data_25793 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25793 _Entry.Title ; Solution Structure of the RNA-Binding domain of non-structural protein 1 from the 1918 H1N1 influenza virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-03 _Entry.Accession_date 2015-09-11 _Entry.Last_release_date 2015-09-28 _Entry.Original_release_date 2015-09-28 _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 Alexander Jureka . S. . . 25793 2 Alexander Kleinpeter . B. . . 25793 3 Gabriel Cornilescu . . . . 25793 4 Claudia Cornilescu . C. . . 25793 5 Charles Schwieters . D. . . 25793 6 Chad Petit . M. . . 25793 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' . 25793 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25793 NS1 . 25793 RIG-I . 25793 influenza . 25793 virulence . 25793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 25793 '15N chemical shifts' 71 25793 '1H chemical shifts' 458 25793 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 . . 2016-07-22 2015-09-03 update BMRB 'update entry citation' 25793 1 . . 2015-09-28 2015-09-03 original author 'original release' 25793 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N74 'BMRB Entry Tracking System' 25793 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25793 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26365801 _Citation.Full_citation . _Citation.Title ; Structural Basis for a Novel Interaction between the NS1 Protein Derived from the 1918 Influenza Virus and RIG-I ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 11 _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 2001 _Citation.Page_last 2010 _Citation.Year 2015 _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 Alexander Jureka . S. . . 25793 1 2 Alexander Kleinpeter . B. . . 25793 1 3 Gabriel Cornilescu . . . . 25793 1 4 Claudia Cornilescu . C. . . 25793 1 5 Charles Schwieters . D. . . 25793 1 6 Chad Petit . M. . . 25793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25793 _Assembly.ID 1 _Assembly.Name 'RNA-Binding domain of non-structural protein 1 from the 1918 H1N1 influenza virus' _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 $Influenza_NS1_RNA_Binding_Domain A . yes native no no . . . 25793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Influenza_NS1_RNA_Binding_Domain _Entity.Sf_category entity _Entity.Sf_framecode Influenza_NS1_RNA_Binding_Domain _Entity.Entry_ID 25793 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Influenza_NS1_RNA_Binding_Domain _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 ; MDSNTVSSFQVDCFLWHVRK RFADQELGDAPFLDRLRRDQ KSLRGRGSTLGLDIETATRA GKQIVERILKEES ; _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 73 _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 16801.115 _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 . 25793 1 2 2 ASP . 25793 1 3 3 SER . 25793 1 4 4 ASN . 25793 1 5 5 THR . 25793 1 6 6 VAL . 25793 1 7 7 SER . 25793 1 8 8 SER . 25793 1 9 9 PHE . 25793 1 10 10 GLN . 25793 1 11 11 VAL . 25793 1 12 12 ASP . 25793 1 13 13 CYS . 25793 1 14 14 PHE . 25793 1 15 15 LEU . 25793 1 16 16 TRP . 25793 1 17 17 HIS . 25793 1 18 18 VAL . 25793 1 19 19 ARG . 25793 1 20 20 LYS . 25793 1 21 21 ARG . 25793 1 22 22 PHE . 25793 1 23 23 ALA . 25793 1 24 24 ASP . 25793 1 25 25 GLN . 25793 1 26 26 GLU . 25793 1 27 27 LEU . 25793 1 28 28 GLY . 25793 1 29 29 ASP . 25793 1 30 30 ALA . 25793 1 31 31 PRO . 25793 1 32 32 PHE . 25793 1 33 33 LEU . 25793 1 34 34 ASP . 25793 1 35 35 ARG . 25793 1 36 36 LEU . 25793 1 37 37 ARG . 25793 1 38 38 ARG . 25793 1 39 39 ASP . 25793 1 40 40 GLN . 25793 1 41 41 LYS . 25793 1 42 42 SER . 25793 1 43 43 LEU . 25793 1 44 44 ARG . 25793 1 45 45 GLY . 25793 1 46 46 ARG . 25793 1 47 47 GLY . 25793 1 48 48 SER . 25793 1 49 49 THR . 25793 1 50 50 LEU . 25793 1 51 51 GLY . 25793 1 52 52 LEU . 25793 1 53 53 ASP . 25793 1 54 54 ILE . 25793 1 55 55 GLU . 25793 1 56 56 THR . 25793 1 57 57 ALA . 25793 1 58 58 THR . 25793 1 59 59 ARG . 25793 1 60 60 ALA . 25793 1 61 61 GLY . 25793 1 62 62 LYS . 25793 1 63 63 GLN . 25793 1 64 64 ILE . 25793 1 65 65 VAL . 25793 1 66 66 GLU . 25793 1 67 67 ARG . 25793 1 68 68 ILE . 25793 1 69 69 LEU . 25793 1 70 70 LYS . 25793 1 71 71 GLU . 25793 1 72 72 GLU . 25793 1 73 73 SER . 25793 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 25793 1 . ASP 2 2 25793 1 . SER 3 3 25793 1 . ASN 4 4 25793 1 . THR 5 5 25793 1 . VAL 6 6 25793 1 . SER 7 7 25793 1 . SER 8 8 25793 1 . PHE 9 9 25793 1 . GLN 10 10 25793 1 . VAL 11 11 25793 1 . ASP 12 12 25793 1 . CYS 13 13 25793 1 . PHE 14 14 25793 1 . LEU 15 15 25793 1 . TRP 16 16 25793 1 . HIS 17 17 25793 1 . VAL 18 18 25793 1 . ARG 19 19 25793 1 . LYS 20 20 25793 1 . ARG 21 21 25793 1 . PHE 22 22 25793 1 . ALA 23 23 25793 1 . ASP 24 24 25793 1 . GLN 25 25 25793 1 . GLU 26 26 25793 1 . LEU 27 27 25793 1 . GLY 28 28 25793 1 . ASP 29 29 25793 1 . ALA 30 30 25793 1 . PRO 31 31 25793 1 . PHE 32 32 25793 1 . LEU 33 33 25793 1 . ASP 34 34 25793 1 . ARG 35 35 25793 1 . LEU 36 36 25793 1 . ARG 37 37 25793 1 . ARG 38 38 25793 1 . ASP 39 39 25793 1 . GLN 40 40 25793 1 . LYS 41 41 25793 1 . SER 42 42 25793 1 . LEU 43 43 25793 1 . ARG 44 44 25793 1 . GLY 45 45 25793 1 . ARG 46 46 25793 1 . GLY 47 47 25793 1 . SER 48 48 25793 1 . THR 49 49 25793 1 . LEU 50 50 25793 1 . GLY 51 51 25793 1 . LEU 52 52 25793 1 . ASP 53 53 25793 1 . ILE 54 54 25793 1 . GLU 55 55 25793 1 . THR 56 56 25793 1 . ALA 57 57 25793 1 . THR 58 58 25793 1 . ARG 59 59 25793 1 . ALA 60 60 25793 1 . GLY 61 61 25793 1 . LYS 62 62 25793 1 . GLN 63 63 25793 1 . ILE 64 64 25793 1 . VAL 65 65 25793 1 . GLU 66 66 25793 1 . ARG 67 67 25793 1 . ILE 68 68 25793 1 . LEU 69 69 25793 1 . LYS 70 70 25793 1 . GLU 71 71 25793 1 . GLU 72 72 25793 1 . SER 73 73 25793 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 25793 _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 $Influenza_NS1_RNA_Binding_Domain . . virus . Influenza . . . . . . . Influenza 'A/Brevig Mission/1/1918' . . . . . . . . . 'non-structural protein 1' 'A/Brevig Mission/1/1918' 25793 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 25793 _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 $Influenza_NS1_RNA_Binding_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-SUMO . . . 25793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25793 _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 'Influenza NS1 RNA Binding Domain' '[U-13C; U-15N]' . . 1 $Influenza_NS1_RNA_Binding_Domain . . 1.0 . . mM . . . . 25793 1 2 'Ammonium Acetate pH 6.0' 'natural abundance' . . . . . . 300 . . mM . . . . 25793 1 3 EDTA 'natural abundance' . . . . . . 2.2 . . mM . . . . 25793 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25793 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25793 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25793 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25793 _Sample.ID 2 _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 'Influenza NS1 RNA Binding Domain' [U-15N] . . 1 $Influenza_NS1_RNA_Binding_Domain . . 1 . . mM . . . . 25793 2 2 'Ammonium Acetate pH 6.0' 'natural abundance' . . . . . . 300 . . mM . . . . 25793 2 3 EDTA 'natural abundance' . . . . . . 2.0 . . mM . . . . 25793 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 25793 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25793 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25793 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25793 _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' 300 . mM 25793 1 pH 6 . pH 25793 1 pressure 1 . atm 25793 1 temperature 273 . K 25793 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25793 _Software.ID 1 _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' . . 25793 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25793 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25793 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25793 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25793 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25793 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25793 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25793 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25793 _Software.ID 4 _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' . . 25793 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25793 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25793 _Software.ID 5 _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' . . 25793 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25793 5 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 25793 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25793 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 25793 _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 . 850 . . . 25793 1 2 spectrometer_2 Bruker Avance . 600 . . . 