . . . . . A 82 TYR HE1 . 25943 1 880 . 1 1 82 82 TYR HE2 H 1 6.7760 . . . . . . A 82 TYR HE2 . 25943 1 881 . 1 1 82 82 TYR CA C 13 62.2390 . . . . . . A 82 TYR CA . 25943 1 882 . 1 1 82 82 TYR CB C 13 38.6910 . . . . . . A 82 TYR CB . 25943 1 883 . 1 1 82 82 TYR CD1 C 13 133.1520 . . . . . . A 82 TYR CD1 . 25943 1 884 . 1 1 82 82 TYR CD2 C 13 133.1520 . . . . . . A 82 TYR CD2 . 25943 1 885 . 1 1 82 82 TYR CE1 C 13 118.1970 . . . . . . A 82 TYR CE1 . 25943 1 886 . 1 1 82 82 TYR CE2 C 13 118.1970 . . . . . . A 82 TYR CE2 . 25943 1 887 . 1 1 82 82 TYR N N 15 119.1400 . . . . . . A 82 TYR N . 25943 1 888 . 1 1 83 83 GLU H H 1 8.1940 . . . . . . A 83 GLU H . 25943 1 889 . 1 1 83 83 GLU HA H 1 3.6960 . . . . . . A 83 GLU HA . 25943 1 890 . 1 1 83 83 GLU HB2 H 1 2.0710 . . . . . . A 83 GLU HB2 . 25943 1 891 . 1 1 83 83 GLU HB3 H 1 2.0710 . . . . . . A 83 GLU HB3 . 25943 1 892 . 1 1 83 83 GLU HG2 H 1 2.6080 . . . . . . A 83 GLU HG2 . 25943 1 893 . 1 1 83 83 GLU HG3 H 1 2.6080 . . . . . . A 83 GLU HG3 . 25943 1 894 . 1 1 83 83 GLU CA C 13 59.0800 . . . . . . A 83 GLU CA . 25943 1 895 . 1 1 83 83 GLU CB C 13 29.1370 . . . . . . A 83 GLU CB . 25943 1 896 . 1 1 83 83 GLU CG C 13 34.7760 . . . . . . A 83 GLU CG . 25943 1 897 . 1 1 83 83 GLU N N 15 115.6200 . . . . . . A 83 GLU N . 25943 1 898 . 1 1 84 84 LYS H H 1 7.4460 . . . . . . A 84 LYS H . 25943 1 899 . 1 1 84 84 LYS HA H 1 3.9170 . . . . . . A 84 LYS HA . 25943 1 900 . 1 1 84 84 LYS HB2 H 1 2.0950 . . . . . . A 84 LYS HB2 . 25943 1 901 . 1 1 84 84 LYS HB3 H 1 1.6690 . . . . . . A 84 LYS HB3 . 25943 1 902 . 1 1 84 84 LYS HG2 H 1 1.3890 . . . . . . A 84 LYS HG2 . 25943 1 903 . 1 1 84 84 LYS HG3 H 1 1.3890 . . . . . . A 84 LYS HG3 . 25943 1 904 . 1 1 84 84 LYS HD2 H 1 1.5150 . . . . . . A 84 LYS HD2 . 25943 1 905 . 1 1 84 84 LYS HD3 H 1 1.5150 . . . . . . A 84 LYS HD3 . 25943 1 906 . 1 1 84 84 LYS HE2 H 1 2.9230 . . . . . . A 84 LYS HE2 . 25943 1 907 . 1 1 84 84 LYS HE3 H 1 2.9230 . . . . . . A 84 LYS HE3 . 25943 1 908 . 1 1 84 84 LYS CA C 13 59.7640 . . . . . . A 84 LYS CA . 25943 1 909 . 1 1 84 84 LYS CB C 13 33.3740 . . . . . . A 84 LYS CB . 25943 1 910 . 1 1 84 84 LYS CG C 13 24.9530 . . . . . . A 84 LYS CG . 25943 1 911 . 1 1 84 84 LYS CE C 13 41.9340 . . . . . . A 84 LYS CE . 25943 1 912 . 1 1 84 84 LYS N N 15 118.0800 . . . . . . A 84 LYS N . 25943 1 913 . 1 1 85 85 ALA H H 1 8.6510 . . . . . . A 85 ALA H . 25943 1 914 . 1 1 85 85 ALA HA H 1 4.1230 . . . . . . A 85 ALA HA . 25943 1 915 . 1 1 85 85 ALA HB1 H 1 1.1770 . . . . . . A 85 ALA HB1 . 