data_18132 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18132 _Entry.Title ; THERMOSTABLE PROTEIN FROM HYPERTHERMOPHILIC VIRUS SSV-RH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-09 _Entry.Accession_date 2011-12-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Schlenker . . . 18132 2 Anupam Goel . . . 18132 3 B. Tripet . P. . 18132 4 S. Menon . . . 18132 5 C. Lawrence . M. . 18132 6 V. Copie . . . 18132 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' . 18132 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . goelGroup . 18132 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ARCHAEA . 18132 'DNA-BINDING PROTEINS' . 18132 EXTREMOPHILE . 18132 'RIBBON-HELIX-HELIX PRO DNA-BINDING PROTEINS' . 18132 'RIBBON-HELIX-HELIX PROTEINS' . 18132 'VIRAL PROTEIN' . 18132 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18132 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 171 18132 '15N chemical shifts' 69 18132 '1H chemical shifts' 335 18132 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 . . 2012-05-10 2011-12-09 update BMRB 'update entry citation' 18132 1 . . 2012-03-23 2011-12-09 original author 'original release' 18132 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4AAI 'BMRB Entry Tracking System' 18132 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18132 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22409376 _Citation.Full_citation . _Citation.Title 'Structural studies of E73 from a hyperthermophilic archaeal virus identify the "RH3" domain, an elaborated ribbon-helix-helix motif involved in DNA recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 13 _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 2899 _Citation.Page_last 2910 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Casey Schlenker . . . 18132 1 2 Anupam Goel . . . 18132 1 3 Brian Tripet . P. . 18132 1 4 Smita Menon . . . 18132 1 5 Taylor Willi . . . 18132 1 6 Mensur Dlakic . . . 18132 1 7 Mark Young . J. . 18132 1 8 'C. Martin' Lawrence . . . 18132 1 9 Valerie Copie . . . 18132 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18132 _Assembly.ID 1 _Assembly.Name 'THERMOSTABLE PROTEIN FROM HYPERTHERMOPHILIC VIRUS SSV-RH' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 17254.399 _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 'ORF E73, chain 1' 1 $ORF_E73 A . yes native no no . . . 18132 1 2 'ORF E73, chain 2' 1 $ORF_E73 B . no native no no . . . 18132 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ORF_E73 _Entity.Sf_category entity _Entity.Sf_framecode ORF_E73 _Entity.Entry_ID 18132 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ORF_E73 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVESKKIAKKKTTLAFDEDV YHTLKLVSVYLNRDMTEIIE EAVVMWLIQNKEKLPNELKP KIDEISKRFFPAK ; _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 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'DNA-binding RHH domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8627.1995 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q6TRU9_9VIRU . Q6TRU9 . . . . . . . . . . . . . . 18132 1 2 no BMRB 16177 . E73 . . . . . 100.00 80 100.00 100.00 2.31e-43 . . . . 18132 1 3 no BMRB 17069 . E73 . . . . . 100.00 80 100.00 100.00 2.31e-43 . . . . 18132 1 4 no PDB 4AAI . "Thermostable Protein From Hyperthermophilic Virus Ssv-rh" . . . . . 97.26 73 100.00 100.00 1.23e-41 . . . . 18132 1 5 no GB AAR27912 . "ORF E73 [Sulfolobus virus Ragged Hills]" . . . . . 100.00 73 100.00 100.00 3.70e-43 . . . . 18132 1 6 no REF NP_963940 . "ORF E73 [Sulfolobus virus Ragged Hills]" . . . . . 100.00 73 100.00 100.00 3.70e-43 . . . . 18132 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18132 1 2 . VAL . 18132 1 3 . GLU . 18132 1 4 . SER . 18132 1 5 . LYS . 18132 1 6 . LYS . 18132 1 7 . ILE . 18132 1 8 . ALA . 18132 1 9 . LYS . 18132 1 10 . LYS . 18132 1 11 . LYS . 18132 1 12 . THR . 18132 1 13 . THR . 18132 1 14 . LEU . 18132 1 15 . ALA . 18132 1 16 . PHE . 18132 1 17 . ASP . 18132 1 18 . GLU . 18132 1 19 . ASP . 18132 1 20 . VAL . 18132 1 21 . TYR . 18132 1 22 . HIS . 18132 1 23 . THR . 18132 1 24 . LEU . 18132 1 25 . LYS . 18132 1 26 . LEU . 18132 1 27 . VAL . 18132 1 28 . SER . 18132 1 29 . VAL . 18132 1 30 . TYR . 18132 1 31 . LEU . 18132 1 32 . ASN . 18132 1 33 . ARG . 18132 1 34 . ASP . 18132 1 35 . MET . 18132 1 36 . THR . 18132 1 37 . GLU . 18132 1 38 . ILE . 18132 1 39 . ILE . 18132 1 40 . GLU . 18132 1 41 . GLU . 18132 1 42 . ALA . 18132 1 43 . VAL . 18132 1 44 . VAL . 18132 1 45 . MET . 18132 1 46 . TRP . 18132 1 47 . LEU . 18132 1 48 . ILE . 18132 1 49 . GLN . 18132 1 50 . ASN . 18132 1 51 . LYS . 18132 1 52 . GLU . 18132 1 53 . LYS . 18132 1 54 . LEU . 18132 1 55 . PRO . 18132 1 56 . ASN . 18132 1 57 . GLU . 18132 1 58 . LEU . 18132 1 59 . LYS . 18132 1 60 . PRO . 18132 1 61 . LYS . 18132 1 62 . ILE . 18132 1 63 . ASP . 18132 1 64 . GLU . 18132 1 65 . ILE . 18132 1 66 . SER . 18132 1 67 . LYS . 18132 1 68 . ARG . 18132 1 69 . PHE . 18132 1 70 . PHE . 18132 1 71 . PRO . 18132 1 72 . ALA . 18132 1 73 . LYS . 18132 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 18132 1 . VAL 2 2 18132 1 . GLU 3 3 18132 1 . SER 4 4 18132 1 . LYS 5 5 18132 1 . LYS 6 6 18132 1 . ILE 7 7 18132 1 . ALA 8 8 18132 1 . LYS 9 9 18132 1 . LYS 10 10 18132 1 . LYS 11 11 18132 1 . THR 12 12 18132 1 . THR 13 13 18132 1 . LEU 14 14 18132 1 . ALA 15 15 18132 1 . PHE 16 16 18132 1 . ASP 17 17 18132 1 . GLU 18 18 18132 1 . ASP 19 19 18132 1 . VAL 20 20 18132 1 . TYR 21 21 18132 1 . HIS 22 22 18132 1 . THR 23 23 18132 1 . LEU 24 24 18132 1 . LYS 25 25 18132 1 . LEU 26 26 18132 1 . VAL 27 27 18132 1 . SER 28 28 18132 1 . VAL 29 29 18132 1 . TYR 30 30 18132 1 . LEU 31 31 18132 1 . ASN 32 32 18132 1 . ARG 33 33 18132 1 . ASP 34 34 18132 1 . MET 35 35 18132 1 . THR 36 36 18132 1 . GLU 37 37 18132 1 . ILE 38 38 18132 1 . ILE 39 39 18132 1 . GLU 40 40 18132 1 . GLU 41 41 18132 1 . ALA 42 42 18132 1 . VAL 43 43 18132 1 . VAL 44 44 18132 1 . MET 45 45 18132 1 . TRP 46 46 18132 1 . LEU 47 47 18132 1 . ILE 48 48 18132 1 . GLN 49 49 18132 1 . ASN 50 50 18132 1 . LYS 51 51 18132 1 . GLU 52 52 18132 1 . LYS 53 53 18132 1 . LEU 54 54 18132 1 . PRO 55 55 18132 1 . ASN 56 56 18132 1 . GLU 57 57 18132 1 . LEU 58 58 18132 1 . LYS 59 59 18132 1 . PRO 60 60 18132 1 . LYS 61 61 18132 1 . ILE 62 62 18132 1 . ASP 63 63 18132 1 . GLU 64 64 18132 1 . ILE 65 65 18132 1 . SER 66 66 18132 1 . LYS 67 67 18132 1 . ARG 68 68 18132 1 . PHE 69 69 18132 1 . PHE 70 70 18132 1 . PRO 71 71 18132 1 . ALA 72 72 18132 1 . LYS 73 73 18132 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 18132 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ORF_E73 . 