25793 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 25793 _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 . . . . . . . . . . . . . . . . 25793 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25793 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25793 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25793 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25793 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25793 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25793 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25793 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25793 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 25793 _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 . . . . . 25793 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25793 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25793 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 25793 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 25793 _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' . . . 25793 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 ASP HA H 1 4.703 0.000 . . . . . A 2 ASP HA . 25793 1 2 . 1 1 2 2 ASP HB2 H 1 2.758 0.000 . . . . . A 2 ASP HB2 . 25793 1 3 . 1 1 2 2 ASP HB3 H 1 2.651 0.000 . . . . . A 2 ASP HB3 . 25793 1 4 . 1 1 2 2 ASP C C 13 173.678 0.000 . . . . . A 2 ASP C . 25793 1 5 . 1 1 2 2 ASP CA C 13 51.357 0.000 . . . . . A 2 ASP CA . 25793 1 6 . 1 1 2 2 ASP CB C 13 39.114 0.000 . . . . . A 2 ASP CB . 25793 1 7 . 1 1 3 3 SER H H 1 8.745 0.000 . . . . . A 3 SER H . 25793 1 8 . 1 1 3 3 SER HA H 1 4.237 0.000 . . . . . A 3 SER HA . 25793 1 9 . 1 1 3 3 SER HB2 H 1 4.025 0.000 . . . . . A 3 SER HB2 . 25793 1 10 . 1 1 3 3 SER HB3 H 1 3.911 0.000 . . . . . A 3 SER HB3 . 25793 1 11 . 1 1 3 3 SER C C 13 173.240 0.000 . . . . . A 3 SER C . 25793 1 12 . 1 1 3 3 SER CA C 13 57.300 0.000 . . . . . A 3 SER CA . 25793 1 13 . 1 1 3 3 SER CB C 13 60.653 0.000 . . . . . A 3 SER CB . 25793 1 14 . 1 1 3 3 SER N N 15 118.993 0.000 . . . . . A 3 SER N . 25793 1 15 . 1 1 4 4 ASN H H 1 8.865 0.000 . . . . . A 4 ASN H . 25793 1 16 . 1 1 4 4 ASN HA H 1 4.576 0.000 . . . . . A 4 ASN HA . 25793 1 17 . 1 1 4 4 ASN HB2 H 1 2.716 0.000 . . . . . A 4 ASN HB2 . 25793 1 18 . 1 1 4 4 ASN HB3 H 1 2.333 0.000 . . . . . A 4 ASN HB3 . 25793 1 19 . 1 1 4 4 ASN C C 13 176.101 0.000 . . . . . A 4 ASN C . 25793 1 20 . 1 1 4 4 ASN CA C 13 52.488 0.000 . . . . . A 4 ASN CA . 25793 1 21 . 1 1 4 4 ASN CB C 13 33.507 0.000 . . . . . A 4 ASN CB . 25793 1 22 . 1 1 4 4 ASN N N 15 122.369 0.000 . . . . . A 4 ASN N . 25793 1 23 . 1 1 5 5 THR H H 1 8.200 0.000 . . . . . A 5 THR H . 25793 1 24 . 1 1 5 5 THR HA H 1 4.330 0.000 . . . . . A 5 THR HA . 25793 1 25 . 1 1 5 5 THR HB H 1 4.138 0.000 . . . . . A 5 THR HB . 25793 1 26 . 1 1 5 5 THR HG21 H 1 1.294 0.000 . . . . . A 5 THR HG21 . 25793 1 27 . 1 1 5 5 THR HG22 H 1 1.294 0.000 . . . . . A 5 THR HG22 . 25793 1 28 . 1 1 5 5 THR HG23 H 1 1.294 0.000 . . . . . A 5 THR HG23 . 25793 1 29 . 1 1 5 5 THR C C 13 174.576 0.000 . . . . . A 5 THR C . 25793 1 30 . 1 1 5 5 THR CA C 13 63.330 0.000 . . . . . A 5 THR CA . 25793 1 31 . 1 1 5 5 THR CB C 13 66.155 0.000 . . . . . A 5 THR CB . 25793 1 32 . 1 1 5 5 THR CG2 C 13 19.856 0.000 . . . . . A 5 THR CG2 . 25793 1 33 . 1 1 5 5 THR N N 15 122.349 0.000 . . . . . A 5 THR N . 25793 1 34 . 1 1 6 6 VAL H H 1 7.590 0.000 . . . . . A 6 VAL H . 25793 1 35 . 1 1 6 6 VAL HA H 1 3.480 0.000 . . . . . A 6 VAL HA . 25793 1 36 . 1 1 6 6 VAL HB H 1 2.170 0.000 . . . . . A 6 VAL HB . 25793 1 37 . 1 1 6 6 VAL HG11 H 1 1.000 0.000 . . . . . A 6 VAL HG11 . 25793 1 38 . 1 1 6 6 VAL HG12 H 1 1.000 0.000 . . . . . A 6 VAL HG12 . 25793 1 39 . 1 1 6 6 VAL HG13 H 1 1.000 0.000 . . . . . A 6 VAL HG13 . 25793 1 40 . 1 1 6 6 VAL HG21 H 1 0.880 0.000 . . . . . A 6 VAL HG21 . 25793 1 41 . 1 1 6 6 VAL HG22 H 1 0.880 0.000 . . . . . A 6 VAL HG22 . 25793 1 42 . 1 1 6 6 VAL HG23 H 1 0.880 0.000 . . . . . A 6 VAL HG23 . 25793 1 43 . 1 1 6 6 VAL C C 13 174.988 0.000 . . . . . A 6 VAL C . 25793 1 44 . 1 1 6 6 VAL CA C 13 64.919 0.000 . . . . . A 6 VAL CA . 25793 1 45 . 1 1 6 6 VAL CB C 13 28.699 0.000 . . . . . A 6 VAL CB . 25793 1 46 . 1 1 6 6 VAL CG1 C 13 20.200 0.000 . . . . . A 6 VAL CG1 . 25793 1 47 . 1 1 6 6 VAL CG2 C 13 18.100 0.000 . . . . . A 6 VAL CG2 . 25793 1 48 . 1 1 6 6 VAL N N 15 124.255 0.000 . . . . . A 6 VAL N . 25793 1 49 . 1 1 7 7 SER H H 1 8.721 0.000 . . . . . A 7 SER H . 25793 1 50 . 1 1 7 7 SER HA H 1 4.459 0.000 . . . . . A 7 SER HA . 25793 1 51 . 1 1 7 7 SER HB2 H 1 4.121 0.000 . . . . . A 7 SER HB2 . 25793 1 52 . 1 1 7 7 SER HB3 H 1 3.825 0.000 . . . . . A 7 SER HB3 . 25793 1 53 . 1 1 7 7 SER C C 13 173.494 0.000 . . . . . A 7 SER C . 25793 1 54 . 1 1 7 7 SER CA C 13 59.174 0.000 . . . . . A 7 SER CA . 25793 1 55 . 1 1 7 7 SER CB C 13 60.020 0.000 . . . . . A 7 SER CB . 25793 1 56 . 1 1 7 7 SER N N 15 116.402 0.000 . . . . . A 7 SER N . 25793 1 57 . 1 1 8 8 SER H H 1 8.213 0.000 . . . . . A 8 SER H . 25793 1 58 . 1 1 8 8 SER HA H 1 3.745 0.000 . . . . . A 8 SER HA . 25793 1 59 . 1 1 8 8 SER HB2 H 1 3.907 0.000 . . . . . A 8 SER HB2 . 25793 1 60 . 1 1 8 8 SER HB3 H 1 4.015 0.000 . . . . . A 8 SER HB3 . 25793 1 61 . 1 1 8 8 SER C C 13 171.540 0.000 . . . . . A 8 SER C . 25793 1 62 . 1 1 8 8 SER CA C 13 60.322 0.000 . . . . . A 8 SER CA . 25793 1 63 . 1 1 8 8 SER CB C 13 60.785 0.000 . . . . . A 8 SER CB . 25793 1 64 . 1 1 8 8 SER N N 15 116.463 0.000 . . . . . A 8 SER N . 25793 1 65 . 1 1 9 9 PHE H H 1 7.387 0.000 . . . . . A 9 PHE H . 25793 1 66 . 1 1 9 9 PHE HA H 1 4.405 0.000 . . . . . A 9 PHE HA . 25793 1 67 . 1 1 9 9 PHE HB2 H 1 3.090 0.000 . . . . . A 9 PHE HB2 . 25793 1 68 . 1 1 9 9 PHE HB3 H 1 3.161 0.000 . . . . . A 9 PHE HB3 . 25793 1 69 . 1 1 9 9 PHE HD1 H 1 6.867 0.000 . . . . . A 9 PHE HD1 . 25793 1 70 . 1 1 9 9 PHE HD2 H 1 6.867 0.000 . . . . . A 9 PHE HD2 . 25793 1 71 . 1 1 9 9 PHE HE1 H 1 7.095 0.000 . . . . . A 9 PHE HE1 . 25793 1 72 . 1 1 9 9 PHE HE2 H 1 7.095 0.000 . . . . . A 9 PHE HE2 . 25793 1 73 . 1 1 9 9 PHE HZ H 1 6.788 0.000 . . . . . A 9 PHE HZ . 25793 1 74 . 1 1 9 9 PHE C C 13 174.481 0.000 . . . . . A 9 PHE C . 25793 1 75 . 1 1 9 9 PHE CA C 13 58.488 0.000 . . . . . A 9 PHE CA . 25793 1 76 . 1 1 9 9 PHE CB C 13 36.397 0.000 . . . . . A 9 PHE CB . 25793 1 77 . 1 1 9 9 PHE CD1 C 13 128.156 0.000 . . . . . A 9 PHE CD1 . 25793 1 78 . 1 1 9 9 PHE CD2 C 13 128.156 0.000 . . . . . A 9 PHE CD2 . 25793 1 79 . 1 1 9 9 PHE CE1 C 13 129.094 0.000 . . . . . A 9 PHE CE1 . 25793 1 80 . 1 1 9 9 PHE CE2 C 13 129.094 0.000 . . . . . A 9 PHE CE2 . 25793 1 81 . 1 1 9 9 PHE CZ C 13 127.219 0.000 . . . . . A 9 PHE CZ . 25793 1 82 . 1 1 9 9 PHE N N 15 121.530 0.000 . . . . . A 9 PHE N . 25793 1 83 . 1 1 10 10 GLN H H 1 8.335 0.000 . . . . . A 10 GLN H . 25793 1 84 . 1 1 10 10 GLN HA H 1 3.516 0.000 . . . . . A 10 GLN HA . 25793 1 85 . 1 1 10 10 GLN HB2 H 1 2.510 0.000 . . . . . A 10 GLN HB2 . 25793 1 86 . 1 1 10 10 GLN HB3 H 1 1.568 0.000 . . . . . A 10 GLN HB3 . 25793 1 87 . 1 1 10 10 GLN HG2 H 1 2.764 0.000 . . . . . A 10 GLN HG2 . 25793 1 88 . 1 1 10 10 GLN HG3 H 1 2.320 0.000 . . . . . A 10 GLN HG3 . 25793 1 89 . 1 1 10 10 GLN C C 13 176.083 0.000 . . . . . A 10 GLN C . 25793 1 90 . 1 1 10 10 GLN CA C 13 56.595 0.000 . . . . . A 10 GLN CA . 25793 1 91 . 1 1 10 10 GLN CB C 13 23.672 0.000 . . . . . A 10 GLN CB . 25793 1 92 . 1 1 10 10 GLN CG C 13 30.800 0.000 . . . . . A 10 GLN CG . 25793 1 93 . 1 1 10 10 GLN N N 15 119.460 0.000 . . . . . A 10 GLN N . 25793 1 94 . 1 1 11 11 VAL H H 1 8.127 0.000 . . . . . A 11 VAL H . 25793 1 95 . 1 1 11 11 VAL HA H 1 3.300 0.000 . . . . . A 11 VAL HA . 25793 1 96 . 1 1 11 11 VAL HB H 1 1.400 0.000 . . . . . A 11 VAL HB . 25793 1 97 . 1 1 11 11 VAL HG11 H 1 0.150 0.000 . . . . . A 11 VAL HG11 . 25793 1 98 . 1 1 11 11 VAL HG12 H 1 0.150 0.000 . . . . . A 11 VAL HG12 . 25793 1 99 . 1 1 11 11 VAL HG13 H 1 0.150 0.000 . . . . . A 11 VAL HG13 . 25793 1 100 . 1 1 11 11 VAL HG21 H 1 0.300 0.000 . . . . . A 11 VAL HG21 . 25793 1 101 . 1 1 11 11 VAL HG22 H 1 0.300 0.000 . . . . . A 11 VAL HG22 . 25793 1 102 . 1 1 11 11 VAL HG23 H 1 0.300 0.000 . . . . . A 11 VAL HG23 . 25793 1 103 . 1 1 11 11 VAL C C 13 174.535 0.000 . . . . . A 11 VAL C . 25793 1 104 . 1 1 11 11 VAL CA C 13 65.180 0.000 . . . . . A 11 VAL CA . 25793 1 105 . 1 1 11 11 VAL CB C 13 28.300 0.000 . . . . . A 11 VAL CB . 25793 1 106 . 1 1 11 11 VAL CG1 C 13 21.460 0.000 . . . . . A 11 VAL CG1 . 25793 1 107 . 1 1 11 11 VAL CG2 C 13 17.560 0.000 . . . . . A 11 VAL CG2 . 25793 1 108 . 1 1 11 11 VAL N N 15 119.513 0.000 . . . . . A 11 VAL N . 25793 1 109 . 1 1 12 12 ASP H H 1 8.116 0.000 . . . . . A 12 ASP H . 25793 1 110 . 1 1 12 12 ASP HA H 1 4.414 0.000 . . . . . A 12 ASP HA . 25793 1 111 . 1 1 12 12 ASP HB2 H 1 2.747 0.000 . . . . . A 12 ASP HB2 . 25793 1 112 . 