25943 1 916 . 1 1 85 85 ALA HB2 H 1 1.1770 . . . . . . A 85 ALA HB2 . 25943 1 917 . 1 1 85 85 ALA HB3 H 1 1.1770 . . . . . . A 85 ALA HB3 . 25943 1 918 . 1 1 85 85 ALA CA C 13 55.1100 . . . . . . A 85 ALA CA . 25943 1 919 . 1 1 85 85 ALA CB C 13 18.3820 . . . . . . A 85 ALA CB . 25943 1 920 . 1 1 85 85 ALA N N 15 120.4700 . . . . . . A 85 ALA N . 25943 1 921 . 1 1 86 86 LYS H H 1 8.0590 . . . . . . A 86 LYS H . 25943 1 922 . 1 1 86 86 LYS HA H 1 4.0100 . . . . . . A 86 LYS HA . 25943 1 923 . 1 1 86 86 LYS HB2 H 1 1.5930 . . . . . . A 86 LYS HB2 . 25943 1 924 . 1 1 86 86 LYS HB3 H 1 1.5930 . . . . . . A 86 LYS HB3 . 25943 1 925 . 1 1 86 86 LYS HG2 H 1 1.2630 . . . . . . A 86 LYS HG2 . 25943 1 926 . 1 1 86 86 LYS HG3 H 1 1.2630 . . . . . . A 86 LYS HG3 . 25943 1 927 . 1 1 86 86 LYS HD2 H 1 1.5930 . . . . . . A 86 LYS HD2 . 25943 1 928 . 1 1 86 86 LYS HD3 H 1 1.5930 . . . . . . A 86 LYS HD3 . 25943 1 929 . 1 1 86 86 LYS HE2 H 1 2.8130 . . . . . . A 86 LYS HE2 . 25943 1 930 . 1 1 86 86 LYS HE3 H 1 2.8130 . . . . . . A 86 LYS HE3 . 25943 1 931 . 1 1 86 86 LYS CA C 13 59.1690 . . . . . . A 86 LYS CA . 25943 1 932 . 1 1 86 86 LYS CB C 13 31.7910 . . . . . . A 86 LYS CB . 25943 1 933 . 1 1 86 86 LYS CD C 13 28.7510 . . . . . . A 86 LYS CD . 25943 1 934 . 1 1 86 86 LYS N N 15 117.6100 . . . . . . A 86 LYS N . 25943 1 935 . 1 1 87 87 ARG H H 1 7.1960 . . . . . . A 87 ARG H . 25943 1 936 . 1 1 87 87 ARG HA H 1 4.1650 . . . . . . A 87 ARG HA . 25943 1 937 . 1 1 87 87 ARG HB2 H 1 1.9050 . . . . . . A 87 ARG HB2 . 25943 1 938 . 1 1 87 87 ARG HB3 H 1 1.9050 . . . . . . A 87 ARG HB3 . 25943 1 939 . 1 1 87 87 ARG HD2 H 1 3.1140 . . . . . . A 87 ARG HD2 . 25943 1 940 . 1 1 87 87 ARG HD3 H 1 3.1140 . . . . . . A 87 ARG HD3 . 25943 1 941 . 1 1 87 87 ARG CA C 13 57.7000 . . . . . . A 87 ARG CA . 25943 1 942 . 1 1 87 87 ARG CB C 13 30.3160 . . . . . . A 87 ARG CB . 25943 1 943 . 1 1 87 87 ARG CD C 13 43.2330 . . . . . . A 87 ARG CD . 25943 1 944 . 1 1 87 87 ARG N N 15 116.9000 . . . . . . A 87 ARG N . 25943 1 945 . 1 1 88 88 ASP H H 1 7.5070 . . . . . . A 88 ASP H . 25943 1 946 . 1 1 88 88 ASP HA H 1 4.6940 . . . . . . A 88 ASP HA . 25943 1 947 . 1 1 88 88 ASP HB2 H 1 2.8170 . . . . . . A 88 ASP HB2 . 25943 1 948 . 1 1 88 88 ASP HB3 H 1 2.6800 . . . . . . A 88 ASP HB3 . 25943 1 949 . 1 1 88 88 ASP CA C 13 53.6690 . . . . . . A 88 ASP CA . 25943 1 950 . 1 1 88 88 ASP CB C 13 42.4190 . . . . . . A 88 ASP CB . 25943 1 951 . 1 1 88 88 ASP N N 15 119.2900 . . . . . . A 88 ASP N . 