256994 organism . 'SULFOLOBUS VIRUS RAGGED HILLS' 'Sulfolobus virus Ragged Hills' . . Viruses . Fusellovirus 'Sulfolobus virus Ragged Hills' . . . . . . . . . . . . . . . . . . 'ORF E73 obtained from Sulfolobus Spindle shaped virus (Ragged Hills) that attacks the Crenarchaea sulfolobus solfatarcus' . . 18132 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 18132 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ORF_E73 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . 'BL21 (DE3)' . . . . . . Pet14 . . na . . . . . . 18132 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18132 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system 'PMSF 1 MM, SODIUM AZIDE 0. 01 %, POTASSIUM PHOSPHATE 50 MM, D2O 10 %, EDTA 1 MM' _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 PMSF '[U-13C; U-15N]' . . 1 $ORF_E73 . . 1 . . mM . . . . 18132 1 2 'SODIUM AZIDE' 'natural abundance' . . . . . . 0.01 . . % . . . . 18132 1 3 'POTASSIUM PHOSPHATE' 'natural abundance' . . . . . . 50 . . mM . . . . 18132 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18132 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 18132 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [5.0], temp [312], pressure [1], ionStrength [0.05]' 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' 0.050 . mM 18132 1 pH 5.000 . pH 18132 1 pressure 1.000 . atm 18132 1 temperature 312.000 . K 18132 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18132 _Software.ID 1 _Software.Name ARIA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18132 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18132 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18132 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18132 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18132 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18132 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details 'REFINEMENT DETAILS CAN BE FOUND IN THE' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 18132 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18132 3 stop_ save_ save_energy_minimization _Method.Sf_category method _Method.Sf_framecode energy_minimization _Method.Entry_ID 18132 _Method.ID 1 _Method.Derivation_type . _Method.Details 'energy minimization' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DMX-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DMX-600 _NMR_spectrometer.Entry_ID 18132 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 18132 _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 Bruker_DMX-600 Bruker DMX . 600 . . . 18132 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 18132 _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 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 4 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 6 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 7 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 9 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_DMX-600 . . . . . . . . . . . . . . . . 18132 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18132 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_DMX-600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID 1 _NMR_spec_expt.Method_label $energy_minimization _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18132 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 6.1 internal indirect 1 . . . . . . . . . 18132 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18132 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4aai/ebi/chemical_shift.str.csh' _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 '3D HNCACB' 1 $sample_1 solution 18132 1 2 '3D CBCA(CO)NH' 1 $sample_1 solution 18132 1 3 '3D C(CO)NH' 1 $sample_1 solution 18132 1 4 '3D H(CCO)NH' 1 $sample_1 solution 18132 1 5 '3D HNCA' 1 $sample_1 solution 18132 1 6 '2D 1H-13C HSQC' 1 $sample_1 solution 18132 1 7 '3D HBHA(CO)NH' 1 $sample_1 solution 18132 1 8 '3D HCCH-TOCSY' 1 $sample_1 solution 18132 1 9 '2D 1H-15N HSQC' 1 $sample_1 solution 18132 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.343 . . 1 . 1 . . 1 MET HA . 18132 1 2 . 1 1 1 1 MET HB2 H 1 1.900 . . 1 . 2 . . 1 MET HB2 . 18132 1 3 . 1 1 1 1 MET HG2 H 1 2.364 . . 1 . 3 . . 1 MET HG2 . 18132 1 4 . 1 1 1 1 MET CA C 13 55.976 . . 1 . 4 . . 1 MET CA . 18132 1 5 . 1 1 1 1 MET CB C 13 33.446 . . 1 . 5 . . 1 MET CB . 18132 1 6 . 1 1 1 1 MET CG C 13 32.504 . . 1 . 6 . . 1 MET CG . 18132 1 7 . 1 1 2 2 VAL H H 1 8.021 . . 1 . 7 . . 2 VAL H . 18132 1 8 . 1 1 2 2 VAL HA H 1 3.975 . . 1 . 8 . . 2 VAL HA . 18132 1 9 . 1 1 2 2 VAL HB H 1 1.938 . . 1 . 9 . . 2 VAL HB . 18132 1 10 . 1 1 2 2 VAL HG11 H 1 0.803 . . 1 . 10 . . 2 VAL HG11 . 18132 1 11 . 1 1 2 2 VAL HG12 H 1 0.803 . . 1 . 10 . . 2 VAL HG12 . 18132 1 12 . 1 1 2 2 VAL HG13 H 1 0.803 . . 1 . 10 . . 2 VAL HG13 . 18132 1 13 . 1 1 2 2 VAL CA C 13 62.802 . . 1 . 11 . . 2 VAL CA . 18132 1 14 . 1 1 2 2 VAL CB C 13 33.192 . . 1 . 12 . . 2 VAL CB . 18132 1 15 . 1 1 2 2 VAL CG1 C 13 21.239 . . 1 . 13 . . 2 VAL CG1 . 18132 1 16 . 1 1 2 2 VAL CG2 C 13 21.351 . . 1 . 14 . . 2 VAL CG2 . 18132 1 17 . 1 1 2 2 VAL N N 15 121.358 . . 1 . 15 . . 2 VAL N . 18132 1 18 . 1 1 3 3 GLU H H 1 8.353 . . 1 . 16 . . 3 GLU H . 18132 1 19 . 1 1 3 3 GLU HA H 1 4.195 . . 1 . 17 . . 3 GLU HA . 18132 1 20 . 1 1 3 3 GLU HB2 H 1 1.888 . . 1 . 18 . . 3 GLU HB2 . 18132 1 21 . 1 1 3 3 GLU HG2 H 1 2.132 . . 1 . 19 . . 3 GLU HG2 . 18132 1 22 . 1 1 3 3 GLU CA C 13 56.968 . . 1 . 20 . . 3 GLU CA . 18132 1 23 . 1 1 3 3 GLU CB C 13 30.819 . . 1 . 21 . . 3 GLU CB . 18132 1 24 . 1 1 3 3 GLU CG C 13 36.677 . . 1 . 22 . . 3 GLU CG . 18132 1 25 . 1 1 3 3 GLU N N 15 124.728 . . 1 . 23 . . 3 GLU N . 18132 1 26 . 1 1 4 4 SER H H 1 8.189 . . 1 . 24 . . 4 SER H . 18132 1 27 . 1 1 4 4 SER HA H 1 4.284 . . 1 . 25 . . 4 SER HA . 18132 1 28 . 1 1 4 4 SER HB2 H 1 3.741 . . 1 . 26 . . 4 SER HB2 . 18132 1 29 . 1 1 4 4 SER HB3 H 1 3.742 . . 1 . 27 . . 4 SER HB3 . 18132 1 30 . 1 1 4 4 SER CA C 13 58.859 . . 1 . 28 . . 4 SER CA . 18132 1 31 . 1 1 4 4 SER CB C 13 64.084 . . 