1 1 12 12 ASP HB3 H 1 2.517 0.000 . . . . . A 12 ASP HB3 . 25793 1 113 . 1 1 12 12 ASP C C 13 177.940 0.000 . . . . . A 12 ASP C . 25793 1 114 . 1 1 12 12 ASP CA C 13 55.349 0.000 . . . . . A 12 ASP CA . 25793 1 115 . 1 1 12 12 ASP CB C 13 37.275 0.000 . . . . . A 12 ASP CB . 25793 1 116 . 1 1 12 12 ASP N N 15 120.959 0.000 . . . . . A 12 ASP N . 25793 1 117 . 1 1 13 13 CYS H H 1 8.448 0.000 . . . . . A 13 CYS H . 25793 1 118 . 1 1 13 13 CYS HA H 1 4.015 0.000 . . . . . A 13 CYS HA . 25793 1 119 . 1 1 13 13 CYS HB2 H 1 2.650 0.000 . . . . . A 13 CYS HB2 . 25793 1 120 . 1 1 13 13 CYS HB3 H 1 2.792 0.000 . . . . . A 13 CYS HB3 . 25793 1 121 . 1 1 13 13 CYS C C 13 175.349 0.000 . . . . . A 13 CYS C . 25793 1 122 . 1 1 13 13 CYS CA C 13 62.384 0.000 . . . . . A 13 CYS CA . 25793 1 123 . 1 1 13 13 CYS CB C 13 23.610 0.000 . . . . . A 13 CYS CB . 25793 1 124 . 1 1 13 13 CYS N N 15 119.479 0.000 . . . . . A 13 CYS N . 25793 1 125 . 1 1 14 14 PHE H H 1 8.244 0.000 . . . . . A 14 PHE H . 25793 1 126 . 1 1 14 14 PHE HA H 1 4.460 0.000 . . . . . A 14 PHE HA . 25793 1 127 . 1 1 14 14 PHE HB2 H 1 3.598 0.000 . . . . . A 14 PHE HB2 . 25793 1 128 . 1 1 14 14 PHE HB3 H 1 2.682 0.000 . . . . . A 14 PHE HB3 . 25793 1 129 . 1 1 14 14 PHE HD1 H 1 7.057 0.000 . . . . . A 14 PHE HD1 . 25793 1 130 . 1 1 14 14 PHE HD2 H 1 7.057 0.000 . . . . . A 14 PHE HD2 . 25793 1 131 . 1 1 14 14 PHE HE1 H 1 7.252 0.000 . . . . . A 14 PHE HE1 . 25793 1 132 . 1 1 14 14 PHE HE2 H 1 7.252 0.000 . . . . . A 14 PHE HE2 . 25793 1 133 . 1 1 14 14 PHE HZ H 1 7.143 0.000 . . . . . A 14 PHE HZ . 25793 1 134 . 1 1 14 14 PHE C C 13 174.143 0.000 . . . . . A 14 PHE C . 25793 1 135 . 1 1 14 14 PHE CA C 13 59.902 0.000 . . . . . A 14 PHE CA . 25793 1 136 . 1 1 14 14 PHE CB C 13 35.907 0.000 . . . . . A 14 PHE CB . 25793 1 137 . 1 1 14 14 PHE N N 15 121.085 0.000 . . . . . A 14 PHE N . 25793 1 138 . 1 1 15 15 LEU H H 1 9.072 0.000 . . . . . A 15 LEU H . 25793 1 139 . 1 1 15 15 LEU HA H 1 3.735 0.000 . . . . . A 15 LEU HA . 25793 1 140 . 1 1 15 15 LEU HB2 H 1 1.950 0.000 . . . . . A 15 LEU HB2 . 25793 1 141 . 1 1 15 15 LEU HB3 H 1 1.397 0.000 . . . . . A 15 LEU HB3 . 25793 1 142 . 1 1 15 15 LEU HG H 1 2.067 0.000 . . . . . A 15 LEU HG . 25793 1 143 . 1 1 15 15 LEU HD11 H 1 0.816 0.000 . . . . . A 15 LEU HD11 . 25793 1 144 . 1 1 15 15 LEU HD12 H 1 0.816 0.000 . . . . . A 15 LEU HD12 . 25793 1 145 . 1 1 15 15 LEU HD13 H 1 0.816 0.000 . . . . . A 15 LEU HD13 . 25793 1 146 . 1 1 15 15 LEU HD21 H 1 0.780 0.000 . . . . . A 15 LEU HD21 . 25793 1 147 . 1 1 15 15 LEU HD22 H 1 0.780 0.000 . . . . . A 15 LEU HD22 . 25793 1 148 . 1 1 15 15 LEU HD23 H 1 0.780 0.000 . . . . . A 15 LEU HD23 . 25793 1 149 . 1 1 15 15 LEU C C 13 176.261 0.000 . . . . . A 15 LEU C . 25793 1 150 . 1 1 15 15 LEU CA C 13 55.494 0.000 . . . . . A 15 LEU CA . 25793 1 151 . 1 1 15 15 LEU CB C 13 36.676 0.000 . . . . . A 15 LEU CB . 25793 1 152 . 1 1 15 15 LEU CG C 13 23.560 0.000 . . . . . A 15 LEU CG . 25793 1 153 . 1 1 15 15 LEU CD1 C 13 19.640 0.000 . . . . . A 15 LEU CD1 . 25793 1 154 . 1 1 15 15 LEU CD2 C 13 23.560 0.000 . . . . . A 15 LEU CD2 . 25793 1 155 . 1 1 15 15 LEU N N 15 118.069 0.000 . . . . . A 15 LEU N . 25793 1 156 . 1 1 16 16 TRP H H 1 8.142 0.000 . . . . . A 16 TRP H . 25793 1 157 . 1 1 16 16 TRP HA H 1 3.660 0.000 . . . . . A 16 TRP HA . 25793 1 158 . 1 1 16 16 TRP HB2 H 1 3.360 0.000 . . . . . A 16 TRP HB2 . 25793 1 159 . 1 1 16 16 TRP HB3 H 1 3.090 0.000 . . . . . A 16 TRP HB3 . 25793 1 160 . 1 1 16 16 TRP HD1 H 1 6.897 0.000 . . . . . A 16 TRP HD1 . 25793 1 161 . 1 1 16 16 TRP HE1 H 1 10.423 0.000 . . . . . A 16 TRP HE1 . 25793 1 162 . 1 1 16 16 TRP HE3 H 1 7.258 0.000 . . . . . A 16 TRP HE3 . 25793 1 163 . 1 1 16 16 TRP HZ2 H 1 7.161 0.000 . . . . . A 16 TRP HZ2 . 25793 1 164 . 1 1 16 16 TRP HZ3 H 1 7.065 0.000 . . . . . A 16 TRP HZ3 . 25793 1 165 . 1 1 16 16 TRP HH2 H 1 7.035 0.000 . . . . . A 16 TRP HH2 . 25793 1 166 . 1 1 16 16 TRP C C 13 173.925 0.000 . . . . . A 16 TRP C . 25793 1 167 . 1 1 16 16 TRP CA C 13 61.127 0.000 . . . . . A 16 TRP CA . 25793 1 168 . 1 1 16 16 TRP CB C 13 26.247 0.000 . . . . . A 16 TRP CB . 25793 1 169 . 1 1 16 16 TRP N N 15 120.587 0.000 . . . . . A 16 TRP N . 25793 1 170 . 1 1 16 16 TRP NE1 N 15 128.555 0.000 . . . . . A 16 TRP NE1 . 25793 1 171 . 1 1 17 17 HIS H H 1 7.697 0.000 . . . . . A 17 HIS H . 25793 1 172 . 1 1 17 17 HIS HA H 1 4.022 0.000 . . . . . A 17 HIS HA . 25793 1 173 . 1 1 17 17 HIS HB2 H 1 3.571 0.000 . . . . . A 17 HIS HB2 . 25793 1 174 . 1 1 17 17 HIS HB3 H 1 3.318 0.000 . . . . . A 17 HIS HB3 . 25793 1 175 . 1 1 17 17 HIS HD2 H 1 6.539 0.000 . . . . . A 17 HIS HD2 . 25793 1 176 . 1 1 17 17 HIS HE1 H 1 8.256 0.000 . . . . . A 17 HIS HE1 . 25793 1 177 . 1 1 17 17 HIS C C 13 173.650 0.000 . . . . . A 17 HIS C . 25793 1 178 . 1 1 17 17 HIS CA C 13 57.350 0.000 . . . . . A 17 HIS CA . 25793 1 179 . 1 1 17 17 HIS CB C 13 25.231 0.000 . . . . . A 17 HIS CB . 25793 1 180 . 1 1 17 17 HIS CD2 C 13 116.906 0.000 . . . . . A 17 HIS CD2 . 25793 1 181 . 1 1 17 17 HIS CE1 C 13 134.719 0.000 . . . . . A 17 HIS CE1 . 25793 1 182 . 1 1 17 17 HIS N N 15 117.927 0.000 . . . . . A 17 HIS N . 25793 1 183 . 1 1 18 18 VAL H H 1 7.651 0.000 . . . . . A 18 VAL H . 25793 1 184 . 1 1 18 18 VAL HA H 1 2.949 0.000 . . . . . A 18 VAL HA . 25793 1 185 . 1 1 18 18 VAL HB H 1 1.964 0.000 . . . . . A 18 VAL HB . 25793 1 186 . 1 1 18 18 VAL HG11 H 1 0.426 0.000 . . . . . A 18 VAL HG11 . 25793 1 187 . 1 1 18 18 VAL HG12 H 1 0.426 0.000 . . . . . A 18 VAL HG12 . 25793 1 188 . 1 1 18 18 VAL HG13 H 1 0.426 0.000 . . . . . A 18 VAL HG13 . 25793 1 189 . 1 1 18 18 VAL HG21 H 1 0.761 0.000 . . . . . A 18 VAL HG21 . 25793 1 190 . 1 1 18 18 VAL HG22 H 1 0.761 0.000 . . . . . A 18 VAL HG22 . 25793 1 191 . 1 1 18 18 VAL HG23 H 1 0.761 0.000 . . . . . A 18 VAL HG23 . 25793 1 192 . 1 1 18 18 VAL C C 13 174.321 0.000 . . . . . A 18 VAL C . 25793 1 193 . 1 1 18 18 VAL CA C 13 64.400 0.000 . . . . . A 18 VAL CA . 25793 1 194 . 1 1 18 18 VAL CB C 13 28.400 0.000 . . . . . A 18 VAL CB . 25793 1 195 . 1 1 18 18 VAL CG1 C 13 21.034 0.000 . . . . . A 18 VAL CG1 . 25793 1 196 . 1 1 18 18 VAL CG2 C 13 19.675 0.000 . . . . . A 18 VAL CG2 . 25793 1 197 . 1 1 18 18 VAL N N 15 118.787 0.000 . . . . . A 18 VAL N . 25793 1 198 . 1 1 19 19 ARG H H 1 7.602 0.000 . . . . . A 19 ARG H . 25793 1 199 . 1 1 19 19 ARG HA H 1 3.661 0.000 . . . . . A 19 ARG HA . 25793 1 200 . 1 1 19 19 ARG HB2 H 1 1.559 0.000 . . . . . A 19 ARG HB2 . 25793 1 201 . 1 1 19 19 ARG HB3 H 1 1.559 0.000 . . . . . A 19 ARG HB3 . 25793 1 202 . 1 1 19 19 ARG C C 13 174.575 0.000 . . . . . A 19 ARG C . 25793 1 203 . 1 1 19 19 ARG CA C 13 57.558 0.000 . . . . . A 19 ARG CA . 25793 1 204 . 1 1 19 19 ARG CB C 13 28.140 0.000 . . . . . A 19 ARG CB . 25793 1 205 . 1 1 19 19 ARG CG C 13 25.020 0.000 . . . . . A 19 ARG CG . 25793 1 206 . 1 1 19 19 ARG CD C 13 40.885 0.000 . . . . . A 19 ARG CD . 25793 1 207 . 1 1 19 19 ARG N N 15 118.108 0.000 . . . . . A 19 ARG N . 25793 1 208 . 1 1 20 20 LYS H H 1 8.304 0.000 . . . . . A 20 LYS H . 25793 1 209 . 1 1 20 20 LYS HA H 1 3.530 0.000 . . . . . A 20 LYS HA . 25793 1 210 . 1 1 20 20 LYS HB2 H 1 1.476 0.000 . . . . . A 20 LYS HB2 . 25793 1 211 . 1 1 20 20 LYS HB3 H 1 0.209 0.000 . . . . . A 20 LYS HB3 . 25793 1 212 . 1 1 20 20 LYS HG2 H 1 2.998 0.000 . . . . . A 20 LYS HG2 . 25793 1 213 . 1 1 20 20 LYS HG3 H 1 3.046 0.000 . . . . . A 20 LYS HG3 . 25793 1 214 . 1 1 20 20 LYS HD2 H 1 1.158 0.000 . . . . . A 20 LYS HD2 . 25793 1 215 . 1 1 20 20 LYS HD3 H 1 1.246 0.000 . . . . . A 20 LYS HD3 . 25793 1 216 . 1 1 20 20 LYS HE2 H 1 1.225 0.000 . . . . . A 20 LYS HE2 . 25793 1 217 . 1 1 20 20 LYS HE3 H 1 1.225 0.000 . . . . . A 20 LYS HE3 . 25793 1 218 . 1 1 20 20 LYS C C 13 174.970 0.000 . . . . . A 20 LYS C . 25793 1 219 . 1 1 20 20 LYS CA C 13 55.292 0.000 . . . . . A 20 LYS CA . 25793 1 220 . 1 1 20 20 LYS CB C 13 28.420 0.000 . . . . . A 20 LYS CB . 25793 1 221 . 1 1 20 20 LYS CG C 13 39.549 0.000 . . . . . A 20 LYS CG . 25793 1 222 . 1 1 20 20 LYS CD C 13 21.581 0.000 . . . . . A 20 LYS CD . 25793 1 223 . 1 1 20 20 LYS CE C 13 25.385 0.000 . . . . . A 20 LYS CE . 25793 1 224 . 1 1 20 20 LYS N N 15 121.889 0.000 . . . . . A 20 LYS N . 25793 1 225 . 1 1 21 21 ARG H H 1 7.772 0.000 . . . . . A 21 ARG H . 25793 1 226 . 1 1 21 21 ARG HA H 1 3.915 0.000 . . . . . A 21 ARG HA . 25793 1 227 . 1 1 21 21 ARG HB2 H 1 1.783 0.000 . . . . . A 21 ARG HB2 . 25793 1 228 . 1 1 21 21 ARG HB3 H 1 1.589 0.000 . . . . . A 21 ARG HB3 . 25793 1 229 . 1 1 21 21 ARG C C 13 176.513 0.000 . . . . . A 21 ARG C . 25793 1 230 . 1 1 21 21 ARG CA C 13 55.003 0.000 . . . . . A 21 ARG CA . 25793 1 231 . 1 1 21 21 ARG CB C 13 26.002 0.000 . . . . . A 21 ARG CB . 25793 1 232 . 1 1 21 21 ARG CG C 13 23.712 0.000 . . . . . A 21 ARG CG . 25793 1 233 . 1 1 21 21 ARG CD C 13 38.842 0.000 . . . . . A 21 ARG CD . 