25943 1 952 . 1 1 89 89 GLU H H 1 7.3370 . . . . . . A 89 GLU H . 25943 1 953 . 1 1 89 89 GLU HA H 1 3.4040 . . . . . . A 89 GLU HA . 25943 1 954 . 1 1 89 89 GLU HB2 H 1 1.9850 . . . . . . A 89 GLU HB2 . 25943 1 955 . 1 1 89 89 GLU HB3 H 1 1.9040 . . . . . . A 89 GLU HB3 . 25943 1 956 . 1 1 89 89 GLU HG2 H 1 2.4440 . . . . . . A 89 GLU HG2 . 25943 1 957 . 1 1 89 89 GLU HG3 H 1 2.3600 . . . . . . A 89 GLU HG3 . 25943 1 958 . 1 1 89 89 GLU CA C 13 54.4350 . . . . . . A 89 GLU CA . 25943 1 959 . 1 1 89 89 GLU CB C 13 28.2210 . . . . . . A 89 GLU CB . 25943 1 960 . 1 1 89 89 GLU CG C 13 33.1200 . . . . . . A 89 GLU CG . 25943 1 961 . 1 1 89 89 GLU N N 15 119.9700 . . . . . . A 89 GLU N . 25943 1 962 . 1 1 90 90 PRO HA H 1 4.2060 . . . . . . A 90 PRO HA . 25943 1 963 . 1 1 90 90 PRO HB2 H 1 2.0760 . . . . . . A 90 PRO HB2 . 25943 1 964 . 1 1 90 90 PRO HB3 H 1 1.8160 . . . . . . A 90 PRO HB3 . 25943 1 965 . 1 1 90 90 PRO HG2 H 1 1.7480 . . . . . . A 90 PRO HG2 . 25943 1 966 . 1 1 90 90 PRO HG3 H 1 1.6590 . . . . . . A 90 PRO HG3 . 25943 1 967 . 1 1 90 90 PRO HD2 H 1 2.9660 . . . . . . A 90 PRO HD2 . 25943 1 968 . 1 1 90 90 PRO HD3 H 1 2.6260 . . . . . . A 90 PRO HD3 . 25943 1 969 . 1 1 90 90 PRO CA C 13 63.2560 . . . . . . A 90 PRO CA . 25943 1 970 . 1 1 90 90 PRO CB C 13 31.7930 . . . . . . A 90 PRO CB . 25943 1 971 . 1 1 90 90 PRO CG C 13 27.2600 . . . . . . A 90 PRO CG . 25943 1 972 . 1 1 90 90 PRO CD C 13 50.1000 . . . . . . A 90 PRO CD . 25943 1 973 . 1 1 91 91 LYS H H 1 8.0110 . . . . . . A 91 LYS H . 25943 1 974 . 1 1 91 91 LYS HA H 1 4.2240 . . . . . . A 91 LYS HA . 25943 1 975 . 1 1 91 91 LYS HB2 H 1 1.7850 . . . . . . A 91 LYS HB2 . 25943 1 976 . 1 1 91 91 LYS HB3 H 1 1.7850 . . . . . . A 91 LYS HB3 . 25943 1 977 . 1 1 91 91 LYS HG2 H 1 1.4160 . . . . . . A 91 LYS HG2 . 25943 1 978 . 1 1 91 91 LYS HG3 H 1 1.4160 . . . . . . A 91 LYS HG3 . 25943 1 979 . 1 1 91 91 LYS HD2 H 1 1.6290 . . . . . . A 91 LYS HD2 . 25943 1 980 . 1 1 91 91 LYS HD3 H 1 1.6290 . . . . . . A 91 LYS HD3 . 25943 1 981 . 1 1 91 91 LYS HE2 H 1 2.9540 . . . . . . A 91 LYS HE2 . 25943 1 982 . 1 1 91 91 LYS HE3 H 1 2.9540 . . . . . . A 91 LYS HE3 . 25943 1 983 . 1 1 91 91 LYS CA C 13 57.3730 . . . . . . A 91 LYS CA . 25943 1 984 . 1 1 91 91 LYS CB C 13 33.3490 . . . . . . A 91 LYS CB . 25943 1 985 . 1 1 91 91 LYS CG C 13 24.9850 . . . . . . A 91 LYS CG . 25943 1 986 . 1 1 91 91 LYS CD C 13 29.0820 . . . . . . A 91 LYS CD . 25943 1 987 . 1 1 91 91 LYS N N 15 124.7010 . . . . . . A 91 LYS N . 25943 1 stop_ save_