1 . 29 . . 4 SER CB . 18132 1 32 . 1 1 4 4 SER N N 15 117.206 . . 1 . 30 . . 4 SER N . 18132 1 33 . 1 1 5 5 LYS H H 1 8.119 . . 1 . 31 . . 5 LYS H . 18132 1 34 . 1 1 5 5 LYS HA H 1 3.986 . . 1 . 32 . . 5 LYS HA . 18132 1 35 . 1 1 5 5 LYS HB2 H 1 1.679 . . 1 . 33 . . 5 LYS HB2 . 18132 1 36 . 1 1 5 5 LYS HG2 H 1 1.307 . . 1 . 35 . . 5 LYS HG2 . 18132 1 37 . 1 1 5 5 LYS HD2 H 1 1.579 . . 1 . 34 . . 5 LYS HD2 . 18132 1 38 . 1 1 5 5 LYS CA C 13 56.674 . . 1 . 36 . . 5 LYS CA . 18132 1 39 . 1 1 5 5 LYS CB C 13 33.415 . . 1 . 37 . . 5 LYS CB . 18132 1 40 . 1 1 5 5 LYS CG C 13 25.121 . . 1 . 40 . . 5 LYS CG . 18132 1 41 . 1 1 5 5 LYS CD C 13 29.567 . . 1 . 38 . . 5 LYS CD . 18132 1 42 . 1 1 5 5 LYS CE C 13 42.519 . . 1 . 39 . . 5 LYS CE . 18132 1 43 . 1 1 5 5 LYS N N 15 122.777 . . 1 . 41 . . 5 LYS N . 18132 1 44 . 1 1 6 6 LYS H H 1 8.111 . . 1 . 42 . . 6 LYS H . 18132 1 45 . 1 1 6 6 LYS HA H 1 4.212 . . 1 . 43 . . 6 LYS HA . 18132 1 46 . 1 1 6 6 LYS HB2 H 1 1.652 . . 1 . 44 . . 6 LYS HB2 . 18132 1 47 . 1 1 6 6 LYS HB3 H 1 1.830 . . 1 . 45 . . 6 LYS HB3 . 18132 1 48 . 1 1 6 6 LYS HG2 H 1 1.567 . . 1 . 49 . . 6 LYS HG2 . 18132 1 49 . 1 1 6 6 LYS HG3 H 1 1.306 . . 1 . 50 . . 6 LYS HG3 . 18132 1 50 . 1 1 6 6 LYS HD2 H 1 1.724 . . 1 . 46 . . 6 LYS HD2 . 18132 1 51 . 1 1 6 6 LYS HD3 H 1 1.624 . . 1 . 47 . . 6 LYS HD3 . 18132 1 52 . 1 1 6 6 LYS HE2 H 1 2.863 . . 1 . 48 . . 6 LYS HE2 . 18132 1 53 . 1 1 6 6 LYS CA C 13 56.531 . . 1 . 51 . . 6 LYS CA . 18132 1 54 . 1 1 6 6 LYS CB C 13 33.430 . . 1 . 52 . . 6 LYS CB . 18132 1 55 . 1 1 6 6 LYS CG C 13 25.166 . . 1 . 55 . . 6 LYS CG . 18132 1 56 . 1 1 6 6 LYS CD C 13 29.357 . . 1 . 53 . . 6 LYS CD . 18132 1 57 . 1 1 6 6 LYS CE C 13 42.954 . . 1 . 54 . . 6 LYS CE . 18132 1 58 . 1 1 6 6 LYS N N 15 122.547 . . 1 . 56 . . 6 LYS N . 18132 1 59 . 1 1 7 7 ILE H H 1 7.975 . . 1 . 57 . . 7 ILE H . 18132 1 60 . 1 1 7 7 ILE HA H 1 4.043 . . 1 . 58 . . 7 ILE HA . 18132 1 61 . 1 1 7 7 ILE HB H 1 1.704 . . 1 . 59 . . 7 ILE HB . 18132 1 62 . 1 1 7 7 ILE HG12 H 1 1.386 . . 1 . 61 . . 7 ILE HG12 . 18132 1 63 . 1 1 7 7 ILE HG13 H 1 1.122 . . 1 . 62 . . 7 ILE HG13 . 18132 1 64 . 1 1 7 7 ILE HG21 H 1 0.933 . . 1 . 63 . . 7 ILE HG21 . 18132 1 65 . 1 1 7 7 ILE HG22 H 1 0.933 . . 1 . 63 . . 7 ILE HG22 . 18132 1 66 . 1 1 7 7 ILE HG23 H 1 0.933 . . 1 . 63 . . 7 ILE HG23 . 18132 1 67 . 1 1 7 7 ILE HD11 H 1 0.727 . . 1 . 60 . . 7 ILE HD11 . 18132 1 68 . 1 1 7 7 ILE HD12 H 1 0.727 . . 1 . 60 . . 7 ILE HD12 . 18132 1 69 . 1 1 7 7 ILE HD13 H 1 0.727 . . 1 . 60 . . 7 ILE HD13 . 18132 1 70 . 1 1 7 7 ILE CA C 13 61.045 . . 1 . 64 . . 7 ILE CA . 18132 1 71 . 1 1 7 7 ILE CB C 13 39.221 . . 1 . 65 . . 7 ILE CB . 18132 1 72 . 1 1 7 7 ILE CG2 C 13 18.148 . . 1 . 67 . . 7 ILE CG2 . 18132 1 73 . 1 1 7 7 ILE CD1 C 13 12.913 . . 1 . 66 . . 7 ILE CD1 . 18132 1 74 . 1 1 7 7 ILE N N 15 123.836 . . 1 . 68 . . 7 ILE N . 18132 1 75 . 1 1 8 8 ALA H H 1 8.442 . . 1 . 69 . . 8 ALA H . 18132 1 76 . 1 1 8 8 ALA HA H 1 4.264 . . 1 . 70 . . 8 ALA HA . 18132 1 77 . 1 1 8 8 ALA HB1 H 1 1.299 . . 1 . 71 . . 8 ALA HB1 . 18132 1 78 . 1 1 8 8 ALA HB2 H 1 1.299 . . 1 . 71 . . 8 ALA HB2 . 18132 1 79 . 1 1 8 8 ALA HB3 H 1 1.299 . . 1 . 71 . . 8 ALA HB3 . 18132 1 80 . 1 1 8 8 ALA CA C 13 52.668 . . 1 . 72 . . 8 ALA CA . 18132 1 81 . 1 1 8 8 ALA CB C 13 20.027 . . 1 . 73 . . 8 ALA CB . 18132 1 82 . 1 1 8 8 ALA N N 15 130.325 . . 1 . 74 . . 8 ALA N . 18132 1 83 . 1 1 9 9 LYS H H 1 8.068 . . 1 . 75 . . 9 LYS H . 18132 1 84 . 1 1 9 9 LYS HA H 1 4.779 . . 1 . 76 . . 9 LYS HA . 18132 1 85 . 1 1 9 9 LYS HB2 H 1 1.235 . . 1 . 77 . . 9 LYS HB2 . 18132 1 86 . 1 1 9 9 LYS HB3 H 1 1.560 . . 1 . 78 . . 9 LYS HB3 . 18132 1 87 . 1 1 9 9 LYS HG2 H 1 1.295 . . 1 . 81 . . 9 LYS HG2 . 18132 1 88 . 1 1 9 9 LYS HG3 H 1 1.059 . . 1 . 82 . . 9 LYS HG3 . 18132 1 89 . 1 1 9 9 LYS HD2 H 1 1.458 . . 1 . 79 . . 9 LYS HD2 . 18132 1 90 . 1 1 9 9 LYS HE2 H 1 2.778 . . 1 . 80 . . 9 LYS HE2 . 18132 1 91 . 1 1 9 9 LYS CA C 13 54.572 . . 1 . 83 . . 9 LYS CA . 18132 1 92 . 1 1 9 9 LYS CB C 13 35.552 . . 1 . 84 . . 9 LYS CB . 18132 1 93 . 1 1 9 9 LYS CG C 13 25.021 . . 1 . 87 . . 9 LYS CG . 18132 1 94 . 1 1 9 9 LYS CD C 13 29.479 . . 1 . 85 . . 9 LYS CD . 18132 1 95 . 1 1 9 9 LYS CE C 13 42.791 . . 1 . 86 . . 9 LYS CE . 18132 1 96 . 1 1 9 9 LYS N N 15 117.661 . . 1 . 88 . . 9 LYS N . 18132 1 97 . 1 1 10 10 LYS H H 1 9.150 . . 1 . 89 . . 10 LYS H . 18132 1 98 . 1 1 10 10 LYS HA H 1 4.327 . . 1 . 90 . . 10 LYS HA . 18132 1 99 . 1 1 10 10 LYS HB2 H 1 1.173 . . 1 . 91 . . 10 LYS HB2 . 18132 1 100 . 1 1 10 10 LYS HB3 H 1 1.289 . . 1 . 92 . . 10 LYS HB3 . 18132 1 101 . 1 1 10 10 LYS HG2 H 1 0.595 . . 1 . 97 . . 10 LYS HG2 . 18132 1 102 . 1 1 10 10 LYS HG3 H 1 0.842 . . 1 . 98 . . 10 LYS HG3 . 18132 1 103 . 1 1 10 10 LYS HD2 H 1 1.279 . . 1 . 93 . . 10 LYS HD2 . 18132 1 104 . 1 1 10 10 LYS HD3 H 1 1.165 . . 1 . 94 . . 10 LYS HD3 . 18132 1 105 . 1 1 10 10 LYS HE2 H 1 2.587 . . 1 . 95 . . 10 LYS HE2 . 18132 1 106 . 1 1 10 10 LYS HE3 H 1 2.467 . . 1 . 96 . . 10 LYS HE3 . 18132 1 107 . 1 1 10 10 LYS CA C 13 54.457 . . 1 . 99 . . 10 LYS CA . 18132 1 108 . 1 1 10 10 LYS CB C 13 34.941 . . 1 . 100 . . 10 LYS CB . 18132 1 109 . 1 1 10 10 LYS CG C 13 24.337 . . 1 . 103 . . 10 LYS CG . 18132 1 110 . 1 1 10 10 LYS CD C 13 28.606 . . 1 . 101 . . 10 LYS CD . 18132 1 111 . 1 1 10 10 LYS CE C 13 42.348 . . 1 . 102 . . 10 LYS CE . 18132 1 112 . 1 1 10 10 LYS N N 15 123.396 . . 1 . 104 . . 10 LYS N . 18132 1 113 . 1 1 11 11 LYS H H 1 8.381 . . 1 . 105 . . 11 LYS H . 18132 1 114 . 1 1 11 11 LYS HA H 1 4.771 . . 1 . 106 . . 11 LYS HA . 18132 1 115 . 1 1 11 11 LYS HB2 H 1 1.535 . . 1 . 107 . . 11 LYS HB2 . 18132 1 116 . 1 1 11 11 LYS HB3 H 1 1.454 . . 1 . 108 . . 11 LYS HB3 . 18132 1 117 . 1 1 11 11 LYS HG2 H 1 1.091 . . 1 . 112 . . 11 LYS HG2 . 18132 1 118 . 1 1 11 11 LYS HD2 H 1 1.238 . . 1 . 109 . . 11 LYS HD2 . 18132 1 119 . 1 1 11 11 LYS HD3 H 1 1.261 . . 1 . 110 . . 11 LYS HD3 . 18132 1 120 . 1 1 11 11 LYS HE2 H 1 2.764 . . 1 . 111 . . 11 LYS HE2 . 18132 1 121 . 1 1 11 11 LYS CA C 13 56.473 . . 1 . 113 . . 11 LYS CA . 18132 1 122 . 1 1 11 11 LYS CB C 13 33.807 . . 1 . 114 . . 11 LYS CB . 18132 1 123 . 1 1 11 11 LYS CG C 13 25.675 . . 1 . 117 . . 11 LYS CG . 18132 1 124 . 1 1 11 11 LYS CD C 13 29.303 . . 1 . 115 . . 11 LYS CD . 18132 1 125 . 1 1 11 11 LYS CE C 13 42.319 . . 1 . 116 . . 11 LYS CE . 