25793 1 234 . 1 1 21 21 ARG N N 15 118.825 0.000 . . . . . A 21 ARG N . 25793 1 235 . 1 1 22 22 PHE H H 1 7.799 0.000 . . . . . A 22 PHE H . 25793 1 236 . 1 1 22 22 PHE HA H 1 3.899 0.000 . . . . . A 22 PHE HA . 25793 1 237 . 1 1 22 22 PHE HB2 H 1 3.263 0.000 . . . . . A 22 PHE HB2 . 25793 1 238 . 1 1 22 22 PHE HB3 H 1 2.703 0.000 . . . . . A 22 PHE HB3 . 25793 1 239 . 1 1 22 22 PHE HD1 H 1 6.616 0.000 . . . . . A 22 PHE HD1 . 25793 1 240 . 1 1 22 22 PHE HD2 H 1 6.616 0.000 . . . . . A 22 PHE HD2 . 25793 1 241 . 1 1 22 22 PHE HE1 H 1 6.314 0.000 . . . . . A 22 PHE HE1 . 25793 1 242 . 1 1 22 22 PHE HE2 H 1 6.314 0.000 . . . . . A 22 PHE HE2 . 25793 1 243 . 1 1 22 22 PHE HZ H 1 6.373 0.000 . . . . . A 22 PHE HZ . 25793 1 244 . 1 1 22 22 PHE C C 13 173.880 0.000 . . . . . A 22 PHE C . 25793 1 245 . 1 1 22 22 PHE CA C 13 58.542 0.000 . . . . . A 22 PHE CA . 25793 1 246 . 1 1 22 22 PHE CB C 13 35.961 0.000 . . . . . A 22 PHE CB . 25793 1 247 . 1 1 22 22 PHE CD1 C 13 129.094 0.000 . . . . . A 22 PHE CD1 . 25793 1 248 . 1 1 22 22 PHE CD2 C 13 129.094 0.000 . . . . . A 22 PHE CD2 . 25793 1 249 . 1 1 22 22 PHE CE1 C 13 128.625 0.000 . . . . . A 22 PHE CE1 . 25793 1 250 . 1 1 22 22 PHE CE2 C 13 128.625 0.000 . . . . . A 22 PHE CE2 . 25793 1 251 . 1 1 22 22 PHE CZ C 13 127.688 0.000 . . . . . A 22 PHE CZ . 25793 1 252 . 1 1 22 22 PHE N N 15 120.501 0.000 . . . . . A 22 PHE N . 25793 1 253 . 1 1 23 23 ALA H H 1 8.627 0.000 . . . . . A 23 ALA H . 25793 1 254 . 1 1 23 23 ALA HA H 1 3.720 0.000 . . . . . A 23 ALA HA . 25793 1 255 . 1 1 23 23 ALA HB1 H 1 1.520 0.000 . . . . . A 23 ALA HB1 . 25793 1 256 . 1 1 23 23 ALA HB2 H 1 1.520 0.000 . . . . . A 23 ALA HB2 . 25793 1 257 . 1 1 23 23 ALA HB3 H 1 1.520 0.000 . . . . . A 23 ALA HB3 . 25793 1 258 . 1 1 23 23 ALA C C 13 179.545 0.000 . . . . . A 23 ALA C . 25793 1 259 . 1 1 23 23 ALA CA C 13 51.750 0.000 . . . . . A 23 ALA CA . 25793 1 260 . 1 1 23 23 ALA CB C 13 15.970 0.000 . . . . . A 23 ALA CB . 25793 1 261 . 1 1 23 23 ALA N N 15 123.040 0.000 . . . . . A 23 ALA N . 25793 1 262 . 1 1 24 24 ASP H H 1 8.846 0.000 . . . . . A 24 ASP H . 25793 1 263 . 1 1 24 24 ASP HA H 1 4.323 0.000 . . . . . A 24 ASP HA . 25793 1 264 . 1 1 24 24 ASP HB2 H 1 2.915 0.000 . . . . . A 24 ASP HB2 . 25793 1 265 . 1 1 24 24 ASP HB3 H 1 2.800 0.000 . . . . . A 24 ASP HB3 . 25793 1 266 . 1 1 24 24 ASP C C 13 175.020 0.000 . . . . . A 24 ASP C . 25793 1 267 . 1 1 24 24 ASP CA C 13 53.645 0.000 . . . . . A 24 ASP CA . 25793 1 268 . 1 1 24 24 ASP CB C 13 37.158 0.000 . . . . . A 24 ASP CB . 25793 1 269 . 1 1 24 24 ASP N N 15 121.514 0.000 . . . . . A 24 ASP N . 25793 1 270 . 1 1 25 25 GLN H H 1 7.192 0.000 . . . . . A 25 GLN H . 25793 1 271 . 1 1 25 25 GLN HA H 1 4.159 0.000 . . . . . A 25 GLN HA . 25793 1 272 . 1 1 25 25 GLN HB2 H 1 2.108 0.000 . . . . . A 25 GLN HB2 . 25793 1 273 . 1 1 25 25 GLN HB3 H 1 1.828 0.000 . . . . . A 25 GLN HB3 . 25793 1 274 . 1 1 25 25 GLN HG2 H 1 2.470 0.000 . . . . . A 25 GLN HG2 . 25793 1 275 . 1 1 25 25 GLN HG3 H 1 2.280 0.000 . . . . . A 25 GLN HG3 . 25793 1 276 . 1 1 25 25 GLN C C 13 171.680 0.000 . . . . . A 25 GLN C . 25793 1 277 . 1 1 25 25 GLN CA C 13 53.101 0.000 . . . . . A 25 GLN CA . 25793 1 278 . 1 1 25 25 GLN CB C 13 25.351 0.000 . . . . . A 25 GLN CB . 25793 1 279 . 1 1 25 25 GLN CG C 13 31.418 0.000 . . . . . A 25 GLN CG . 25793 1 280 . 1 1 25 25 GLN N N 15 118.127 0.000 . . . . . A 25 GLN N . 25793 1 281 . 1 1 26 26 GLU H H 1 7.975 0.000 . . . . . A 26 GLU H . 25793 1 282 . 1 1 26 26 GLU HA H 1 3.906 0.000 . . . . . A 26 GLU HA . 25793 1 283 . 1 1 26 26 GLU HB2 H 1 2.122 0.000 . . . . . A 26 GLU HB2 . 25793 1 284 . 1 1 26 26 GLU HB3 H 1 2.122 0.000 . . . . . A 26 GLU HB3 . 25793 1 285 . 1 1 26 26 GLU HG2 H 1 2.045 0.000 . . . . . A 26 GLU HG2 . 25793 1 286 . 1 1 26 26 GLU HG3 H 1 1.994 0.000 . . . . . A 26 GLU HG3 . 25793 1 287 . 1 1 26 26 GLU C C 13 173.060 0.000 . . . . . A 26 GLU C . 25793 1 288 . 1 1 26 26 GLU CA C 13 54.352 0.000 . . . . . A 26 GLU CA . 25793 1 289 . 1 1 26 26 GLU CB C 13 22.759 0.000 . . . . . A 26 GLU CB . 25793 1 290 . 1 1 26 26 GLU CG C 13 33.660 0.000 . . . . . A 26 GLU CG . 25793 1 291 . 1 1 26 26 GLU N N 15 112.361 0.000 . . . . . A 26 GLU N . 25793 1 292 . 1 1 27 27 LEU H H 1 5.781 0.000 . . . . . A 27 LEU H . 25793 1 293 . 1 1 27 27 LEU HA H 1 4.043 0.000 . . . . . A 27 LEU HA . 25793 1 294 . 1 1 27 27 LEU HB2 H 1 0.754 0.000 . . . . . A 27 LEU HB2 . 25793 1 295 . 1 1 27 27 LEU HB3 H 1 -0.292 0.000 . . . . . A 27 LEU HB3 . 25793 1 296 . 1 1 27 27 LEU HG H 1 1.002 0.000 . . . . . A 27 LEU HG . 25793 1 297 . 1 1 27 27 LEU HD11 H 1 0.560 0.000 . . . . . A 27 LEU HD11 . 25793 1 298 . 1 1 27 27 LEU HD12 H 1 0.560 0.000 . . . . . A 27 LEU HD12 . 25793 1 299 . 1 1 27 27 LEU HD13 H 1 0.560 0.000 . . . . . A 27 LEU HD13 . 25793 1 300 . 1 1 27 27 LEU HD21 H 1 0.57 0.000 . . . . . A 27 LEU HD21 . 25793 1 301 . 1 1 27 27 LEU HD22 H 1 0.57 0.000 . . . . . A 27 LEU HD22 . 25793 1 302 . 1 1 27 27 LEU HD23 H 1 0.57 0.000 . . . . . A 27 LEU HD23 . 25793 1 303 . 1 1 27 27 LEU C C 13 172.610 0.000 . . . . . A 27 LEU C . 25793 1 304 . 1 1 27 27 LEU CA C 13 50.921 0.000 . . . . . A 27 LEU CA . 25793 1 305 . 1 1 27 27 LEU CB C 13 40.359 0.000 . . . . . A 27 LEU CB . 25793 1 306 . 1 1 27 27 LEU CG C 13 23.270 0.000 . . . . . A 27 LEU CG . 25793 1 307 . 1 1 27 27 LEU CD1 C 13 22.990 0.000 . . . . . A 27 LEU CD1 . 25793 1 308 . 1 1 27 27 LEU CD2 C 13 19.557 0.000 . . . . . A 27 LEU CD2 . 25793 1 309 . 1 1 27 27 LEU N N 15 115.873 0.000 . . . . . A 27 LEU N . 25793 1 310 . 1 1 28 28 GLY H H 1 7.785 0.000 . . . . . A 28 GLY H . 25793 1 311 . 1 1 28 28 GLY HA2 H 1 4.063 0.000 . . . . . A 28 GLY HA2 . 25793 1 312 . 1 1 28 28 GLY HA3 H 1 2.920 0.000 . . . . . A 28 GLY HA3 . 25793 1 313 . 1 1 28 28 GLY C C 13 172.297 0.000 . . . . . A 28 GLY C . 25793 1 314 . 1 1 28 28 GLY CA C 13 41.348 0.000 . . . . . A 28 GLY CA . 25793 1 315 . 1 1 28 28 GLY N N 15 103.011 0.000 . . . . . A 28 GLY N . 25793 1 316 . 1 1 29 29 ASP H H 1 7.515 0.000 . . . . . A 29 ASP H . 25793 1 317 . 1 1 29 29 ASP HA H 1 4.720 0.000 . . . . . A 29 ASP HA . 25793 1 318 . 1 1 29 29 ASP HB2 H 1 3.127 0.000 . . . . . A 29 ASP HB2 . 25793 1 319 . 1 1 29 29 ASP HB3 H 1 2.210 0.000 . . . . . A 29 ASP HB3 . 25793 1 320 . 1 1 29 29 ASP C C 13 172.137 0.000 . . . . . A 29 ASP C . 25793 1 321 . 1 1 29 29 ASP CA C 13 48.748 0.000 . . . . . A 29 ASP CA . 25793 1 322 . 1 1 29 29 ASP CB C 13 38.519 0.000 . . . . . A 29 ASP CB . 25793 1 323 . 1 1 29 29 ASP N N 15 122.671 0.000 . . . . . A 29 ASP N . 25793 1 324 . 1 1 30 30 ALA H H 1 8.492 0.000 . . . . . A 30 ALA H . 25793 1 325 . 1 1 30 30 ALA HA H 1 4.240 0.000 . . . . . A 30 ALA HA . 25793 1 326 . 1 1 30 30 ALA HB1 H 1 1.480 0.000 . . . . . A 30 ALA HB1 . 25793 1 327 . 1 1 30 30 ALA HB2 H 1 1.480 0.000 . . . . . A 30 ALA HB2 . 25793 1 328 . 1 1 30 30 ALA HB3 H 1 1.480 0.000 . . . . . A 30 ALA HB3 . 25793 1 329 . 1 1 30 30 ALA CA C 13 54.400 0.000 . . . . . A 30 ALA CA . 25793 1 330 . 1 1 30 30 ALA CB C 13 12.540 0.000 . . . . . A 30 ALA CB . 25793 1 331 . 1 1 30 30 ALA N N 15 119.757 0.000 . . . . . A 30 ALA N . 25793 1 332 . 1 1 31 31 PRO HA H 1 4.361 0.000 . . . . . A 31 PRO HA . 25793 1 333 . 1 1 31 31 PRO HB2 H 1 2.264 0.000 . . . . . A 31 PRO HB2 . 25793 1 334 . 1 1 31 31 PRO HB3 H 1 2.020 0.000 . . . . . A 31 PRO HB3 . 25793 1 335 . 1 1 31 31 PRO HG2 H 1 2.163 0.000 . . . . . A 31 PRO HG2 . 25793 1 336 . 1 1 31 31 PRO HG3 H 1 1.828 0.000 . . . . . A 31 PRO HG3 . 25793 1 337 . 1 1 31 31 PRO HD2 H 1 3.619 0.000 . . . . . A 31 PRO HD2 . 25793 1 338 . 1 1 31 31 PRO HD3 H 1 3.756 0.000 . . . . . A 31 PRO HD3 . 25793 1 339 . 1 1 31 31 PRO C C 13 175.699 0.000 . . . . . A 31 PRO C . 25793 1 340 . 1 1 31 31 PRO CA C 13 63.220 0.000 . . . . . A 31 PRO CA . 25793 1 341 . 1 1 31 31 PRO CB C 13 28.336 0.000 . . . . . A 31 PRO CB . 25793 1 342 . 1 1 31 31 PRO CG C 13 25.583 0.000 . . . . . A 31 PRO CG . 25793 1 343 . 1 1 31 31 PRO CD C 13 47.600 0.000 . . . . . A 31 PRO CD . 25793 1 344 . 1 1 32 32 PHE H H 1 7.949 0.000 . . . . . A 32 PHE H . 25793 1 345 . 1 1 32 32 PHE HA H 1 3.885 0.000 . . . . . A 32 PHE HA . 25793 1 346 . 1 1 32 32 PHE HB2 H 1 3.468 0.000 . . . . . A 32 PHE HB2 . 25793 1 347 . 1 1 32 32 PHE HB3 H 1 3.345 0.000 . . . . . A 32 PHE HB3 . 25793 1 348 . 1 1 32 32 PHE HD1 H 1 7.116 0.000 . . . . . A 32 PHE HD1 . 25793 1 349 . 1 1 32 32 PHE HD2 H 1 7.116 0.000 . . . . . A 32 PHE HD2 . 25793 1 350 . 1 1 32 32 PHE HE1 H 1 7.375 0.000 . . . . . A 32 PHE HE1 . 25793 1 351 . 1 1 32 32 PHE HE2 H 1 7.375 0.000 . . . . . A 32 PHE HE2 . 25793 1 352 . 1 1 32 32 PHE HZ H 1 6.848 0.000 . . . . . A 32 PHE HZ . 25793 1 353 . 1 1 32 32 PHE C C 13 176.949 0.000 . . . . . A 32 PHE C . 25793 1 354 . 1 1 32 32 PHE CA C 13 59.685 0.000 . . . . . A 32 PHE CA . 25793 1 355 . 1 1 32 32 PHE CB C 13 36.778 0.000 . . . . . A 32 PHE CB . 