18132 1 126 . 1 1 11 11 LYS N N 15 125.807 . . 1 . 118 . . 11 LYS N . 18132 1 127 . 1 1 12 12 THR H H 1 8.716 . . 1 . 119 . . 12 THR H . 18132 1 128 . 1 1 12 12 THR HA H 1 4.491 . . 1 . 120 . . 12 THR HA . 18132 1 129 . 1 1 12 12 THR HB H 1 3.760 . . 1 . 121 . . 12 THR HB . 18132 1 130 . 1 1 12 12 THR HG21 H 1 0.976 . . 1 . 122 . . 12 THR HG21 . 18132 1 131 . 1 1 12 12 THR HG22 H 1 0.976 . . 1 . 122 . . 12 THR HG22 . 18132 1 132 . 1 1 12 12 THR HG23 H 1 0.976 . . 1 . 122 . . 12 THR HG23 . 18132 1 133 . 1 1 12 12 THR CA C 13 61.408 . . 1 . 123 . . 12 THR CA . 18132 1 134 . 1 1 12 12 THR CB C 13 70.848 . . 1 . 124 . . 12 THR CB . 18132 1 135 . 1 1 12 12 THR N N 15 119.245 . . 1 . 125 . . 12 THR N . 18132 1 136 . 1 1 13 13 THR H H 1 8.187 . . 1 . 126 . . 13 THR H . 18132 1 137 . 1 1 13 13 THR HA H 1 4.912 . . 1 . 127 . . 13 THR HA . 18132 1 138 . 1 1 13 13 THR HB H 1 3.784 . . 1 . 128 . . 13 THR HB . 18132 1 139 . 1 1 13 13 THR HG21 H 1 0.937 . . 1 . 129 . . 13 THR HG21 . 18132 1 140 . 1 1 13 13 THR HG22 H 1 0.937 . . 1 . 129 . . 13 THR HG22 . 18132 1 141 . 1 1 13 13 THR HG23 H 1 0.937 . . 1 . 129 . . 13 THR HG23 . 18132 1 142 . 1 1 13 13 THR CA C 13 62.590 . . 1 . 130 . . 13 THR CA . 18132 1 143 . 1 1 13 13 THR CB C 13 70.610 . . 1 . 131 . . 13 THR CB . 18132 1 144 . 1 1 13 13 THR CG2 C 13 22.172 . . 1 . 132 . . 13 THR CG2 . 18132 1 145 . 1 1 13 13 THR N N 15 122.630 . . 1 . 133 . . 13 THR N . 18132 1 146 . 1 1 14 14 LEU H H 1 8.707 . . 1 . 134 . . 14 LEU H . 18132 1 147 . 1 1 14 14 LEU HA H 1 4.429 . . 1 . 135 . . 14 LEU HA . 18132 1 148 . 1 1 14 14 LEU HB2 H 1 1.230 . . 1 . 136 . . 14 LEU HB2 . 18132 1 149 . 1 1 14 14 LEU HB3 H 1 1.284 . . 1 . 137 . . 14 LEU HB3 . 18132 1 150 . 1 1 14 14 LEU HG H 1 1.389 . . 1 . 140 . . 14 LEU HG . 18132 1 151 . 1 1 14 14 LEU HD11 H 1 0.731 . . 1 . 138 . . 14 LEU HD11 . 18132 1 152 . 1 1 14 14 LEU HD12 H 1 0.731 . . 1 . 138 . . 14 LEU HD12 . 18132 1 153 . 1 1 14 14 LEU HD13 H 1 0.731 . . 1 . 138 . . 14 LEU HD13 . 18132 1 154 . 1 1 14 14 LEU HD21 H 1 0.667 . . 1 . 139 . . 14 LEU HD21 . 18132 1 155 . 1 1 14 14 LEU HD22 H 1 0.667 . . 1 . 139 . . 14 LEU HD22 . 18132 1 156 . 1 1 14 14 LEU HD23 H 1 0.667 . . 1 . 139 . . 14 LEU HD23 . 18132 1 157 . 1 1 14 14 LEU CA C 13 53.835 . . 1 . 141 . . 14 LEU CA . 18132 1 158 . 1 1 14 14 LEU CB C 13 45.299 . . 1 . 142 . . 14 LEU CB . 18132 1 159 . 1 1 14 14 LEU CG C 13 27.505 . . 1 . 144 . . 14 LEU CG . 18132 1 160 . 1 1 14 14 LEU CD1 C 13 24.946 . . 1 . 143 . . 14 LEU CD1 . 18132 1 161 . 1 1 14 14 LEU N N 15 126.794 . . 1 . 145 . . 14 LEU N . 18132 1 162 . 1 1 15 15 ALA H H 1 7.768 . . 1 . 146 . . 15 ALA H . 18132 1 163 . 1 1 15 15 ALA HA H 1 4.834 . . 1 . 147 . . 15 ALA HA . 18132 1 164 . 1 1 15 15 ALA HB1 H 1 0.980 . . 1 . 148 . . 15 ALA HB1 . 18132 1 165 . 1 1 15 15 ALA HB2 H 1 0.980 . . 1 . 148 . . 15 ALA HB2 . 18132 1 166 . 1 1 15 15 ALA HB3 H 1 0.980 . . 1 . 148 . . 15 ALA HB3 . 18132 1 167 . 1 1 15 15 ALA CA C 13 50.828 . . 1 . 149 . . 15 ALA CA . 18132 1 168 . 1 1 15 15 ALA CB C 13 20.869 . . 1 . 150 . . 15 ALA CB . 18132 1 169 . 1 1 15 15 ALA N N 15 122.460 . . 1 . 151 . . 15 ALA N . 18132 1 170 . 1 1 16 16 PHE H H 1 8.267 . . 1 . 152 . . 16 PHE H . 18132 1 171 . 1 1 16 16 PHE HA H 1 4.835 . . 1 . 153 . . 16 PHE HA . 18132 1 172 . 1 1 16 16 PHE HB2 H 1 3.202 . . 1 . 154 . . 16 PHE HB2 . 18132 1 173 . 1 1 16 16 PHE HB3 H 1 2.639 . . 1 . 155 . . 16 PHE HB3 . 18132 1 174 . 1 1 16 16 PHE CA C 13 55.964 . . 1 . 156 . . 16 PHE CA . 18132 1 175 . 1 1 16 16 PHE CB C 13 44.260 . . 1 . 157 . . 16 PHE CB . 18132 1 176 . 1 1 16 16 PHE N N 15 120.500 . . 1 . 158 . . 16 PHE N . 18132 1 177 . 1 1 17 17 ASP H H 1 9.562 . . 1 . 159 . . 17 ASP H . 18132 1 178 . 1 1 17 17 ASP HA H 1 4.568 . . 1 . 160 . . 17 ASP HA . 18132 1 179 . 1 1 17 17 ASP HB2 H 1 2.791 . . 1 . 161 . . 17 ASP HB2 . 18132 1 180 . 1 1 17 17 ASP HB3 H 1 2.581 . . 1 . 162 . . 17 ASP HB3 . 18132 1 181 . 1 1 17 17 ASP CA C 13 56.474 . . 1 . 163 . . 17 ASP CA . 18132 1 182 . 1 1 17 17 ASP CB C 13 42.236 . . 1 . 164 . . 17 ASP CB . 18132 1 183 . 1 1 17 17 ASP N N 15 124.606 . . 1 . 165 . . 17 ASP N . 18132 1 184 . 1 1 18 18 GLU H H 1 8.990 . . 1 . 166 . . 18 GLU H . 18132 1 185 . 1 1 18 18 GLU HA H 1 3.742 . . 1 . 167 . . 18 GLU HA . 18132 1 186 . 1 1 18 18 GLU HB2 H 1 1.901 . . 1 . 168 . . 18 GLU HB2 . 18132 1 187 . 1 1 18 18 GLU HB3 H 1 1.835 . . 1 . 169 . . 18 GLU HB3 . 18132 1 188 . 1 1 18 18 GLU HG2 H 1 2.221 . . 1 . 170 . . 18 GLU HG2 . 18132 1 189 . 1 1 18 18 GLU HG3 H 1 2.120 . . 1 . 171 . . 18 GLU HG3 . 18132 1 190 . 1 1 18 18 GLU CA C 13 60.959 . . 1 . 172 . . 18 GLU CA . 18132 1 191 . 1 1 18 18 GLU CB C 13 30.287 . . 1 . 173 . . 18 GLU CB . 18132 1 192 . 1 1 18 18 GLU CG C 13 36.589 . . 1 . 174 . . 18 GLU CG . 18132 1 193 . 1 1 18 18 GLU N N 15 123.565 . . 1 . 175 . . 18 GLU N . 18132 1 194 . 1 1 19 19 ASP H H 1 8.334 . . 1 . 176 . . 19 ASP H . 18132 1 195 . 1 1 19 19 ASP HA H 1 4.527 . . 1 . 177 . . 19 ASP HA . 18132 1 196 . 1 1 19 19 ASP HB2 H 1 2.694 . . 1 . 178 . . 19 ASP HB2 . 18132 1 197 . 1 1 19 19 ASP HB3 H 1 2.372 . . 1 . 179 . . 19 ASP HB3 . 18132 1 198 . 1 1 19 19 ASP CA C 13 56.926 . . 1 . 180 . . 19 ASP CA . 18132 1 199 . 1 1 19 19 ASP CB C 13 39.231 . . 1 . 181 . . 19 ASP CB . 18132 1 200 . 1 1 19 19 ASP N N 15 118.092 . . 1 . 182 . . 19 ASP N . 18132 1 201 . 1 1 20 20 VAL H H 1 8.026 . . 1 . 183 . . 20 VAL H . 18132 1 202 . 1 1 20 20 VAL HA H 1 3.275 . . 1 . 184 . . 20 VAL HA . 18132 1 203 . 1 1 20 20 VAL HB H 1 2.301 . . 1 . 185 . . 20 VAL HB . 18132 1 204 . 1 1 20 20 VAL HG11 H 1 0.947 . . 1 . 186 . . 20 VAL HG11 . 18132 1 205 . 1 1 20 20 VAL HG12 H 1 0.947 . . 1 . 186 . . 20 VAL HG12 . 18132 1 206 . 1 1 20 20 VAL HG13 H 1 0.947 . . 1 . 186 . . 20 VAL HG13 . 18132 1 207 . 1 1 20 20 VAL HG21 H 1 0.653 . . 1 . 187 . . 20 VAL HG21 . 18132 1 208 . 1 1 20 20 VAL HG22 H 1 0.653 . . 1 . 187 . . 20 VAL HG22 . 18132 1 209 . 1 1 20 20 VAL HG23 H 1 0.653 . . 1 . 187 . . 20 VAL HG23 . 18132 1 210 . 1 1 20 20 VAL CA C 13 67.607 . . 1 . 188 . . 20 VAL CA . 18132 1 211 . 1 1 20 20 VAL CB C 13 32.260 . . 1 . 189 . . 20 VAL CB . 18132 1 212 . 1 1 20 20 VAL CG1 C 13 23.800 . . 1 . 190 . . 20 VAL CG1 . 18132 1 213 . 1 1 20 20 VAL N N 15 126.938 . . 1 . 191 . . 20 VAL N . 18132 1 214 . 1 1 21 21 TYR H H 1 8.367 . . 1 . 192 . . 21 TYR H . 18132 1 215 . 1 1 21 21 TYR HA H 1 3.554 . . 