25793 1 356 . 1 1 32 32 PHE CD1 C 13 129.328 0.000 . . . . . A 32 PHE CD1 . 25793 1 357 . 1 1 32 32 PHE CD2 C 13 129.328 0.000 . . . . . A 32 PHE CD2 . 25793 1 358 . 1 1 32 32 PHE CE1 C 13 129.094 0.000 . . . . . A 32 PHE CE1 . 25793 1 359 . 1 1 32 32 PHE CE2 C 13 129.094 0.000 . . . . . A 32 PHE CE2 . 25793 1 360 . 1 1 32 32 PHE CZ C 13 127.453 0.000 . . . . . A 32 PHE CZ . 25793 1 361 . 1 1 32 32 PHE N N 15 119.824 0.000 . . . . . A 32 PHE N . 25793 1 362 . 1 1 33 33 LEU H H 1 8.386 0.000 . . . . . A 33 LEU H . 25793 1 363 . 1 1 33 33 LEU HA H 1 4.063 0.000 . . . . . A 33 LEU HA . 25793 1 364 . 1 1 33 33 LEU HB2 H 1 2.035 0.000 . . . . . A 33 LEU HB2 . 25793 1 365 . 1 1 33 33 LEU HB3 H 1 1.520 0.000 . . . . . A 33 LEU HB3 . 25793 1 366 . 1 1 33 33 LEU HG H 1 1.889 0.000 . . . . . A 33 LEU HG . 25793 1 367 . 1 1 33 33 LEU HD11 H 1 0.843 0.000 . . . . . A 33 LEU HD11 . 25793 1 368 . 1 1 33 33 LEU HD12 H 1 0.843 0.000 . . . . . A 33 LEU HD12 . 25793 1 369 . 1 1 33 33 LEU HD13 H 1 0.843 0.000 . . . . . A 33 LEU HD13 . 25793 1 370 . 1 1 33 33 LEU HD21 H 1 0.993 0.000 . . . . . A 33 LEU HD21 . 25793 1 371 . 1 1 33 33 LEU HD22 H 1 0.993 0.000 . . . . . A 33 LEU HD22 . 25793 1 372 . 1 1 33 33 LEU HD23 H 1 0.993 0.000 . . . . . A 33 LEU HD23 . 25793 1 373 . 1 1 33 33 LEU C C 13 176.490 0.000 . . . . . A 33 LEU C . 25793 1 374 . 1 1 33 33 LEU CA C 13 54.968 0.000 . . . . . A 33 LEU CA . 25793 1 375 . 1 1 33 33 LEU CB C 13 38.335 0.000 . . . . . A 33 LEU CB . 25793 1 376 . 1 1 33 33 LEU CG C 13 24.373 0.000 . . . . . A 33 LEU CG . 25793 1 377 . 1 1 33 33 LEU CD1 C 13 22.400 0.000 . . . . . A 33 LEU CD1 . 25793 1 378 . 1 1 33 33 LEU CD2 C 13 20.205 0.000 . . . . . A 33 LEU CD2 . 25793 1 379 . 1 1 33 33 LEU N N 15 121.755 0.000 . . . . . A 33 LEU N . 25793 1 380 . 1 1 34 34 ASP H H 1 8.252 0.000 . . . . . A 34 ASP H . 25793 1 381 . 1 1 34 34 ASP HA H 1 4.399 0.000 . . . . . A 34 ASP HA . 25793 1 382 . 1 1 34 34 ASP HB2 H 1 2.743 0.000 . . . . . A 34 ASP HB2 . 25793 1 383 . 1 1 34 34 ASP HB3 H 1 2.743 0.000 . . . . . A 34 ASP HB3 . 25793 1 384 . 1 1 34 34 ASP C C 13 176.196 0.000 . . . . . A 34 ASP C . 25793 1 385 . 1 1 34 34 ASP CA C 13 54.871 0.000 . . . . . A 34 ASP CA . 25793 1 386 . 1 1 34 34 ASP CB C 13 38.471 0.000 . . . . . A 34 ASP CB . 25793 1 387 . 1 1 34 34 ASP N N 15 121.771 0.000 . . . . . A 34 ASP N . 25793 1 388 . 1 1 35 35 ARG H H 1 8.197 0.000 . . . . . A 35 ARG H . 25793 1 389 . 1 1 35 35 ARG HA H 1 3.818 0.000 . . . . . A 35 ARG HA . 25793 1 390 . 1 1 35 35 ARG HB2 H 1 1.817 0.000 . . . . . A 35 ARG HB2 . 25793 1 391 . 1 1 35 35 ARG HB3 H 1 1.398 0.000 . . . . . A 35 ARG HB3 . 25793 1 392 . 1 1 35 35 ARG C C 13 175.752 0.000 . . . . . A 35 ARG C . 25793 1 393 . 1 1 35 35 ARG CA C 13 57.302 0.000 . . . . . A 35 ARG CA . 25793 1 394 . 1 1 35 35 ARG CB C 13 27.486 0.000 . . . . . A 35 ARG CB . 25793 1 395 . 1 1 35 35 ARG CG C 13 26.001 0.000 . . . . . A 35 ARG CG . 25793 1 396 . 1 1 35 35 ARG CD C 13 40.232 0.000 . . . . . A 35 ARG CD . 25793 1 397 . 1 1 35 35 ARG N N 15 119.119 0.000 . . . . . A 35 ARG N . 25793 1 398 . 1 1 36 36 LEU H H 1 7.735 0.000 . . . . . A 36 LEU H . 25793 1 399 . 1 1 36 36 LEU HA H 1 3.872 0.000 . . . . . A 36 LEU HA . 25793 1 400 . 1 1 36 36 LEU HB2 H 1 2.074 0.000 . . . . . A 36 LEU HB2 . 25793 1 401 . 1 1 36 36 LEU HB3 H 1 1.233 0.000 . . . . . A 36 LEU HB3 . 25793 1 402 . 1 1 36 36 LEU HG H 1 1.417 0.000 . . . . . A 36 LEU HG . 25793 1 403 . 1 1 36 36 LEU HD11 H 1 0.583 0.000 . . . . . A 36 LEU HD11 . 25793 1 404 . 1 1 36 36 LEU HD12 H 1 0.583 0.000 . . . . . A 36 LEU HD12 . 25793 1 405 . 1 1 36 36 LEU HD13 H 1 0.583 0.000 . . . . . A 36 LEU HD13 . 25793 1 406 . 1 1 36 36 LEU HD21 H 1 -0.046 0.000 . . . . . A 36 LEU HD21 . 25793 1 407 . 1 1 36 36 LEU HD22 H 1 -0.046 0.000 . . . . . A 36 LEU HD22 . 25793 1 408 . 1 1 36 36 LEU HD23 H 1 -0.046 0.000 . . . . . A 36 LEU HD23 . 25793 1 409 . 1 1 36 36 LEU C C 13 177.676 0.000 . . . . . A 36 LEU C . 25793 1 410 . 1 1 36 36 LEU CA C 13 55.818 0.000 . . . . . A 36 LEU CA . 25793 1 411 . 1 1 36 36 LEU CB C 13 40.156 0.000 . . . . . A 36 LEU CB . 25793 1 412 . 1 1 36 36 LEU CG C 13 23.240 0.000 . . . . . A 36 LEU CG . 25793 1 413 . 1 1 36 36 LEU CD1 C 13 23.900 0.000 . . . . . A 36 LEU CD1 . 25793 1 414 . 1 1 36 36 LEU CD2 C 13 21.510 0.000 . . . . . A 36 LEU CD2 . 25793 1 415 . 1 1 36 36 LEU N N 15 120.940 0.000 . . . . . A 36 LEU N . 25793 1 416 . 1 1 37 37 ARG H H 1 8.006 0.000 . . . . . A 37 ARG H . 25793 1 417 . 1 1 37 37 ARG HA H 1 4.241 0.000 . . . . . A 37 ARG HA . 25793 1 418 . 1 1 37 37 ARG HB2 H 1 2.025 0.000 . . . . . A 37 ARG HB2 . 25793 1 419 . 1 1 37 37 ARG HB3 H 1 1.979 0.000 . . . . . A 37 ARG HB3 . 25793 1 420 . 1 1 37 37 ARG C C 13 174.571 0.000 . . . . . A 37 ARG C . 25793 1 421 . 1 1 37 37 ARG CA C 13 56.891 0.000 . . . . . A 37 ARG CA . 25793 1 422 . 1 1 37 37 ARG CB C 13 27.936 0.000 . . . . . A 37 ARG CB . 25793 1 423 . 1 1 37 37 ARG CG C 13 25.049 0.000 . . . . . A 37 ARG CG . 25793 1 424 . 1 1 37 37 ARG CD C 13 40.820 0.000 . . . . . A 37 ARG CD . 25793 1 425 . 1 1 37 37 ARG N N 15 120.596 0.000 . . . . . A 37 ARG N . 25793 1 426 . 1 1 38 38 ARG H H 1 8.307 0.000 . . . . . A 38 ARG H . 25793 1 427 . 1 1 38 38 ARG HA H 1 3.987 0.000 . . . . . A 38 ARG HA . 25793 1 428 . 1 1 38 38 ARG HB2 H 1 1.868 0.000 . . . . . A 38 ARG HB2 . 25793 1 429 . 1 1 38 38 ARG HB3 H 1 1.870 0.000 . . . . . A 38 ARG HB3 . 25793 1 430 . 1 1 38 38 ARG C C 13 177.290 0.000 . . . . . A 38 ARG C . 25793 1 431 . 1 1 38 38 ARG CA C 13 57.131 0.000 . . . . . A 38 ARG CA . 25793 1 432 . 1 1 38 38 ARG CB C 13 27.450 0.000 . . . . . A 38 ARG CB . 25793 1 433 . 1 1 38 38 ARG CG C 13 25.102 0.000 . . . . . A 38 ARG CG . 25793 1 434 . 1 1 38 38 ARG CD C 13 40.873 0.000 . . . . . A 38 ARG CD . 25793 1 435 . 1 1 38 38 ARG N N 15 121.436 0.000 . . . . . A 38 ARG N . 25793 1 436 . 1 1 39 39 ASP H H 1 8.737 0.000 . . . . . A 39 ASP H . 25793 1 437 . 1 1 39 39 ASP HA H 1 4.529 0.000 . . . . . A 39 ASP HA . 25793 1 438 . 1 1 39 39 ASP HB2 H 1 2.908 0.000 . . . . . A 39 ASP HB2 . 25793 1 439 . 1 1 39 39 ASP HB3 H 1 2.805 0.000 . . . . . A 39 ASP HB3 . 25793 1 440 . 1 1 39 39 ASP C C 13 174.864 0.000 . . . . . A 39 ASP C . 25793 1 441 . 1 1 39 39 ASP CA C 13 53.700 0.000 . . . . . A 39 ASP CA . 25793 1 442 . 1 1 39 39 ASP CB C 13 37.158 0.000 . . . . . A 39 ASP CB . 25793 1 443 . 1 1 39 39 ASP N N 15 120.034 0.000 . . . . . A 39 ASP N . 25793 1 444 . 1 1 40 40 GLN H H 1 7.954 0.000 . . . . . A 40 GLN H . 25793 1 445 . 1 1 40 40 GLN HA H 1 2.999 0.000 . . . . . A 40 GLN HA . 25793 1 446 . 1 1 40 40 GLN HB2 H 1 2.292 0.000 . . . . . A 40 GLN HB2 . 25793 1 447 . 1 1 40 40 GLN HB3 H 1 2.169 0.000 . . . . . A 40 GLN HB3 . 25793 1 448 . 1 1 40 40 GLN HG2 H 1 1.875 0.000 . . . . . A 40 GLN HG2 . 25793 1 449 . 1 1 40 40 GLN HG3 H 1 1.643 0.000 . . . . . A 40 GLN HG3 . 25793 1 450 . 1 1 40 40 GLN C C 13 175.010 0.000 . . . . . A 40 GLN C . 25793 1 451 . 1 1 40 40 GLN CA C 13 56.747 0.000 . . . . . A 40 GLN CA . 25793 1 452 . 1 1 40 40 GLN CB C 13 25.196 0.000 . . . . . A 40 GLN CB . 25793 1 453 . 1 1 40 40 GLN CG C 13 30.553 0.000 . . . . . A 40 GLN CG . 25793 1 454 . 1 1 40 40 GLN N N 15 121.853 0.000 . . . . . A 40 GLN N . 25793 1 455 . 1 1 41 41 LYS H H 1 7.014 0.000 . . . . . A 41 LYS H . 25793 1 456 . 1 1 41 41 LYS HA H 1 3.914 0.000 . . . . . A 41 LYS HA . 25793 1 457 . 1 1 41 41 LYS HB2 H 1 1.939 0.000 . . . . . A 41 LYS HB2 . 25793 1 458 . 1 1 41 41 LYS HB3 H 1 1.940 0.000 . . . . . A 41 LYS HB3 . 25793 1 459 . 1 1 41 41 LYS HG2 H 1 2.925 0.000 . . . . . A 41 LYS HG2 . 25793 1 460 . 1 1 41 41 LYS HG3 H 1 2.925 0.000 . . . . . A 41 LYS HG3 . 25793 1 461 . 1 1 41 41 LYS HD2 H 1 1.554 0.000 . . . . . A 41 LYS HD2 . 25793 1 462 . 1 1 41 41 LYS HD3 H 1 1.371 0.000 . . . . . A 41 LYS HD3 . 25793 1 463 . 1 1 41 41 LYS HE2 H 1 1.660 0.000 . . . . . A 41 LYS HE2 . 25793 1 464 . 1 1 41 41 LYS HE3 H 1 1.660 0.000 . . . . . A 41 LYS HE3 . 25793 1 465 . 1 1 41 41 LYS C C 13 177.117 0.000 . . . . . A 41 LYS C . 25793 1 466 . 1 1 41 41 LYS CA C 13 56.689 0.000 . . . . . A 41 LYS CA . 25793 1 467 . 1 1 41 41 LYS CB C 13 29.446 0.000 . . . . . A 41 LYS CB . 25793 1 468 . 1 1 41 41 LYS CG C 13 39.135 0.000 . . . . . A 41 LYS CG . 25793 1 469 . 1 1 41 41 LYS CD C 13 22.404 0.000 . . . . . A 41 LYS CD . 25793 1 470 . 1 1 41 41 LYS CE C 13 26.447 0.000 . . . . . A 41 LYS CE . 25793 1 471 . 1 1 41 41 LYS N N 15 117.346 0.000 . . . . . A 41 LYS N . 25793 1 472 . 1 1 42 42 SER H H 1 7.875 0.000 . . . . . A 42 SER H . 25793 1 473 . 1 1 42 42 SER HA H 1 4.262 0.000 . . . . . A 42 SER HA . 25793 1 474 . 1 1 42 42 SER HB2 H 1 3.965 0.000 . . . . . A 42 SER HB2 . 25793 1 475 . 1 1 42 42 SER HB3 H 1 3.965 0.000 . . . . . A 42 SER HB3 . 25793 1 476 . 1 1 42 42 SER C C 13 175.262 0.000 . . . . . A 42 SER C . 25793 1 477 . 