1 . 193 . . 21 TYR HA . 18132 1 216 . 1 1 21 21 TYR HB2 H 1 2.965 . . 1 . 194 . . 21 TYR HB2 . 18132 1 217 . 1 1 21 21 TYR HB3 H 1 2.736 . . 1 . 195 . . 21 TYR HB3 . 18132 1 218 . 1 1 21 21 TYR CA C 13 63.011 . . 1 . 196 . . 21 TYR CA . 18132 1 219 . 1 1 21 21 TYR CB C 13 38.985 . . 1 . 197 . . 21 TYR CB . 18132 1 220 . 1 1 21 21 TYR N N 15 118.599 . . 1 . 198 . . 21 TYR N . 18132 1 221 . 1 1 22 22 HIS H H 1 8.851 . . 1 . 199 . . 22 HIS H . 18132 1 222 . 1 1 22 22 HIS HA H 1 4.050 . . 1 . 200 . . 22 HIS HA . 18132 1 223 . 1 1 22 22 HIS HB2 H 1 3.369 . . 1 . 201 . . 22 HIS HB2 . 18132 1 224 . 1 1 22 22 HIS HB3 H 1 3.189 . . 1 . 202 . . 22 HIS HB3 . 18132 1 225 . 1 1 22 22 HIS CA C 13 60.312 . . 1 . 203 . . 22 HIS CA . 18132 1 226 . 1 1 22 22 HIS CB C 13 30.311 . . 1 . 204 . . 22 HIS CB . 18132 1 227 . 1 1 22 22 HIS N N 15 116.358 . . 1 . 205 . . 22 HIS N . 18132 1 228 . 1 1 23 23 THR H H 1 7.870 . . 1 . 206 . . 23 THR H . 18132 1 229 . 1 1 23 23 THR HA H 1 4.125 . . 1 . 207 . . 23 THR HA . 18132 1 230 . 1 1 23 23 THR HB H 1 3.649 . . 1 . 208 . . 23 THR HB . 18132 1 231 . 1 1 23 23 THR CA C 13 68.442 . . 1 . 209 . . 23 THR CA . 18132 1 232 . 1 1 23 23 THR CG2 C 13 22.108 . . 1 . 210 . . 23 THR CG2 . 18132 1 233 . 1 1 23 23 THR N N 15 115.251 . . 1 . 211 . . 23 THR N . 18132 1 234 . 1 1 24 24 LEU H H 1 8.260 . . 1 . 212 . . 24 LEU H . 18132 1 235 . 1 1 24 24 LEU HA H 1 3.734 . . 1 . 213 . . 24 LEU HA . 18132 1 236 . 1 1 24 24 LEU HB2 H 1 1.384 . . 1 . 214 . . 24 LEU HB2 . 18132 1 237 . 1 1 24 24 LEU HB3 H 1 1.410 . . 1 . 215 . . 24 LEU HB3 . 18132 1 238 . 1 1 24 24 LEU HD11 H 1 0.768 . . 1 . 216 . . 24 LEU HD11 . 18132 1 239 . 1 1 24 24 LEU HD12 H 1 0.768 . . 1 . 216 . . 24 LEU HD12 . 18132 1 240 . 1 1 24 24 LEU HD13 H 1 0.768 . . 1 . 216 . . 24 LEU HD13 . 18132 1 241 . 1 1 24 24 LEU HD21 H 1 0.474 . . 1 . 217 . . 24 LEU HD21 . 18132 1 242 . 1 1 24 24 LEU HD22 H 1 0.474 . . 1 . 217 . . 24 LEU HD22 . 18132 1 243 . 1 1 24 24 LEU HD23 H 1 0.474 . . 1 . 217 . . 24 LEU HD23 . 18132 1 244 . 1 1 24 24 LEU CA C 13 58.398 . . 1 . 218 . . 24 LEU CA . 18132 1 245 . 1 1 24 24 LEU CB C 13 42.398 . . 1 . 219 . . 24 LEU CB . 18132 1 246 . 1 1 24 24 LEU CG C 13 24.981 . . 1 . 221 . . 24 LEU CG . 18132 1 247 . 1 1 24 24 LEU CD1 C 13 24.419 . . 1 . 220 . . 24 LEU CD1 . 18132 1 248 . 1 1 24 24 LEU N N 15 121.640 . . 1 . 222 . . 24 LEU N . 18132 1 249 . 1 1 25 25 LYS H H 1 8.224 . . 1 . 223 . . 25 LYS H . 18132 1 250 . 1 1 25 25 LYS HA H 1 3.742 . . 1 . 224 . . 25 LYS HA . 18132 1 251 . 1 1 25 25 LYS HB2 H 1 1.436 . . 1 . 225 . . 25 LYS HB2 . 18132 1 252 . 1 1 25 25 LYS HB3 H 1 1.729 . . 1 . 226 . . 25 LYS HB3 . 18132 1 253 . 1 1 25 25 LYS HG2 H 1 1.158 . . 1 . 229 . . 25 LYS HG2 . 18132 1 254 . 1 1 25 25 LYS HD2 H 1 1.479 . . 1 . 227 . . 25 LYS HD2 . 18132 1 255 . 1 1 25 25 LYS HE2 H 1 2.816 . . 1 . 228 . . 25 LYS HE2 . 18132 1 256 . 1 1 25 25 LYS CA C 13 60.037 . . 1 . 230 . . 25 LYS CA . 18132 1 257 . 1 1 25 25 LYS CB C 13 31.717 . . 1 . 231 . . 25 LYS CB . 18132 1 258 . 1 1 25 25 LYS CG C 13 25.034 . . 1 . 234 . . 25 LYS CG . 18132 1 259 . 1 1 25 25 LYS CD C 13 29.458 . . 1 . 232 . . 25 LYS CD . 18132 1 260 . 1 1 25 25 LYS CE C 13 42.444 . . 1 . 233 . . 25 LYS CE . 18132 1 261 . 1 1 25 25 LYS N N 15 120.687 . . 1 . 235 . . 25 LYS N . 18132 1 262 . 1 1 26 26 LEU H H 1 7.607 . . 1 . 236 . . 26 LEU H . 18132 1 263 . 1 1 26 26 LEU HA H 1 3.936 . . 1 . 237 . . 26 LEU HA . 18132 1 264 . 1 1 26 26 LEU HB2 H 1 1.898 . . 1 . 238 . . 26 LEU HB2 . 18132 1 265 . 1 1 26 26 LEU HB3 H 1 1.373 . . 1 . 239 . . 26 LEU HB3 . 18132 1 266 . 1 1 26 26 LEU HG H 1 1.598 . . 1 . 241 . . 26 LEU HG . 18132 1 267 . 1 1 26 26 LEU HD11 H 1 0.756 . . 1 . 240 . . 26 LEU HD11 . 18132 1 268 . 1 1 26 26 LEU HD12 H 1 0.756 . . 1 . 240 . . 26 LEU HD12 . 18132 1 269 . 1 1 26 26 LEU HD13 H 1 0.756 . . 1 . 240 . . 26 LEU HD13 . 18132 1 270 . 1 1 26 26 LEU CA C 13 58.553 . . 1 . 242 . . 26 LEU CA . 18132 1 271 . 1 1 26 26 LEU CB C 13 42.463 . . 1 . 243 . . 26 LEU CB . 18132 1 272 . 1 1 26 26 LEU CG C 13 25.773 . . 1 . 245 . . 26 LEU CG . 18132 1 273 . 1 1 26 26 LEU CD1 C 13 23.062 . . 1 . 244 . . 26 LEU CD1 . 18132 1 274 . 1 1 26 26 LEU N N 15 119.051 . . 1 . 246 . . 26 LEU N . 18132 1 275 . 1 1 27 27 VAL H H 1 8.411 . . 1 . 247 . . 27 VAL H . 18132 1 276 . 1 1 27 27 VAL HA H 1 3.461 . . 1 . 248 . . 27 VAL HA . 18132 1 277 . 1 1 27 27 VAL HB H 1 2.250 . . 1 . 249 . . 27 VAL HB . 18132 1 278 . 1 1 27 27 VAL HG11 H 1 1.048 . . 1 . 250 . . 27 VAL HG11 . 18132 1 279 . 1 1 27 27 VAL HG12 H 1 1.048 . . 1 . 250 . . 27 VAL HG12 . 18132 1 280 . 1 1 27 27 VAL HG13 H 1 1.048 . . 1 . 250 . . 27 VAL HG13 . 18132 1 281 . 1 1 27 27 VAL HG21 H 1 1.069 . . 1 . 251 . . 27 VAL HG21 . 18132 1 282 . 1 1 27 27 VAL HG22 H 1 1.069 . . 1 . 251 . . 27 VAL HG22 . 18132 1 283 . 1 1 27 27 VAL HG23 H 1 1.069 . . 1 . 251 . . 27 VAL HG23 . 18132 1 284 . 1 1 27 27 VAL CA C 13 67.719 . . 1 . 252 . . 27 VAL CA . 18132 1 285 . 1 1 27 27 VAL CB C 13 32.060 . . 1 . 253 . . 27 VAL CB . 18132 1 286 . 1 1 27 27 VAL CG1 C 13 23.109 . . 1 . 254 . . 27 VAL CG1 . 18132 1 287 . 1 1 27 27 VAL CG2 C 13 23.071 . . 1 . 255 . . 27 VAL CG2 . 18132 1 288 . 1 1 27 27 VAL N N 15 120.057 . . 1 . 256 . . 27 VAL N . 18132 1 289 . 1 1 28 28 SER H H 1 8.443 . . 1 . 257 . . 28 SER H . 18132 1 290 . 1 1 28 28 SER HA H 1 3.973 . . 1 . 258 . . 28 SER HA . 18132 1 291 . 1 1 28 28 SER CA C 13 63.069 . . 1 . 259 . . 28 SER CA . 18132 1 292 . 1 1 28 28 SER N N 15 115.928 . . 1 . 260 . . 28 SER N . 18132 1 293 . 1 1 29 29 VAL H H 1 7.521 . . 1 . 261 . . 29 VAL H . 18132 1 294 . 1 1 29 29 VAL HA H 1 3.748 . . 1 . 262 . . 29 VAL HA . 18132 1 295 . 1 1 29 29 VAL HB H 1 2.048 . . 1 . 263 . . 29 VAL HB . 18132 1 296 . 1 1 29 29 VAL HG11 H 1 1.017 . . 1 . 264 . . 29 VAL HG11 . 18132 1 297 . 1 1 29 29 VAL HG12 H 1 1.017 . . 1 . 264 . . 29 VAL HG12 . 18132 1 298 . 1 1 29 29 VAL HG13 H 1 1.017 . . 1 . 264 . . 29 VAL HG13 . 18132 1 299 . 1 1 29 29 VAL HG21 H 1 0.873 . . 1 . 265 . . 29 VAL HG21 . 18132 1 300 . 1 1 29 29 VAL HG22 H 1 0.873 . . 1 . 265 . . 29 VAL HG22 . 18132 1 301 . 1 1 29 29 VAL HG23 H 1 0.873 . . 1 . 265 . . 29 VAL HG23 . 18132 1 302 . 1 1 29 29 VAL CA C 13 66.369 . . 1 . 266 . . 29 VAL CA . 18132 1 303 . 1 1 29 29 VAL CB C 13 32.336 . . 1 . 267 . . 29 VAL CB . 18132 1 304 . 1 1 29 29 VAL CG1 C 13 22.837 . . 1 . 268 . . 