1 1 42 42 SER CA C 13 58.256 0.000 . . . . . A 42 SER CA . 25793 1 478 . 1 1 42 42 SER CB C 13 59.683 0.000 . . . . . A 42 SER CB . 25793 1 479 . 1 1 42 42 SER N N 15 115.844 0.000 . . . . . A 42 SER N . 25793 1 480 . 1 1 43 43 LEU H H 1 8.736 0.000 . . . . . A 43 LEU H . 25793 1 481 . 1 1 43 43 LEU HA H 1 4.082 0.000 . . . . . A 43 LEU HA . 25793 1 482 . 1 1 43 43 LEU HB2 H 1 1.682 0.000 . . . . . A 43 LEU HB2 . 25793 1 483 . 1 1 43 43 LEU HB3 H 1 1.179 0.000 . . . . . A 43 LEU HB3 . 25793 1 484 . 1 1 43 43 LEU HG H 1 1.671 0.000 . . . . . A 43 LEU HG . 25793 1 485 . 1 1 43 43 LEU HD11 H 1 0.473 0.000 . . . . . A 43 LEU HD11 . 25793 1 486 . 1 1 43 43 LEU HD12 H 1 0.473 0.000 . . . . . A 43 LEU HD12 . 25793 1 487 . 1 1 43 43 LEU HD13 H 1 0.473 0.000 . . . . . A 43 LEU HD13 . 25793 1 488 . 1 1 43 43 LEU HD21 H 1 0.773 0.000 . . . . . A 43 LEU HD21 . 25793 1 489 . 1 1 43 43 LEU HD22 H 1 0.773 0.000 . . . . . A 43 LEU HD22 . 25793 1 490 . 1 1 43 43 LEU HD23 H 1 0.773 0.000 . . . . . A 43 LEU HD23 . 25793 1 491 . 1 1 43 43 LEU C C 13 176.505 0.000 . . . . . A 43 LEU C . 25793 1 492 . 1 1 43 43 LEU CA C 13 55.621 0.000 . . . . . A 43 LEU CA . 25793 1 493 . 1 1 43 43 LEU CB C 13 38.460 0.000 . . . . . A 43 LEU CB . 25793 1 494 . 1 1 43 43 LEU CG C 13 24.070 0.000 . . . . . A 43 LEU CG . 25793 1 495 . 1 1 43 43 LEU CD1 C 13 22.700 0.000 . . . . . A 43 LEU CD1 . 25793 1 496 . 1 1 43 43 LEU CD2 C 13 21.000 0.000 . . . . . A 43 LEU CD2 . 25793 1 497 . 1 1 43 43 LEU N N 15 123.254 0.000 . . . . . A 43 LEU N . 25793 1 498 . 1 1 44 44 ARG H H 1 7.686 0.000 . . . . . A 44 ARG H . 25793 1 499 . 1 1 44 44 ARG HA H 1 4.011 0.000 . . . . . A 44 ARG HA . 25793 1 500 . 1 1 44 44 ARG HB2 H 1 1.852 0.000 . . . . . A 44 ARG HB2 . 25793 1 501 . 1 1 44 44 ARG C C 13 177.379 0.000 . . . . . A 44 ARG C . 25793 1 502 . 1 1 44 44 ARG CA C 13 56.911 0.000 . . . . . A 44 ARG CA . 25793 1 503 . 1 1 44 44 ARG CB C 13 26.602 0.000 . . . . . A 44 ARG CB . 25793 1 504 . 1 1 44 44 ARG CG C 13 24.942 0.000 . . . . . A 44 ARG CG . 25793 1 505 . 1 1 44 44 ARG CD C 13 40.873 0.000 . . . . . A 44 ARG CD . 25793 1 506 . 1 1 44 44 ARG N N 15 118.877 0.000 . . . . . A 44 ARG N . 25793 1 507 . 1 1 45 45 GLY H H 1 7.762 0.000 . . . . . A 45 GLY H . 25793 1 508 . 1 1 45 45 GLY HA2 H 1 3.850 0.000 . . . . . A 45 GLY HA2 . 25793 1 509 . 1 1 45 45 GLY HA3 H 1 3.940 0.000 . . . . . A 45 GLY HA3 . 25793 1 510 . 1 1 45 45 GLY C C 13 173.935 0.000 . . . . . A 45 GLY C . 25793 1 511 . 1 1 45 45 GLY CA C 13 44.395 0.000 . . . . . A 45 GLY CA . 25793 1 512 . 1 1 45 45 GLY N N 15 107.372 0.000 . . . . . A 45 GLY N . 25793 1 513 . 1 1 46 46 ARG H H 1 8.381 0.000 . . . . . A 46 ARG H . 25793 1 514 . 1 1 46 46 ARG HA H 1 3.902 0.000 . . . . . A 46 ARG HA . 25793 1 515 . 1 1 46 46 ARG HB2 H 1 1.833 0.000 . . . . . A 46 ARG HB2 . 25793 1 516 . 1 1 46 46 ARG C C 13 175.910 0.000 . . . . . A 46 ARG C . 25793 1 517 . 1 1 46 46 ARG CA C 13 56.375 0.000 . . . . . A 46 ARG CA . 25793 1 518 . 1 1 46 46 ARG CB C 13 28.851 0.000 . . . . . A 46 ARG CB . 25793 1 519 . 1 1 46 46 ARG CG C 13 23.672 0.000 . . . . . A 46 ARG CG . 25793 1 520 . 1 1 46 46 ARG N N 15 123.780 0.000 . . . . . A 46 ARG N . 25793 1 521 . 1 1 47 47 GLY H H 1 8.782 0.000 . . . . . A 47 GLY H . 25793 1 522 . 1 1 47 47 GLY HA2 H 1 3.680 0.000 . . . . . A 47 GLY HA2 . 25793 1 523 . 1 1 47 47 GLY HA3 H 1 3.045 0.000 . . . . . A 47 GLY HA3 . 25793 1 524 . 1 1 47 47 GLY C C 13 173.406 0.000 . . . . . A 47 GLY C . 25793 1 525 . 1 1 47 47 GLY CA C 13 45.429 0.000 . . . . . A 47 GLY CA . 25793 1 526 . 1 1 47 47 GLY N N 15 107.330 0.000 . . . . . A 47 GLY N . 25793 1 527 . 1 1 48 48 SER H H 1 7.737 0.000 . . . . . A 48 SER H . 25793 1 528 . 1 1 48 48 SER HA H 1 4.200 0.000 . . . . . A 48 SER HA . 25793 1 529 . 1 1 48 48 SER HB2 H 1 3.972 0.000 . . . . . A 48 SER HB2 . 25793 1 530 . 1 1 48 48 SER HB3 H 1 3.972 0.000 . . . . . A 48 SER HB3 . 25793 1 531 . 1 1 48 48 SER C C 13 174.824 0.000 . . . . . A 48 SER C . 25793 1 532 . 1 1 48 48 SER CA C 13 58.531 0.000 . . . . . A 48 SER CA . 25793 1 533 . 1 1 48 48 SER CB C 13 59.837 0.000 . . . . . A 48 SER CB . 25793 1 534 . 1 1 48 48 SER N N 15 116.214 0.000 . . . . . A 48 SER N . 25793 1 535 . 1 1 49 49 THR H H 1 7.784 0.000 . . . . . A 49 THR H . 25793 1 536 . 1 1 49 49 THR HA H 1 3.885 0.000 . . . . . A 49 THR HA . 25793 1 537 . 1 1 49 49 THR HB H 1 4.125 0.000 . . . . . A 49 THR HB . 25793 1 538 . 1 1 49 49 THR HG21 H 1 1.137 0.000 . . . . . A 49 THR HG21 . 25793 1 539 . 1 1 49 49 THR HG22 H 1 1.137 0.000 . . . . . A 49 THR HG22 . 25793 1 540 . 1 1 49 49 THR HG23 H 1 1.137 0.000 . . . . . A 49 THR HG23 . 25793 1 541 . 1 1 49 49 THR C C 13 173.322 0.000 . . . . . A 49 THR C . 25793 1 542 . 1 1 49 49 THR CA C 13 63.385 0.000 . . . . . A 49 THR CA . 25793 1 543 . 1 1 49 49 THR CB C 13 65.997 0.000 . . . . . A 49 THR CB . 25793 1 544 . 1 1 49 49 THR CG2 C 13 18.931 0.000 . . . . . A 49 THR CG2 . 25793 1 545 . 1 1 49 49 THR N N 15 118.158 0.000 . . . . . A 49 THR N . 25793 1 546 . 1 1 50 50 LEU H H 1 7.734 0.000 . . . . . A 50 LEU H . 25793 1 547 . 1 1 50 50 LEU HA H 1 4.050 0.000 . . . . . A 50 LEU HA . 25793 1 548 . 1 1 50 50 LEU HB2 H 1 1.228 0.000 . . . . . A 50 LEU HB2 . 25793 1 549 . 1 1 50 50 LEU HB3 H 1 1.228 0.000 . . . . . A 50 LEU HB3 . 25793 1 550 . 1 1 50 50 LEU HG H 1 1.540 0.000 . . . . . A 50 LEU HG . 25793 1 551 . 1 1 50 50 LEU HD11 H 1 0.235 0.000 . . . . . A 50 LEU HD11 . 25793 1 552 . 1 1 50 50 LEU HD12 H 1 0.235 0.000 . . . . . A 50 LEU HD12 . 25793 1 553 . 1 1 50 50 LEU HD13 H 1 0.235 0.000 . . . . . A 50 LEU HD13 . 25793 1 554 . 1 1 50 50 LEU HD21 H 1 0.665 0.000 . . . . . A 50 LEU HD21 . 25793 1 555 . 1 1 50 50 LEU HD22 H 1 0.665 0.000 . . . . . A 50 LEU HD22 . 25793 1 556 . 1 1 50 50 LEU HD23 H 1 0.665 0.000 . . . . . A 50 LEU HD23 . 25793 1 557 . 1 1 50 50 LEU C C 13 174.153 0.000 . . . . . A 50 LEU C . 25793 1 558 . 1 1 50 50 LEU CA C 13 52.580 0.000 . . . . . A 50 LEU CA . 25793 1 559 . 1 1 50 50 LEU CB C 13 39.994 0.000 . . . . . A 50 LEU CB . 25793 1 560 . 1 1 50 50 LEU CG C 13 23.600 0.000 . . . . . A 50 LEU CG . 25793 1 561 . 1 1 50 50 LEU CD1 C 13 22.700 0.000 . . . . . A 50 LEU CD1 . 25793 1 562 . 1 1 50 50 LEU CD2 C 13 19.630 0.000 . . . . . A 50 LEU CD2 . 25793 1 563 . 1 1 50 50 LEU N N 15 118.727 0.000 . . . . . A 50 LEU N . 25793 1 564 . 1 1 51 51 GLY H H 1 7.698 0.000 . . . . . A 51 GLY H . 25793 1 565 . 1 1 51 51 GLY HA2 H 1 3.856 0.000 . . . . . A 51 GLY HA2 . 25793 1 566 . 1 1 51 51 GLY HA3 H 1 3.772 0.000 . . . . . A 51 GLY HA3 . 25793 1 567 . 1 1 51 51 GLY C C 13 171.597 0.000 . . . . . A 51 GLY C . 25793 1 568 . 1 1 51 51 GLY CA C 13 43.400 0.000 . . . . . A 51 GLY CA . 25793 1 569 . 1 1 51 51 GLY N N 15 108.894 0.000 . . . . . A 51 GLY N . 25793 1 570 . 1 1 52 52 LEU H H 1 7.661 0.000 . . . . . A 52 LEU H . 25793 1 571 . 1 1 52 52 LEU HA H 1 4.638 0.000 . . . . . A 52 LEU HA . 25793 1 572 . 1 1 52 52 LEU HB2 H 1 1.532 0.000 . . . . . A 52 LEU HB2 . 25793 1 573 . 1 1 52 52 LEU HB3 H 1 1.234 0.000 . . . . . A 52 LEU HB3 . 25793 1 574 . 1 1 52 52 LEU HG H 1 1.390 0.000 . . . . . A 52 LEU HG . 25793 1 575 . 1 1 52 52 LEU HD11 H 1 0.840 0.000 . . . . . A 52 LEU HD11 . 25793 1 576 . 1 1 52 52 LEU HD12 H 1 0.840 0.000 . . . . . A 52 LEU HD12 . 25793 1 577 . 1 1 52 52 LEU HD13 H 1 0.840 0.000 . . . . . A 52 LEU HD13 . 25793 1 578 . 1 1 52 52 LEU HD21 H 1 0.870 0.000 . . . . . A 52 LEU HD21 . 25793 1 579 . 1 1 52 52 LEU HD22 H 1 0.870 0.000 . . . . . A 52 LEU HD22 . 25793 1 580 . 1 1 52 52 LEU HD23 H 1 0.870 0.000 . . . . . A 52 LEU HD23 . 25793 1 581 . 1 1 52 52 LEU C C 13 172.244 0.000 . . . . . A 52 LEU C . 25793 1 582 . 1 1 52 52 LEU CA C 13 50.261 0.000 . . . . . A 52 LEU CA . 25793 1 583 . 1 1 52 52 LEU CB C 13 42.411 0.000 . . . . . A 52 LEU CB . 25793 1 584 . 1 1 52 52 LEU CG C 13 23.800 0.000 . . . . . A 52 LEU CG . 25793 1 585 . 1 1 52 52 LEU CD1 C 13 23.820 0.000 . . . . . A 52 LEU CD1 . 25793 1 586 . 1 1 52 52 LEU CD2 C 13 20.315 0.000 . . . . . A 52 LEU CD2 . 25793 1 587 . 1 1 52 52 LEU N N 15 119.252 0.000 . . . . . A 52 LEU N . 25793 1 588 . 1 1 53 53 ASP H H 1 8.127 0.000 . . . . . A 53 ASP H . 25793 1 589 . 1 1 53 53 ASP HA H 1 4.658 0.000 . . . . . A 53 ASP HA . 25793 1 590 . 1 1 53 53 ASP HB2 H 1 2.792 0.000 . . . . . A 53 ASP HB2 . 25793 1 591 . 1 1 53 53 ASP HB3 H 1 2.607 0.000 . . . . . A 53 ASP HB3 . 25793 1 592 . 1 1 53 53 ASP C C 13 174.204 0.000 . . . . . A 53 ASP C . 25793 1 593 . 1 1 53 53 ASP CA C 13 50.435 0.000 . . . . . A 53 ASP CA . 25793 1 594 . 1 1 53 53 ASP CB C 13 40.206 0.000 . . . . . A 53 ASP CB . 25793 1 595 . 1 1 53 53 ASP N N 15 121.433 0.000 . . . . . A 53 ASP N . 25793 1 596 . 1 1 54 54 ILE H H 1 8.788 0.000 . . . . . A 54 ILE H . 25793 1 597 . 1 1 54 54 ILE HA H 1 3.797 0.000 . . . . . A 54 ILE HA . 25793 1 598 . 1 1 54 54 ILE HB H 1 1.814 0.000 . . . . . A 54 ILE HB . 