29 VAL CG1 . 18132 1 305 . 1 1 29 29 VAL N N 15 120.712 . . 1 . 269 . . 29 VAL N . 18132 1 306 . 1 1 30 30 TYR H H 1 7.968 . . 1 . 270 . . 30 TYR H . 18132 1 307 . 1 1 30 30 TYR HA H 1 4.157 . . 1 . 271 . . 30 TYR HA . 18132 1 308 . 1 1 30 30 TYR HB2 H 1 3.149 . . 1 . 272 . . 30 TYR HB2 . 18132 1 309 . 1 1 30 30 TYR HB3 H 1 2.943 . . 1 . 273 . . 30 TYR HB3 . 18132 1 310 . 1 1 30 30 TYR CA C 13 62.036 . . 1 . 274 . . 30 TYR CA . 18132 1 311 . 1 1 30 30 TYR CB C 13 38.921 . . 1 . 275 . . 30 TYR CB . 18132 1 312 . 1 1 30 30 TYR N N 15 121.113 . . 1 . 276 . . 30 TYR N . 18132 1 313 . 1 1 31 31 LEU H H 1 8.417 . . 1 . 277 . . 31 LEU H . 18132 1 314 . 1 1 31 31 LEU HA H 1 4.051 . . 1 . 278 . . 31 LEU HA . 18132 1 315 . 1 1 31 31 LEU HB2 H 1 1.610 . . 1 . 279 . . 31 LEU HB2 . 18132 1 316 . 1 1 31 31 LEU HB3 H 1 1.504 . . 1 . 280 . . 31 LEU HB3 . 18132 1 317 . 1 1 31 31 LEU HG H 1 1.961 . . 1 . 283 . . 31 LEU HG . 18132 1 318 . 1 1 31 31 LEU HD11 H 1 0.989 . . 1 . 281 . . 31 LEU HD11 . 18132 1 319 . 1 1 31 31 LEU HD12 H 1 0.989 . . 1 . 281 . . 31 LEU HD12 . 18132 1 320 . 1 1 31 31 LEU HD13 H 1 0.989 . . 1 . 281 . . 31 LEU HD13 . 18132 1 321 . 1 1 31 31 LEU HD21 H 1 0.908 . . 1 . 282 . . 31 LEU HD21 . 18132 1 322 . 1 1 31 31 LEU HD22 H 1 0.908 . . 1 . 282 . . 31 LEU HD22 . 18132 1 323 . 1 1 31 31 LEU HD23 H 1 0.908 . . 1 . 282 . . 31 LEU HD23 . 18132 1 324 . 1 1 31 31 LEU CA C 13 55.028 . . 1 . 284 . . 31 LEU CA . 18132 1 325 . 1 1 31 31 LEU CB C 13 42.674 . . 1 . 285 . . 31 LEU CB . 18132 1 326 . 1 1 31 31 LEU CG C 13 27.174 . . 1 . 287 . . 31 LEU CG . 18132 1 327 . 1 1 31 31 LEU CD1 C 13 22.484 . . 1 . 286 . . 31 LEU CD1 . 18132 1 328 . 1 1 31 31 LEU N N 15 114.228 . . 1 . 288 . . 31 LEU N . 18132 1 329 . 1 1 32 32 ASN H H 1 7.822 . . 1 . 289 . . 32 ASN H . 18132 1 330 . 1 1 32 32 ASN HA H 1 4.220 . . 1 . 290 . . 32 ASN HA . 18132 1 331 . 1 1 32 32 ASN HB2 H 1 3.112 . . 1 . 291 . . 32 ASN HB2 . 18132 1 332 . 1 1 32 32 ASN HB3 H 1 2.519 . . 1 . 292 . . 32 ASN HB3 . 18132 1 333 . 1 1 32 32 ASN CA C 13 54.292 . . 1 . 293 . . 32 ASN CA . 18132 1 334 . 1 1 32 32 ASN CB C 13 37.677 . . 1 . 294 . . 32 ASN CB . 18132 1 335 . 1 1 32 32 ASN N N 15 117.898 . . 1 . 295 . . 32 ASN N . 18132 1 336 . 1 1 33 33 ARG H H 1 7.944 . . 1 . 296 . . 33 ARG H . 18132 1 337 . 1 1 33 33 ARG HA H 1 4.525 . . 1 . 297 . . 33 ARG HA . 18132 1 338 . 1 1 33 33 ARG HB2 H 1 1.669 . . 1 . 298 . . 33 ARG HB2 . 18132 1 339 . 1 1 33 33 ARG HB3 H 1 1.179 . . 1 . 299 . . 33 ARG HB3 . 18132 1 340 . 1 1 33 33 ARG HG2 H 1 1.498 . . 1 . 302 . . 33 ARG HG2 . 18132 1 341 . 1 1 33 33 ARG HG3 H 1 1.660 . . 1 . 303 . . 33 ARG HG3 . 18132 1 342 . 1 1 33 33 ARG HD2 H 1 3.256 . . 1 . 300 . . 33 ARG HD2 . 18132 1 343 . 1 1 33 33 ARG HD3 H 1 2.769 . . 1 . 301 . . 33 ARG HD3 . 18132 1 344 . 1 1 33 33 ARG CA C 13 54.725 . . 1 . 304 . . 33 ARG CA . 18132 1 345 . 1 1 33 33 ARG CB C 13 35.662 . . 1 . 305 . . 33 ARG CB . 18132 1 346 . 1 1 33 33 ARG CG C 13 27.074 . . 1 . 307 . . 33 ARG CG . 18132 1 347 . 1 1 33 33 ARG CD C 13 44.183 . . 1 . 306 . . 33 ARG CD . 18132 1 348 . 1 1 33 33 ARG N N 15 116.306 . . 1 . 308 . . 33 ARG N . 18132 1 349 . 1 1 34 34 ASP H H 1 8.481 . . 1 . 309 . . 34 ASP H . 18132 1 350 . 1 1 34 34 ASP HA H 1 4.311 . . 1 . 310 . . 34 ASP HA . 18132 1 351 . 1 1 34 34 ASP HB2 H 1 2.493 . . 1 . 311 . . 34 ASP HB2 . 18132 1 352 . 1 1 34 34 ASP HB3 H 1 2.572 . . 1 . 312 . . 34 ASP HB3 . 18132 1 353 . 1 1 34 34 ASP CA C 13 54.939 . . 1 . 313 . . 34 ASP CA . 18132 1 354 . 1 1 34 34 ASP CB C 13 43.261 . . 1 . 314 . . 34 ASP CB . 18132 1 355 . 1 1 34 34 ASP N N 15 122.875 . . 1 . 315 . . 34 ASP N . 18132 1 356 . 1 1 35 35 MET H H 1 8.745 . . 1 . 316 . . 35 MET H . 18132 1 357 . 1 1 35 35 MET HA H 1 3.591 . . 1 . 317 . . 35 MET HA . 18132 1 358 . 1 1 35 35 MET HB2 H 1 1.937 . . 1 . 318 . . 35 MET HB2 . 18132 1 359 . 1 1 35 35 MET HG2 H 1 2.189 . . 1 . 319 . . 35 MET HG2 . 18132 1 360 . 1 1 35 35 MET CA C 13 60.618 . . 1 . 320 . . 35 MET CA . 18132 1 361 . 1 1 35 35 MET CB C 13 34.191 . . 1 . 321 . . 35 MET CB . 18132 1 362 . 1 1 35 35 MET CG C 13 32.443 . . 1 . 322 . . 35 MET CG . 18132 1 363 . 1 1 35 35 MET N N 15 125.065 . . 1 . 323 . . 35 MET N . 18132 1 364 . 1 1 36 36 THR H H 1 8.314 . . 1 . 324 . . 36 THR H . 18132 1 365 . 1 1 36 36 THR HA H 1 3.590 . . 1 . 325 . . 36 THR HA . 18132 1 366 . 1 1 36 36 THR HB H 1 4.141 . . 1 . 326 . . 36 THR HB . 18132 1 367 . 1 1 36 36 THR HG21 H 1 1.141 . . 1 . 327 . . 36 THR HG21 . 18132 1 368 . 1 1 36 36 THR HG22 H 1 1.141 . . 1 . 327 . . 36 THR HG22 . 18132 1 369 . 1 1 36 36 THR HG23 H 1 1.141 . . 1 . 327 . . 36 THR HG23 . 18132 1 370 . 1 1 36 36 THR CA C 13 67.160 . . 1 . 328 . . 36 THR CA . 18132 1 371 . 1 1 36 36 THR CB C 13 68.463 . . 1 . 329 . . 36 THR CB . 18132 1 372 . 1 1 36 36 THR CG2 C 13 23.005 . . 1 . 330 . . 36 THR CG2 . 18132 1 373 . 1 1 36 36 THR N N 15 112.506 . . 1 . 331 . . 36 THR N . 18132 1 374 . 1 1 37 37 GLU H H 1 7.312 . . 1 . 332 . . 37 GLU H . 18132 1 375 . 1 1 37 37 GLU HA H 1 4.089 . . 1 . 333 . . 37 GLU HA . 18132 1 376 . 1 1 37 37 GLU HB2 H 1 2.123 . . 1 . 334 . . 37 GLU HB2 . 18132 1 377 . 1 1 37 37 GLU HB3 H 1 2.255 . . 1 . 335 . . 37 GLU HB3 . 18132 1 378 . 1 1 37 37 GLU HG2 H 1 2.260 . . 1 . 336 . . 37 GLU HG2 . 18132 1 379 . 1 1 37 37 GLU HG3 H 1 2.300 . . 1 . 337 . . 37 GLU HG3 . 18132 1 380 . 1 1 37 37 GLU CA C 13 59.658 . . 1 . 338 . . 37 GLU CA . 18132 1 381 . 1 1 37 37 GLU CB C 13 30.167 . . 1 . 339 . . 37 GLU CB . 18132 1 382 . 1 1 37 37 GLU CG C 13 37.355 . . 1 . 340 . . 37 GLU CG . 18132 1 383 . 1 1 37 37 GLU N N 15 121.383 . . 1 . 341 . . 37 GLU N . 18132 1 384 . 1 1 38 38 ILE H H 1 7.207 . . 1 . 342 . . 38 ILE H . 18132 1 385 . 1 1 38 38 ILE HA H 1 2.982 . . 1 . 343 . . 38 ILE HA . 18132 1 386 . 1 1 38 38 ILE HB H 1 1.302 . . 1 . 344 . . 38 ILE HB . 18132 1 387 . 1 1 38 38 ILE HG12 H 1 1.275 . . 1 . 346 . . 38 ILE HG12 . 18132 1 388 . 1 1 38 38 ILE HG21 H 1 0.443 . . 1 . 347 . . 38 ILE HG21 . 18132 1 389 . 1 1 38 38 ILE HG22 H 1 0.443 . . 1 . 347 . . 38 ILE HG22 . 18132 1 390 . 1 1 38 38 ILE HG23 H 1 0.443 . . 1 . 347 . . 38 ILE HG23 . 18132 1 391 . 1 1 38 38 ILE HD11 H 1 0.428 . . 1 . 345 . . 38 ILE HD11 . 18132 1 392 . 1 1 38 38 ILE HD12 H 1 0.428 . . 1 . 345 . . 38 ILE HD12 . 18132 1 393 . 1 1 38 38 ILE HD13 H 1 0.428 . . 1 . 345 . . 38 ILE HD13 . 18132 1 394 . 1 1 38 38 ILE CA C 13 65.725 . . 