25793 1 599 . 1 1 54 54 ILE HG12 H 1 1.308 0.000 . . . . . A 54 ILE HG12 . 25793 1 600 . 1 1 54 54 ILE HG13 H 1 1.739 0.000 . . . . . A 54 ILE HG13 . 25793 1 601 . 1 1 54 54 ILE HG21 H 1 0.754 0.000 . . . . . A 54 ILE HG21 . 25793 1 602 . 1 1 54 54 ILE HG22 H 1 0.754 0.000 . . . . . A 54 ILE HG22 . 25793 1 603 . 1 1 54 54 ILE HG23 H 1 0.754 0.000 . . . . . A 54 ILE HG23 . 25793 1 604 . 1 1 54 54 ILE HD11 H 1 0.795 0.000 . . . . . A 54 ILE HD11 . 25793 1 605 . 1 1 54 54 ILE HD12 H 1 0.795 0.000 . . . . . A 54 ILE HD12 . 25793 1 606 . 1 1 54 54 ILE HD13 H 1 0.795 0.000 . . . . . A 54 ILE HD13 . 25793 1 607 . 1 1 54 54 ILE C C 13 176.613 0.000 . . . . . A 54 ILE C . 25793 1 608 . 1 1 54 54 ILE CA C 13 62.133 0.000 . . . . . A 54 ILE CA . 25793 1 609 . 1 1 54 54 ILE CB C 13 35.036 0.000 . . . . . A 54 ILE CB . 25793 1 610 . 1 1 54 54 ILE CG1 C 13 27.133 0.000 . . . . . A 54 ILE CG1 . 25793 1 611 . 1 1 54 54 ILE CG2 C 13 14.318 0.000 . . . . . A 54 ILE CG2 . 25793 1 612 . 1 1 54 54 ILE CD1 C 13 10.156 0.000 . . . . . A 54 ILE CD1 . 25793 1 613 . 1 1 54 54 ILE N N 15 125.804 0.000 . . . . . A 54 ILE N . 25793 1 614 . 1 1 55 55 GLU H H 1 8.945 0.000 . . . . . A 55 GLU H . 25793 1 615 . 1 1 55 55 GLU HA H 1 4.009 0.000 . . . . . A 55 GLU HA . 25793 1 616 . 1 1 55 55 GLU HB2 H 1 2.160 0.000 . . . . . A 55 GLU HB2 . 25793 1 617 . 1 1 55 55 GLU HB3 H 1 2.053 0.000 . . . . . A 55 GLU HB3 . 25793 1 618 . 1 1 55 55 GLU HG2 H 1 2.273 0.000 . . . . . A 55 GLU HG2 . 25793 1 619 . 1 1 55 55 GLU HG3 H 1 2.273 0.000 . . . . . A 55 GLU HG3 . 25793 1 620 . 1 1 55 55 GLU C C 13 176.730 0.000 . . . . . A 55 GLU C . 25793 1 621 . 1 1 55 55 GLU CA C 13 57.998 0.000 . . . . . A 55 GLU CA . 25793 1 622 . 1 1 55 55 GLU CB C 13 25.895 0.000 . . . . . A 55 GLU CB . 25793 1 623 . 1 1 55 55 GLU CG C 13 33.600 0.000 . . . . . A 55 GLU CG . 25793 1 624 . 1 1 55 55 GLU N N 15 125.797 0.000 . . . . . A 55 GLU N . 25793 1 625 . 1 1 56 56 THR H H 1 8.240 0.000 . . . . . A 56 THR H . 25793 1 626 . 1 1 56 56 THR HA H 1 3.817 0.000 . . . . . A 56 THR HA . 25793 1 627 . 1 1 56 56 THR HB H 1 4.214 0.000 . . . . . A 56 THR HB . 25793 1 628 . 1 1 56 56 THR HG21 H 1 1.240 0.000 . . . . . A 56 THR HG21 . 25793 1 629 . 1 1 56 56 THR HG22 H 1 1.240 0.000 . . . . . A 56 THR HG22 . 25793 1 630 . 1 1 56 56 THR HG23 H 1 1.240 0.000 . . . . . A 56 THR HG23 . 25793 1 631 . 1 1 56 56 THR C C 13 174.617 0.000 . . . . . A 56 THR C . 25793 1 632 . 1 1 56 56 THR CA C 13 63.766 0.000 . . . . . A 56 THR CA . 25793 1 633 . 1 1 56 56 THR CB C 13 65.452 0.000 . . . . . A 56 THR CB . 25793 1 634 . 1 1 56 56 THR CG2 C 13 18.900 0.000 . . . . . A 56 THR CG2 . 25793 1 635 . 1 1 56 56 THR N N 15 117.286 0.000 . . . . . A 56 THR N . 25793 1 636 . 1 1 57 57 ALA H H 1 8.121 0.000 . . . . . A 57 ALA H . 25793 1 637 . 1 1 57 57 ALA HA H 1 4.230 0.000 . . . . . A 57 ALA HA . 25793 1 638 . 1 1 57 57 ALA HB1 H 1 1.490 0.000 . . . . . A 57 ALA HB1 . 25793 1 639 . 1 1 57 57 ALA HB2 H 1 1.490 0.000 . . . . . A 57 ALA HB2 . 25793 1 640 . 1 1 57 57 ALA HB3 H 1 1.490 0.000 . . . . . A 57 ALA HB3 . 25793 1 641 . 1 1 57 57 ALA C C 13 176.346 0.000 . . . . . A 57 ALA C . 25793 1 642 . 1 1 57 57 ALA CA C 13 52.650 0.000 . . . . . A 57 ALA CA . 25793 1 643 . 1 1 57 57 ALA CB C 13 17.400 0.000 . . . . . A 57 ALA CB . 25793 1 644 . 1 1 57 57 ALA N N 15 125.072 0.000 . . . . . A 57 ALA N . 25793 1 645 . 1 1 58 58 THR H H 1 8.381 0.000 . . . . . A 58 THR H . 25793 1 646 . 1 1 58 58 THR HA H 1 3.632 0.000 . . . . . A 58 THR HA . 25793 1 647 . 1 1 58 58 THR HB H 1 4.410 0.000 . . . . . A 58 THR HB . 25793 1 648 . 1 1 58 58 THR C C 13 172.862 0.000 . . . . . A 58 THR C . 25793 1 649 . 1 1 58 58 THR CA C 13 65.100 0.000 . . . . . A 58 THR CA . 25793 1 650 . 1 1 58 58 THR CB C 13 66.100 0.000 . . . . . A 58 THR CB . 25793 1 651 . 1 1 58 58 THR CG2 C 13 18.315 0.000 . . . . . A 58 THR CG2 . 25793 1 652 . 1 1 58 58 THR N N 15 115.752 0.000 . . . . . A 58 THR N . 25793 1 653 . 1 1 59 59 ARG H H 1 7.245 0.000 . . . . . A 59 ARG H . 25793 1 654 . 1 1 59 59 ARG HA H 1 3.911 0.000 . . . . . A 59 ARG HA . 25793 1 655 . 1 1 59 59 ARG HB2 H 1 1.858 0.000 . . . . . A 59 ARG HB2 . 25793 1 656 . 1 1 59 59 ARG C C 13 176.099 0.000 . . . . . A 59 ARG C . 25793 1 657 . 1 1 59 59 ARG CA C 13 56.616 0.000 . . . . . A 59 ARG CA . 25793 1 658 . 1 1 59 59 ARG CB C 13 27.022 0.000 . . . . . A 59 ARG CB . 25793 1 659 . 1 1 59 59 ARG CG C 13 25.085 0.000 . . . . . A 59 ARG CG . 25793 1 660 . 1 1 59 59 ARG CD C 13 40.910 0.000 . . . . . A 59 ARG CD . 25793 1 661 . 1 1 59 59 ARG N N 15 120.537 0.000 . . . . . A 59 ARG N . 25793 1 662 . 1 1 60 60 ALA H H 1 7.489 0.000 . . . . . A 60 ALA H . 25793 1 663 . 1 1 60 60 ALA HA H 1 4.120 0.000 . . . . . A 60 ALA HA . 25793 1 664 . 1 1 60 60 ALA HB1 H 1 1.370 0.000 . . . . . A 60 ALA HB1 . 25793 1 665 . 1 1 60 60 ALA HB2 H 1 1.370 0.000 . . . . . A 60 ALA HB2 . 25793 1 666 . 1 1 60 60 ALA HB3 H 1 1.370 0.000 . . . . . A 60 ALA HB3 . 25793 1 667 . 1 1 60 60 ALA C C 13 178.745 0.000 . . . . . A 60 ALA C . 25793 1 668 . 1 1 60 60 ALA CA C 13 52.000 0.000 . . . . . A 60 ALA CA . 25793 1 669 . 1 1 60 60 ALA CB C 13 15.824 0.000 . . . . . A 60 ALA CB . 25793 1 670 . 1 1 60 60 ALA N N 15 121.996 0.000 . . . . . A 60 ALA N . 25793 1 671 . 1 1 61 61 GLY H H 1 8.721 0.000 . . . . . A 61 GLY H . 25793 1 672 . 1 1 61 61 GLY HA2 H 1 3.839 0.000 . . . . . A 61 GLY HA2 . 25793 1 673 . 1 1 61 61 GLY HA3 H 1 3.353 0.000 . . . . . A 61 GLY HA3 . 25793 1 674 . 1 1 61 61 GLY C C 13 171.515 0.000 . . . . . A 61 GLY C . 25793 1 675 . 1 1 61 61 GLY CA C 13 43.797 0.000 . . . . . A 61 GLY CA . 25793 1 676 . 1 1 61 61 GLY N N 15 108.024 0.000 . . . . . A 61 GLY N . 25793 1 677 . 1 1 62 62 LYS H H 1 7.683 0.000 . . . . . A 62 LYS H . 25793 1 678 . 1 1 62 62 LYS HA H 1 1.780 0.000 . . . . . A 62 LYS HA . 25793 1 679 . 1 1 62 62 LYS HB2 H 1 1.654 0.000 . . . . . A 62 LYS HB2 . 25793 1 680 . 1 1 62 62 LYS HB3 H 1 1.149 0.000 . . . . . A 62 LYS HB3 . 25793 1 681 . 1 1 62 62 LYS HG2 H 1 2.867 0.000 . . . . . A 62 LYS HG2 . 25793 1 682 . 1 1 62 62 LYS HG3 H 1 2.867 0.000 . . . . . A 62 LYS HG3 . 25793 1 683 . 1 1 62 62 LYS HD2 H 1 0.623 0.000 . . . . . A 62 LYS HD2 . 25793 1 684 . 1 1 62 62 LYS HD3 H 1 0.828 0.000 . . . . . A 62 LYS HD3 . 25793 1 685 . 1 1 62 62 LYS HE2 H 1 1.514 0.000 . . . . . A 62 LYS HE2 . 25793 1 686 . 1 1 62 62 LYS HE3 H 1 1.459 0.000 . . . . . A 62 LYS HE3 . 25793 1 687 . 1 1 62 62 LYS C C 13 174.612 0.000 . . . . . A 62 LYS C . 25793 1 688 . 1 1 62 62 LYS CA C 13 56.683 0.000 . . . . . A 62 LYS CA . 25793 1 689 . 1 1 62 62 LYS CB C 13 29.920 0.000 . . . . . A 62 LYS CB . 25793 1 690 . 1 1 62 62 LYS CG C 13 39.427 0.000 . . . . . A 62 LYS CG . 25793 1 691 . 1 1 62 62 LYS CD C 13 21.545 0.000 . . . . . A 62 LYS CD . 25793 1 692 . 1 1 62 62 LYS CE C 13 26.924 0.000 . . . . . A 62 LYS CE . 25793 1 693 . 1 1 62 62 LYS N N 15 123.393 0.000 . . . . . A 62 LYS N . 25793 1 694 . 1 1 63 63 GLN H H 1 6.637 0.000 . . . . . A 63 GLN H . 25793 1 695 . 1 1 63 63 GLN HA H 1 3.920 0.000 . . . . . A 63 GLN HA . 25793 1 696 . 1 1 63 63 GLN HB2 H 1 2.060 0.000 . . . . . A 63 GLN HB2 . 25793 1 697 . 1 1 63 63 GLN HB3 H 1 2.060 0.000 . . . . . A 63 GLN HB3 . 25793 1 698 . 1 1 63 63 GLN HG2 H 1 2.280 0.000 . . . . . A 63 GLN HG2 . 25793 1 699 . 1 1 63 63 GLN HG3 H 1 2.400 0.000 . . . . . A 63 GLN HG3 . 25793 1 700 . 1 1 63 63 GLN C C 13 176.294 0.000 . . . . . A 63 GLN C . 25793 1 701 . 1 1 63 63 GLN CA C 13 55.604 0.000 . . . . . A 63 GLN CA . 25793 1 702 . 1 1 63 63 GLN CB C 13 25.557 0.000 . . . . . A 63 GLN CB . 25793 1 703 . 1 1 63 63 GLN CG C 13 31.173 0.000 . . . . . A 63 GLN CG . 25793 1 704 . 1 1 63 63 GLN N N 15 114.582 0.000 . . . . . A 63 GLN N . 25793 1 705 . 1 1 64 64 ILE H H 1 7.092 0.000 . . . . . A 64 ILE H . 25793 1 706 . 1 1 64 64 ILE HA H 1 3.571 0.000 . . . . . A 64 ILE HA . 25793 1 707 . 1 1 64 64 ILE HB H 1 1.718 0.000 . . . . . A 64 ILE HB . 25793 1 708 . 1 1 64 64 ILE HG12 H 1 0.973 0.000 . . . . . A 64 ILE HG12 . 25793 1 709 . 1 1 64 64 ILE HG13 H 1 1.759 0.000 . . . . . A 64 ILE HG13 . 25793 1 710 . 1 1 64 64 ILE HG21 H 1 0.843 0.000 . . . . . A 64 ILE HG21 . 25793 1 711 . 1 1 64 64 ILE HG22 H 1 0.843 0.000 . . . . . A 64 ILE HG22 . 25793 1 712 . 1 1 64 64 ILE HG23 H 1 0.843 0.000 . . . . . A 64 ILE HG23 . 25793 1 713 . 1 1 64 64 ILE HD11 H 1 0.925 0.000 . . . . . A 64 ILE HD11 . 25793 1 714 . 1 1 64 64 ILE HD12 H 1 0.925 0.000 . . . . . A 64 ILE HD12 . 25793 1 715 . 1 1 64 64 ILE HD13 H 1 0.925 0.000 . . . . . A 64 ILE HD13 . 25793 1 716 . 1 1 64 64 ILE C C 13 175.402 0.000 . . . . . A 64 ILE C . 25793 1 717 . 1 1 64 64 ILE CA C 13 62.529 0.000 . . . . . A 64 ILE CA . 25793 1 718 . 1 1 64 64 ILE CB C 13 36.198 0.000 . . . . . A 64 ILE CB . 25793 1 719 . 1 1 64 64 ILE CG1 C 13 25.732 0.000 . . . . . A 64 ILE CG1 . 