1 . 348 . . 38 ILE CA . 18132 1 395 . 1 1 38 38 ILE CB C 13 37.747 . . 1 . 349 . . 38 ILE CB . 18132 1 396 . 1 1 38 38 ILE CG2 C 13 14.264 . . 1 . 350 . . 38 ILE CG2 . 18132 1 397 . 1 1 38 38 ILE N N 15 118.923 . . 1 . 351 . . 38 ILE N . 18132 1 398 . 1 1 39 39 ILE H H 1 7.756 . . 1 . 352 . . 39 ILE H . 18132 1 399 . 1 1 39 39 ILE HA H 1 3.089 . . 1 . 353 . . 39 ILE HA . 18132 1 400 . 1 1 39 39 ILE HB H 1 1.655 . . 1 . 354 . . 39 ILE HB . 18132 1 401 . 1 1 39 39 ILE HG13 H 1 0.721 . . 1 . 356 . . 39 ILE HG13 . 18132 1 402 . 1 1 39 39 ILE HG21 H 1 0.674 . . 1 . 357 . . 39 ILE HG21 . 18132 1 403 . 1 1 39 39 ILE HG22 H 1 0.674 . . 1 . 357 . . 39 ILE HG22 . 18132 1 404 . 1 1 39 39 ILE HG23 H 1 0.674 . . 1 . 357 . . 39 ILE HG23 . 18132 1 405 . 1 1 39 39 ILE HD11 H 1 0.504 . . 1 . 355 . . 39 ILE HD11 . 18132 1 406 . 1 1 39 39 ILE HD12 H 1 0.504 . . 1 . 355 . . 39 ILE HD12 . 18132 1 407 . 1 1 39 39 ILE HD13 H 1 0.504 . . 1 . 355 . . 39 ILE HD13 . 18132 1 408 . 1 1 39 39 ILE CA C 13 66.580 . . 1 . 358 . . 39 ILE CA . 18132 1 409 . 1 1 39 39 ILE CB C 13 37.923 . . 1 . 359 . . 39 ILE CB . 18132 1 410 . 1 1 39 39 ILE CG2 C 13 18.243 . . 1 . 360 . . 39 ILE CG2 . 18132 1 411 . 1 1 39 39 ILE N N 15 117.749 . . 1 . 361 . . 39 ILE N . 18132 1 412 . 1 1 40 40 GLU H H 1 8.164 . . 1 . 362 . . 40 GLU H . 18132 1 413 . 1 1 40 40 GLU HA H 1 3.628 . . 1 . 363 . . 40 GLU HA . 18132 1 414 . 1 1 40 40 GLU HB2 H 1 2.097 . . 1 . 364 . . 40 GLU HB2 . 18132 1 415 . 1 1 40 40 GLU HB3 H 1 1.964 . . 1 . 365 . . 40 GLU HB3 . 18132 1 416 . 1 1 40 40 GLU HG2 H 1 2.281 . . 1 . 366 . . 40 GLU HG2 . 18132 1 417 . 1 1 40 40 GLU HG3 H 1 2.240 . . 1 . 367 . . 40 GLU HG3 . 18132 1 418 . 1 1 40 40 GLU CA C 13 61.668 . . 1 . 368 . . 40 GLU CA . 18132 1 419 . 1 1 40 40 GLU CB C 13 29.922 . . 1 . 369 . . 40 GLU CB . 18132 1 420 . 1 1 40 40 GLU CG C 13 38.746 . . 1 . 370 . . 40 GLU CG . 18132 1 421 . 1 1 40 40 GLU N N 15 117.948 . . 1 . 371 . . 40 GLU N . 18132 1 422 . 1 1 41 41 GLU H H 1 7.952 . . 1 . 372 . . 41 GLU H . 18132 1 423 . 1 1 41 41 GLU HA H 1 3.538 . . 1 . 373 . . 41 GLU HA . 18132 1 424 . 1 1 41 41 GLU HB2 H 1 2.146 . . 1 . 374 . . 41 GLU HB2 . 18132 1 425 . 1 1 41 41 GLU HG2 H 1 2.368 . . 1 . 375 . . 41 GLU HG2 . 18132 1 426 . 1 1 41 41 GLU HG3 H 1 2.433 . . 1 . 376 . . 41 GLU HG3 . 18132 1 427 . 1 1 41 41 GLU CA C 13 61.253 . . 1 . 377 . . 41 GLU CA . 18132 1 428 . 1 1 41 41 GLU CB C 13 30.458 . . 1 . 378 . . 41 GLU CB . 18132 1 429 . 1 1 41 41 GLU CG C 13 38.972 . . 1 . 379 . . 41 GLU CG . 18132 1 430 . 1 1 41 41 GLU N N 15 119.281 . . 1 . 380 . . 41 GLU N . 18132 1 431 . 1 1 42 42 ALA H H 1 8.458 . . 1 . 381 . . 42 ALA H . 18132 1 432 . 1 1 42 42 ALA HA H 1 4.038 . . 1 . 382 . . 42 ALA HA . 18132 1 433 . 1 1 42 42 ALA HB1 H 1 1.246 . . 1 . 383 . . 42 ALA HB1 . 18132 1 434 . 1 1 42 42 ALA HB2 H 1 1.246 . . 1 . 383 . . 42 ALA HB2 . 18132 1 435 . 1 1 42 42 ALA HB3 H 1 1.246 . . 1 . 383 . . 42 ALA HB3 . 18132 1 436 . 1 1 42 42 ALA CA C 13 55.889 . . 1 . 384 . . 42 ALA CA . 18132 1 437 . 1 1 42 42 ALA CB C 13 17.733 . . 1 . 385 . . 42 ALA CB . 18132 1 438 . 1 1 42 42 ALA N N 15 120.358 . . 1 . 386 . . 42 ALA N . 18132 1 439 . 1 1 43 43 VAL H H 1 8.474 . . 1 . 387 . . 43 VAL H . 18132 1 440 . 1 1 43 43 VAL HA H 1 3.449 . . 1 . 388 . . 43 VAL HA . 18132 1 441 . 1 1 43 43 VAL HB H 1 2.168 . . 1 . 389 . . 43 VAL HB . 18132 1 442 . 1 1 43 43 VAL HG11 H 1 0.906 . . 1 . 390 . . 43 VAL HG11 . 18132 1 443 . 1 1 43 43 VAL HG12 H 1 0.906 . . 1 . 390 . . 43 VAL HG12 . 18132 1 444 . 1 1 43 43 VAL HG13 H 1 0.906 . . 1 . 390 . . 43 VAL HG13 . 18132 1 445 . 1 1 43 43 VAL HG21 H 1 0.671 . . 1 . 391 . . 43 VAL HG21 . 18132 1 446 . 1 1 43 43 VAL HG22 H 1 0.671 . . 1 . 391 . . 43 VAL HG22 . 18132 1 447 . 1 1 43 43 VAL HG23 H 1 0.671 . . 1 . 391 . . 43 VAL HG23 . 18132 1 448 . 1 1 43 43 VAL CA C 13 67.362 . . 1 . 392 . . 43 VAL CA . 18132 1 449 . 1 1 43 43 VAL CB C 13 31.916 . . 1 . 393 . . 43 VAL CB . 18132 1 450 . 1 1 43 43 VAL CG1 C 13 22.717 . . 1 . 394 . . 43 VAL CG1 . 18132 1 451 . 1 1 43 43 VAL CG2 C 13 22.727 . . 1 . 395 . . 43 VAL CG2 . 18132 1 452 . 1 1 43 43 VAL N N 15 119.540 . . 1 . 396 . . 43 VAL N . 18132 1 453 . 1 1 44 44 VAL H H 1 8.361 . . 1 . 397 . . 44 VAL H . 18132 1 454 . 1 1 44 44 VAL HA H 1 3.402 . . 1 . 398 . . 44 VAL HA . 18132 1 455 . 1 1 44 44 VAL HB H 1 1.833 . . 1 . 399 . . 44 VAL HB . 18132 1 456 . 1 1 44 44 VAL HG11 H 1 0.742 . . 1 . 400 . . 44 VAL HG11 . 18132 1 457 . 1 1 44 44 VAL HG12 H 1 0.742 . . 1 . 400 . . 44 VAL HG12 . 18132 1 458 . 1 1 44 44 VAL HG13 H 1 0.742 . . 1 . 400 . . 44 VAL HG13 . 18132 1 459 . 1 1 44 44 VAL HG21 H 1 0.155 . . 1 . 401 . . 44 VAL HG21 . 18132 1 460 . 1 1 44 44 VAL HG22 H 1 0.155 . . 1 . 401 . . 44 VAL HG22 . 18132 1 461 . 1 1 44 44 VAL HG23 H 1 0.155 . . 1 . 401 . . 44 VAL HG23 . 18132 1 462 . 1 1 44 44 VAL CA C 13 68.759 . . 1 . 402 . . 44 VAL CA . 18132 1 463 . 1 1 44 44 VAL CB C 13 31.462 . . 1 . 403 . . 44 VAL CB . 18132 1 464 . 1 1 44 44 VAL N N 15 121.473 . . 1 . 404 . . 44 VAL N . 18132 1 465 . 1 1 45 45 MET H H 1 8.681 . . 1 . 405 . . 45 MET H . 18132 1 466 . 1 1 45 45 MET HA H 1 4.063 . . 1 . 406 . . 45 MET HA . 18132 1 467 . 1 1 45 45 MET HB2 H 1 2.273 . . 1 . 407 . . 45 MET HB2 . 18132 1 468 . 1 1 45 45 MET HB3 H 1 2.265 . . 1 . 408 . . 45 MET HB3 . 18132 1 469 . 1 1 45 45 MET HG2 H 1 2.821 . . 1 . 409 . . 45 MET HG2 . 18132 1 470 . 1 1 45 45 MET HG3 H 1 2.549 . . 1 . 410 . . 45 MET HG3 . 18132 1 471 . 1 1 45 45 MET CA C 13 59.733 . . 1 . 411 . . 45 MET CA . 18132 1 472 . 1 1 45 45 MET CB C 13 33.079 . . 1 . 412 . . 45 MET CB . 18132 1 473 . 1 1 45 45 MET CG C 13 33.166 . . 1 . 413 . . 45 MET CG . 18132 1 474 . 1 1 45 45 MET N N 15 117.866 . . 1 . 414 . . 45 MET N . 18132 1 475 . 1 1 46 46 TRP H H 1 8.302 . . 1 . 415 . . 46 TRP H . 18132 1 476 . 1 1 46 46 TRP HA H 1 3.929 . . 1 . 416 . . 46 TRP HA . 18132 1 477 . 1 1 46 46 TRP HB2 H 1 3.652 . . 1 . 417 . . 46 TRP HB2 . 18132 1 478 . 1 1 46 46 TRP HB3 H 1 3.213 . . 1 . 418 . . 46 TRP HB3 . 18132 1 479 . 1 1 46 46 TRP CA C 13 63.129 . . 1 . 419 . . 46 TRP CA . 18132 1 480 . 1 1 46 46 TRP CB C 13 30.767 . . 1 . 420 . . 46 TRP CB . 18132 1 481 . 1 1 46 46 TRP N N 15 121.939 . . 1 . 421 . . 46 TRP N . 18132 1 482 . 1 1 47 47 LEU H H 1 8.779 . . 1 . 422 . . 47 LEU H . 18132 1 483 . 1 1 47 47 LEU HA H 1 3.767 . . 1 . 423 . . 47 LEU HA . 18132 1 484 . 1 1 47 47 LEU HB2 H 1 2.331 . . 1 . 424 . . 47 LEU HB2 . 18132 1 485 . 1 1 47 47 LEU HB3 H 1 1.234 . . 1 . 425 . . 47 LEU HB3 . 18132 1 486 . 1 1 47 47 LEU HG H 1 2.290 . . 1 . 428 . . 47 LEU HG . 18132 1 487 . 1 1 47 47 LEU HD11 H 1 0.753 . . 1 . 426 . . 47 LEU HD11 . 18132 1 488 . 1 1 47 47 LEU HD12 H 1 0.753 . . 1 . 426 . . 47 LEU HD12 . 18132 1 489 . 1 1 47 47 LEU HD13 H 1 0.753 . . 1 . 426 . . 47 LEU HD13 . 18132 1 490 . 1 1 47 47 LEU HD21 H 1 0.930 . . 1 . 427 . . 47 LEU HD21 . 18132 1 491 . 1 1 47 47 LEU HD22 H 1 0.930 . . 1 . 427 . . 47 LEU HD22 . 18132 1 492 . 1 1 47 47 LEU HD23 H 1 0.930 . . 1 . 427 . . 47 LEU HD23 . 18132 1 493 . 1 1 47 47 LEU CA C 13 59.240 . . 1 . 429 . . 47 LEU CA . 18132 1 494 . 1 1 47 47 LEU CB C 13 42.369 . . 1 . 430 . . 47 LEU CB . 18132 1 495 . 1 1 47 47 LEU CG C 13 26.524 . . 1 . 432 . . 47 LEU CG . 18132 1 496 . 1 1 47 47 LEU CD1 C 13 24.008 . . 1 . 431 . . 47 LEU CD1 . 18132 1 497 . 1 1 47 47 LEU N N 15 121.457 . . 1 . 433 . . 47 LEU N . 18132 1 498 . 1 1 48 48 ILE H H 1 4.066 . . 1 . 434 . . 48 ILE H . 18132 1 499 . 1 1 48 48 ILE HA H 1 3.353 . . 1 . 435 . . 48 ILE HA . 18132 1 500 . 1 1 48 48 ILE HB H 1 1.827 . . 1 . 436 . . 48 ILE HB . 18132 1 501 . 1 1 48 48 ILE HG12 H 1 0.936 . . 1 . 438 . . 48 ILE HG12 . 18132 1 502 . 1 1 48 48 ILE HD11 H 1 0.771 . . 1 . 437 . . 48 ILE HD11 . 18132 1 503 . 1 1 48 48 ILE HD12 H 1 0.771 . . 1 . 437 . . 48 ILE HD12 . 18132 1 504 . 1 1 48 48 ILE HD13 H 1 0.771 . . 1 . 437 . . 48 ILE HD13 . 18132 1 505 . 1 1 48 48 ILE C C 13 0.119 . . 1 . 439 . . 48 ILE C . 18132 1 506 . 1 1 48 48 ILE N N 15 0.099 . . 1 . 440 . . 48 ILE N . 18132 1 507 . 1 1 49 49 GLN H H 1 0.006 . . 1 . 441 . . 49 GLN H . 18132 1 508 . 1 1 49 49 GLN C C 13 0.069 . . 1 . 442 . . 49 GLN C . 18132 1 509 . 1 1 49 49 GLN N N 15 0.079 . . 1 . 443 . . 49 GLN N . 18132 1 510 . 1 1 50 50 ASN H H 1 0.008 . . 1 . 444 . . 50 ASN H . 18132 1 511 . 1 1 50 50 ASN C C 13 0.123 . . 1 . 445 . . 50 ASN C . 18132 1 512 . 1 1 50 50 ASN N N 15 0.041 . . 1 . 446 . . 50 ASN N . 18132 1 513 . 1 1 51 51 LYS H H 1 0.008 . . 1 . 447 . . 51 LYS H . 18132 1 514 . 1 1 51 51 LYS C C 13 0.196 . . 1 . 448 . . 51 LYS C . 18132 1 515 . 1 1 51 51 LYS N N 15 0.055 . . 1 . 449 . . 51 LYS N . 18132 1 516 . 1 1 52 52 GLU H H 1 0.056 . . 1 . 450 . . 52 GLU H . 18132 1 517 . 1 1 52 52 GLU C C 13 0.089 . . 1 . 451 . . 52 GLU C . 18132 1 518 . 1 1 52 52 GLU N N 15 0.152 . . 1 . 452 . . 52 GLU N . 18132 1 519 . 1 1 53 53 LYS H H 1 0.120 . . 1 . 453 . . 53 LYS H . 18132 1 520 . 1 1 53 53 LYS C C 13 0.188 . . 1 . 454 . . 53 LYS C . 18132 1 521 . 1 1 53 53 LYS N N 15 0.054 . . 1 . 455 . . 53 LYS N . 18132 1 522 . 1 1 54 54 LEU H H 1 0.010 . . 1 . 456 . . 54 LEU H . 18132 1 523 . 1 1 54 54 LEU C C 13 0.078 . . 1 . 457 . . 54 LEU C . 18132 1 524 . 1 1 54 54 LEU N N 15 0.044 . . 1 . 458 . . 54 LEU N . 18132 1 525 . 1 1 55 55 PRO C C 13 0.092 . . 1 . 459 . . 55 PRO C . 18132 1 526 . 1 1 56 56 ASN H H 1 0.008 . . 1 . 460 . . 56 ASN H . 18132 1 527 . 1 1 56 56 ASN C C 13 0.114 . . 1 . 461 . . 56 ASN C . 18132 1 528 . 1 1 56 56 ASN N N 15 0.121 . . 1 . 462 . . 56 ASN N . 18132 1 529 . 1 1 57 57 GLU H H 1 0.009 . . 1 . 463 . . 57 GLU H . 18132 1 530 . 1 1 57 57 GLU C C 13 0.088 . . 1 . 464 . . 57 GLU C . 18132 1 531 . 1 1 57 57 GLU N N 15 0.044 . . 1 . 465 . . 57 GLU N . 18132 1 532 . 1 1 58 58 LEU H H 1 0.006 . . 1 . 466 . . 58 LEU H . 18132 1 533 . 1 1 58 58 LEU C C 13 0.071 . . 1 . 467 . . 58 LEU C . 18132 1 534 . 1 1 58 58 LEU N N 15 0.047 . . 1 . 468 . . 58 LEU N . 18132 1 535 . 1 1 59 59 LYS H H 1 0.007 . . 1 . 469 . . 59 LYS H . 18132 1 536 . 1 1 59 59 LYS C C 13 0.224 . . 1 . 470 . . 59 LYS C . 18132 1 537 . 1 1 59 59 LYS N N 15 0.053 . . 1 . 471 . . 59 LYS N . 18132 1 538 . 1 1 60 60 PRO C C 13 0.047 . . 1 . 472 . . 60 PRO C . 18132 1 539 . 1 1 61 61 LYS H H 1 0.006 . . 1 . 473 . . 61 LYS H . 18132 1 540 . 1 1 61 61 LYS C C 13 0.112 . . 1 . 474 . . 61 LYS C . 18132 1 541 . 1 1 61 61 LYS N N 15 0.065 . . 1 . 475 . . 61 LYS N . 18132 1 542 . 1 1 62 62 ILE H H 1 0.008 . . 1 . 476 . . 62 ILE H . 18132 1 543 . 1 1 62 62 ILE C C 13 0.087 . . 1 . 477 . . 62 ILE C . 18132 1 544 . 1 1 62 62 ILE N N 15 0.053 . . 1 . 478 . . 62 ILE N . 18132 1 545 . 1 1 63 63 ASP H H 1 0.010 . . 1 . 479 . . 63 ASP H . 18132 1 546 . 1 1 63 63 ASP C C 13 0.106 . . 1 . 480 . . 63 ASP C . 18132 1 547 . 1 1 63 63 ASP N N 15 0.061 . . 1 . 481 . . 63 ASP N . 18132 1 548 . 1 1 64 64 GLU H H 1 0.008 . . 1 . 482 . . 64 GLU H . 18132 1 549 . 1 1 64 64 GLU C C 13 0.074 . . 1 . 483 . . 64 GLU C . 18132 1 550 . 1 1 64 64 GLU N N 15 0.072 . . 1 . 484 . . 64 GLU N . 18132 1 551 . 1 1 65 65 ILE H H 1 0.010 . . 1 . 485 . . 65 ILE H . 18132 1 552 . 1 1 65 65 ILE C C 13 0.102 . . 1 . 486 . . 65 ILE C . 18132 1 553 . 1 1 65 65 ILE N N 15 0.102 . . 1 . 487 . . 65 ILE N . 18132 1 554 . 1 1 66 66 SER H H 1 0.011 . . 1 . 488 . . 66 SER H . 18132 1 555 . 1 1 66 66 SER C C 13 0.253 . . 1 . 489 . . 66 SER C . 18132 1 556 . 1 1 66 66 SER N N 15 0.031 . . 1 . 490 . . 66 SER N . 18132 1 557 . 1 1 67 67 LYS H H 1 0.002 . . 1 . 491 . . 67 LYS H . 18132 1 558 . 1 1 67 67 LYS C C 13 0.256 . . 1 . 492 . . 67 LYS C . 18132 1 559 . 1 1 67 67 LYS N N 15 0.057 . . 1 . 493 . . 67 LYS N . 18132 1 560 . 1 1 68 68 ARG H H 1 0.011 . . 1 . 494 . . 68 ARG H . 18132 1 561 . 1 1 68 68 ARG C C 13 0.174 . . 1 . 495 . . 68 ARG C . 18132 1 562 . 1 1 68 68 ARG N N 15 0.125 . . 1 . 496 . . 68 ARG N . 18132 1 563 . 1 1 69 69 PHE H H 1 0.009 . . 1 . 497 . . 69 PHE H . 18132 1 564 . 1 1 69 69 PHE C C 13 0.124 . . 1 . 498 . . 69 PHE C . 18132 1 565 . 1 1 69 69 PHE N N 15 0.067 . . 1 . 499 . . 69 PHE N . 18132 1 566 . 1 1 70 70 PHE H H 1 0.009 . . 1 . 500 . . 70 PHE H . 18132 1 567 . 1 1 70 70 PHE C C 13 0.088 . . 1 . 501 . . 70 PHE C . 18132 1 568 . 1 1 70 70 PHE N N 15 0.115 . . 1 . 502 . . 70 PHE N . 18132 1 569 . 1 1 71 71 PRO C C 13 0.178 . . 1 . 503 . . 71 PRO C . 18132 1 570 . 1 1 72 72 ALA H H 1 0.004 . . 1 . 504 . . 72 ALA H . 18132 1 571 . 1 1 72 72 ALA C C 13 0.037 . . 1 . 505 . . 72 ALA C . 18132 1 572 . 1 1 72 72 ALA N N 15 0.049 . . 1 . 506 . . 72 ALA N . 18132 1 573 . 1 1 73 73 LYS H H 1 0.006 . . 1 . 507 . . 73 LYS H . 18132 1 574 . 1 1 73 73 LYS C C 13 0.300 . . 1 . 508 . . 73 LYS C . 18132 1 575 . 1 1 73 73 LYS N N 15 0.041 . . 1 . 509 . . 73 LYS N . 18132 1 stop_ save_