25793 1 720 . 1 1 64 64 ILE CG2 C 13 14.524 0.000 . . . . . A 64 ILE CG2 . 25793 1 721 . 1 1 64 64 ILE CD1 C 13 11.474 0.000 . . . . . A 64 ILE CD1 . 25793 1 722 . 1 1 64 64 ILE N N 15 119.051 0.000 . . . . . A 64 ILE N . 25793 1 723 . 1 1 65 65 VAL H H 1 8.103 0.000 . . . . . A 65 VAL H . 25793 1 724 . 1 1 65 65 VAL HA H 1 3.386 0.000 . . . . . A 65 VAL HA . 25793 1 725 . 1 1 65 65 VAL HB H 1 1.964 0.000 . . . . . A 65 VAL HB . 25793 1 726 . 1 1 65 65 VAL HG11 H 1 0.980 0.000 . . . . . A 65 VAL HG11 . 25793 1 727 . 1 1 65 65 VAL HG12 H 1 0.980 0.000 . . . . . A 65 VAL HG12 . 25793 1 728 . 1 1 65 65 VAL HG13 H 1 0.980 0.000 . . . . . A 65 VAL HG13 . 25793 1 729 . 1 1 65 65 VAL HG21 H 1 0.946 0.000 . . . . . A 65 VAL HG21 . 25793 1 730 . 1 1 65 65 VAL HG22 H 1 0.946 0.000 . . . . . A 65 VAL HG22 . 25793 1 731 . 1 1 65 65 VAL HG23 H 1 0.946 0.000 . . . . . A 65 VAL HG23 . 25793 1 732 . 1 1 65 65 VAL C C 13 174.546 0.000 . . . . . A 65 VAL C . 25793 1 733 . 1 1 65 65 VAL CA C 13 64.500 0.000 . . . . . A 65 VAL CA . 25793 1 734 . 1 1 65 65 VAL CB C 13 28.300 0.000 . . . . . A 65 VAL CB . 25793 1 735 . 1 1 65 65 VAL CG1 C 13 21.900 0.000 . . . . . A 65 VAL CG1 . 25793 1 736 . 1 1 65 65 VAL CG2 C 13 18.460 0.000 . . . . . A 65 VAL CG2 . 25793 1 737 . 1 1 65 65 VAL N N 15 118.800 0.000 . . . . . A 65 VAL N . 25793 1 738 . 1 1 66 66 GLU H H 1 8.654 0.000 . . . . . A 66 GLU H . 25793 1 739 . 1 1 66 66 GLU HA H 1 3.810 0.000 . . . . . A 66 GLU HA . 25793 1 740 . 1 1 66 66 GLU HB2 H 1 2.019 0.000 . . . . . A 66 GLU HB2 . 25793 1 741 . 1 1 66 66 GLU HB3 H 1 1.832 0.000 . . . . . A 66 GLU HB3 . 25793 1 742 . 1 1 66 66 GLU HG2 H 1 2.364 0.000 . . . . . A 66 GLU HG2 . 25793 1 743 . 1 1 66 66 GLU HG3 H 1 2.064 0.000 . . . . . A 66 GLU HG3 . 25793 1 744 . 1 1 66 66 GLU C C 13 176.292 0.000 . . . . . A 66 GLU C . 25793 1 745 . 1 1 66 66 GLU CA C 13 57.618 0.000 . . . . . A 66 GLU CA . 25793 1 746 . 1 1 66 66 GLU CB C 13 26.391 0.000 . . . . . A 66 GLU CB . 25793 1 747 . 1 1 66 66 GLU CG C 13 34.591 0.000 . . . . . A 66 GLU CG . 25793 1 748 . 1 1 66 66 GLU N N 15 118.966 0.000 . . . . . A 66 GLU N . 25793 1 749 . 1 1 67 67 ARG H H 1 7.270 0.000 . . . . . A 67 ARG H . 25793 1 750 . 1 1 67 67 ARG HA H 1 3.990 0.000 . . . . . A 67 ARG HA . 25793 1 751 . 1 1 67 67 ARG HB2 H 1 1.991 0.000 . . . . . A 67 ARG HB2 . 25793 1 752 . 1 1 67 67 ARG HB3 H 1 1.873 0.000 . . . . . A 67 ARG HB3 . 25793 1 753 . 1 1 67 67 ARG C C 13 176.039 0.000 . . . . . A 67 ARG C . 25793 1 754 . 1 1 67 67 ARG CA C 13 56.996 0.000 . . . . . A 67 ARG CA . 25793 1 755 . 1 1 67 67 ARG CB C 13 26.783 0.000 . . . . . A 67 ARG CB . 25793 1 756 . 1 1 67 67 ARG CG C 13 24.690 0.000 . . . . . A 67 ARG CG . 25793 1 757 . 1 1 67 67 ARG CD C 13 40.910 0.000 . . . . . A 67 ARG CD . 25793 1 758 . 1 1 67 67 ARG N N 15 118.499 0.000 . . . . . A 67 ARG N . 25793 1 759 . 1 1 68 68 ILE H H 1 7.569 0.000 . . . . . A 68 ILE H . 25793 1 760 . 1 1 68 68 ILE HA H 1 3.721 0.000 . . . . . A 68 ILE HA . 25793 1 761 . 1 1 68 68 ILE HB H 1 2.010 0.000 . . . . . A 68 ILE HB . 25793 1 762 . 1 1 68 68 ILE HG12 H 1 1.075 0.000 . . . . . A 68 ILE HG12 . 25793 1 763 . 1 1 68 68 ILE HG13 H 1 1.752 0.000 . . . . . A 68 ILE HG13 . 25793 1 764 . 1 1 68 68 ILE HG21 H 1 0.824 0.000 . . . . . A 68 ILE HG21 . 25793 1 765 . 1 1 68 68 ILE HG22 H 1 0.824 0.000 . . . . . A 68 ILE HG22 . 25793 1 766 . 1 1 68 68 ILE HG23 H 1 0.824 0.000 . . . . . A 68 ILE HG23 . 25793 1 767 . 1 1 68 68 ILE HD11 H 1 0.795 0.000 . . . . . A 68 ILE HD11 . 25793 1 768 . 1 1 68 68 ILE HD12 H 1 0.795 0.000 . . . . . A 68 ILE HD12 . 25793 1 769 . 1 1 68 68 ILE HD13 H 1 0.795 0.000 . . . . . A 68 ILE HD13 . 25793 1 770 . 1 1 68 68 ILE C C 13 176.061 0.000 . . . . . A 68 ILE C . 25793 1 771 . 1 1 68 68 ILE CA C 13 61.970 0.000 . . . . . A 68 ILE CA . 25793 1 772 . 1 1 68 68 ILE CB C 13 35.254 0.000 . . . . . A 68 ILE CB . 25793 1 773 . 1 1 68 68 ILE CG1 C 13 26.474 0.000 . . . . . A 68 ILE CG1 . 25793 1 774 . 1 1 68 68 ILE CG2 C 13 14.483 0.000 . . . . . A 68 ILE CG2 . 25793 1 775 . 1 1 68 68 ILE CD1 C 13 10.980 0.000 . . . . . A 68 ILE CD1 . 25793 1 776 . 1 1 68 68 ILE N N 15 120.031 0.000 . . . . . A 68 ILE N . 25793 1 777 . 1 1 69 69 LEU H H 1 8.305 0.000 . . . . . A 69 LEU H . 25793 1 778 . 1 1 69 69 LEU HA H 1 4.127 0.000 . . . . . A 69 LEU HA . 25793 1 779 . 1 1 69 69 LEU HB2 H 1 1.822 0.000 . . . . . A 69 LEU HB2 . 25793 1 780 . 1 1 69 69 LEU HB3 H 1 1.659 0.000 . . . . . A 69 LEU HB3 . 25793 1 781 . 1 1 69 69 LEU HG H 1 1.930 0.000 . . . . . A 69 LEU HG . 25793 1 782 . 1 1 69 69 LEU HD11 H 1 0.918 0.000 . . . . . A 69 LEU HD11 . 25793 1 783 . 1 1 69 69 LEU HD12 H 1 0.918 0.000 . . . . . A 69 LEU HD12 . 25793 1 784 . 1 1 69 69 LEU HD13 H 1 0.918 0.000 . . . . . A 69 LEU HD13 . 25793 1 785 . 1 1 69 69 LEU HD21 H 1 0.980 0.000 . . . . . A 69 LEU HD21 . 25793 1 786 . 1 1 69 69 LEU HD22 H 1 0.980 0.000 . . . . . A 69 LEU HD22 . 25793 1 787 . 1 1 69 69 LEU HD23 H 1 0.980 0.000 . . . . . A 69 LEU HD23 . 25793 1 788 . 1 1 69 69 LEU C C 13 176.859 0.000 . . . . . A 69 LEU C . 25793 1 789 . 1 1 69 69 LEU CA C 13 54.525 0.000 . . . . . A 69 LEU CA . 25793 1 790 . 1 1 69 69 LEU CB C 13 38.150 0.000 . . . . . A 69 LEU CB . 25793 1 791 . 1 1 69 69 LEU CG C 13 24.537 0.000 . . . . . A 69 LEU CG . 25793 1 792 . 1 1 69 69 LEU CD1 C 13 22.800 0.000 . . . . . A 69 LEU CD1 . 25793 1 793 . 1 1 69 69 LEU CD2 C 13 20.481 0.000 . . . . . A 69 LEU CD2 . 25793 1 794 . 1 1 69 69 LEU N N 15 118.859 0.000 . . . . . A 69 LEU N . 25793 1 795 . 1 1 70 70 LYS H H 1 7.748 0.000 . . . . . A 70 LYS H . 25793 1 796 . 1 1 70 70 LYS HA H 1 4.098 0.000 . . . . . A 70 LYS HA . 25793 1 797 . 1 1 70 70 LYS HB2 H 1 1.904 0.000 . . . . . A 70 LYS HB2 . 25793 1 798 . 1 1 70 70 LYS HB3 H 1 1.900 0.000 . . . . . A 70 LYS HB3 . 25793 1 799 . 1 1 70 70 LYS HG2 H 1 2.899 0.000 . . . . . A 70 LYS HG2 . 25793 1 800 . 1 1 70 70 LYS HG3 H 1 2.899 0.000 . . . . . A 70 LYS HG3 . 25793 1 801 . 1 1 70 70 LYS HD2 H 1 1.525 0.000 . . . . . A 70 LYS HD2 . 25793 1 802 . 1 1 70 70 LYS HD3 H 1 1.451 0.000 . . . . . A 70 LYS HD3 . 25793 1 803 . 1 1 70 70 LYS HE2 H 1 1.624 0.000 . . . . . A 70 LYS HE2 . 25793 1 804 . 1 1 70 70 LYS HE3 H 1 1.624 0.000 . . . . . A 70 LYS HE3 . 25793 1 805 . 1 1 70 70 LYS C C 13 175.484 0.000 . . . . . A 70 LYS C . 25793 1 806 . 1 1 70 70 LYS CA C 13 55.580 0.000 . . . . . A 70 LYS CA . 25793 1 807 . 1 1 70 70 LYS CB C 13 29.700 0.000 . . . . . A 70 LYS CB . 25793 1 808 . 1 1 70 70 LYS CG C 13 39.173 0.000 . . . . . A 70 LYS CG . 25793 1 809 . 1 1 70 70 LYS CD C 13 22.354 0.000 . . . . . A 70 LYS CD . 25793 1 810 . 1 1 70 70 LYS CE C 13 26.240 0.000 . . . . . A 70 LYS CE . 25793 1 811 . 1 1 70 70 LYS N N 15 119.685 0.000 . . . . . A 70 LYS N . 25793 1 812 . 1 1 71 71 GLU H H 1 7.644 0.000 . . . . . A 71 GLU H . 25793 1 813 . 1 1 71 71 GLU HA H 1 4.175 0.000 . . . . . A 71 GLU HA . 25793 1 814 . 1 1 71 71 GLU HB2 H 1 2.042 0.000 . . . . . A 71 GLU HB2 . 25793 1 815 . 1 1 71 71 GLU HB3 H 1 2.100 0.000 . . . . . A 71 GLU HB3 . 25793 1 816 . 1 1 71 71 GLU HG2 H 1 2.467 0.000 . . . . . A 71 GLU HG2 . 25793 1 817 . 1 1 71 71 GLU HG3 H 1 2.254 0.000 . . . . . A 71 GLU HG3 . 25793 1 818 . 1 1 71 71 GLU C C 13 174.094 0.000 . . . . . A 71 GLU C . 25793 1 819 . 1 1 71 71 GLU CA C 13 54.411 0.000 . . . . . A 71 GLU CA . 25793 1 820 . 1 1 71 71 GLU CB C 13 27.038 0.000 . . . . . A 71 GLU CB . 25793 1 821 . 1 1 71 71 GLU CG C 13 33.602 0.000 . . . . . A 71 GLU CG . 25793 1 822 . 1 1 71 71 GLU N N 15 118.055 0.000 . . . . . A 71 GLU N . 25793 1 823 . 1 1 72 72 GLU H H 1 7.603 0.000 . . . . . A 72 GLU H . 25793 1 824 . 1 1 72 72 GLU HA H 1 4.164 0.000 . . . . . A 72 GLU HA . 25793 1 825 . 1 1 72 72 GLU HB2 H 1 1.825 0.000 . . . . . A 72 GLU HB2 . 25793 1 826 . 1 1 72 72 GLU HB3 H 1 2.115 0.000 . . . . . A 72 GLU HB3 . 25793 1 827 . 1 1 72 72 GLU HG2 H 1 2.467 0.000 . . . . . A 72 GLU HG2 . 25793 1 828 . 1 1 72 72 GLU HG3 H 1 2.276 0.000 . . . . . A 72 GLU HG3 . 25793 1 829 . 1 1 72 72 GLU C C 13 172.677 0.000 . . . . . A 72 GLU C . 25793 1 830 . 1 1 72 72 GLU CA C 13 53.047 0.000 . . . . . A 72 GLU CA . 25793 1 831 . 1 1 72 72 GLU CB C 13 25.297 0.000 . . . . . A 72 GLU CB . 25793 1 832 . 1 1 72 72 GLU CG C 13 31.500 0.000 . . . . . A 72 GLU CG . 25793 1 833 . 1 1 72 72 GLU N N 15 118.922 0.000 . . . . . A 72 GLU N . 25793 1 834 . 1 1 73 73 SER H H 1 7.694 0.000 . . . . . A 73 SER H . 25793 1 835 . 1 1 73 73 SER HA H 1 4.230 0.000 . . . . . A 73 SER HA . 25793 1 836 . 1 1 73 73 SER HB2 H 1 3.827 0.000 . . . . . A 73 SER HB2 . 25793 1 837 . 1 1 73 73 SER HB3 H 1 3.827 0.000 . . . . . A 73 SER HB3 . 25793 1 838 . 1 1 73 73 SER CA C 13 57.391 0.000 . . . . . A 73 SER CA . 25793 1 839 . 1 1 73 73 SER CB C 13 62.075 0.000 . . . . . A 73 SER CB . 25793 1 840 . 1 1 73 73 SER N N 15 122.295 0.000 . . . . . A 73 SER N . 25793 1 stop_ save_