data_30162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30162 _Entry.Title ; Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-28 _Entry.Accession_date 2016-08-28 _Entry.Last_release_date 2016-12-09 _Entry.Original_release_date 2016-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 J. Lee J. . . . 30162 2 D. Nyenhuis D. A. . . 30162 3 E. Nelson E. A. . . 30162 4 D. Cafiso D. S. . . 30162 5 J. White J. M. . . 30162 6 L. Tamm L. K. . . 30162 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ebola virus' . 30162 'VIRAL PROTEIN' . 30162 'membrane fusion' . 30162 'membrane protein' . 30162 'protein-protein interaction' . 30162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 30162 '15N chemical shifts' 49 30162 '1H chemical shifts' 284 30162 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 . . 2018-03-16 2016-08-28 update BMRB 'update entry citation' 30162 1 . . 2017-08-22 2016-08-28 original author 'original release' 30162 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5T42 'BMRB Entry Tracking System' 30162 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28874543 _Citation.Full_citation . _Citation.Title ; Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 114 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first E7987 _Citation.Page_last E7996 _Citation.Year 2017 _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 J. Lee J. . . . 30162 1 2 D. Nyenhuis D. A. . . 30162 1 3 E. Nelson E. A. . . 30162 1 4 D. Cafiso D. S. . . 30162 1 5 J. White J. M. . . 30162 1 6 L. Tamm L. K. . . 30162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30162 _Assembly.ID 1 _Assembly.Name 'Envelope glycoprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDKTLPDQGDNDNWWTGWR QWIPAGIGVTGVVIAVIALF AIAKFVF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 632-676' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5134.819 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GP na 30162 1 GP1 na 30162 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 1 630 GLY . 30162 1 2 631 SER . 30162 1 3 632 ASP . 30162 1 4 633 LYS . 30162 1 5 634 THR . 30162 1 6 635 LEU . 30162 1 7 636 PRO . 30162 1 8 637 ASP . 30162 1 9 638 GLN . 30162 1 10 639 GLY . 30162 1 11 640 ASP . 30162 1 12 641 ASN . 30162 1 13 642 ASP . 30162 1 14 643 ASN . 30162 1 15 644 TRP . 30162 1 16 645 TRP . 30162 1 17 646 THR . 30162 1 18 647 GLY . 30162 1 19 648 TRP . 30162 1 20 649 ARG . 30162 1 21 650 GLN . 30162 1 22 651 TRP . 30162 1 23 652 ILE . 30162 1 24 653 PRO . 30162 1 25 654 ALA . 30162 1 26 655 GLY . 30162 1 27 656 ILE . 30162 1 28 657 GLY . 30162 1 29 658 VAL . 30162 1 30 659 THR . 30162 1 31 660 GLY . 30162 1 32 661 VAL . 30162 1 33 662 VAL . 30162 1 34 663 ILE . 30162 1 35 664 ALA . 30162 1 36 665 VAL . 30162 1 37 666 ILE . 30162 1 38 667 ALA . 30162 1 39 668 LEU . 30162 1 40 669 PHE . 30162 1 41 670 ALA . 30162 1 42 671 ILE . 30162 1 43 672 ALA . 30162 1 44 673 LYS . 30162 1 45 674 PHE . 30162 1 46 675 VAL . 30162 1 47 676 PHE . 30162 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 . GLY 1 1 30162 1 . SER 2 2 30162 1 . ASP 3 3 30162 1 . LYS 4 4 30162 1 . THR 5 5 30162 1 . LEU 6 6 30162 1 . PRO 7 7 30162 1 . ASP 8 8 30162 1 . GLN 9 9 30162 1 . GLY 10 10 30162 1 . ASP 11 11 30162 1 . ASN 12 12 30162 1 . ASP 13 13 30162 1 . ASN 14 14 30162 1 . TRP 15 15 30162 1 . TRP 16 16 30162 1 . THR 17 17 30162 1 . GLY 18 18 30162 1 . TRP 19 19 30162 1 . ARG 20 20 30162 1 . GLN 21 21 30162 1 . TRP 22 22 30162 1 . ILE 23 23 30162 1 . PRO 24 24 30162 1 . ALA 25 25 30162 1 . GLY 26 26 30162 1 . ILE 27 27 30162 1 . GLY 28 28 30162 1 . VAL 29 29 30162 1 . THR 30 30 30162 1 . GLY 31 31 30162 1 . VAL 32 32 30162 1 . VAL 33 33 30162 1 . ILE 34 34 30162 1 . ALA 35 35 30162 1 . VAL 36 36 30162 1 . ILE 37 37 30162 1 . ALA 38 38 30162 1 . LEU 39 39 30162 1 . PHE 40 40 30162 1 . ALA 41 41 30162 1 . ILE 42 42 30162 1 . ALA 43 43 30162 1 . LYS 44 44 30162 1 . PHE 45 45 30162 1 . VAL 46 46 30162 1 . PHE 47 47 30162 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 30162 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 128951 organism . 'Zaire ebolavirus (strain Kikwit-95)' ZEBOV . . Viruses . Ebolavirus ZEBOV Kikwit-95 . . . . . . . . . . GP . 30162 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 30162 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 30162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30162 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '500 uM [U-99% 15N] EBOV_MPER/TM, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EBOV_MPER/TM '[U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 30162 1 2 Pi 'natural abundance' . . . . . . 30 . . mM . . . . 30162 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30162 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30162 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '500 uM [U-99% 13C; U-99% 15N] EBOV_MPER/TM, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EBOV_MPER/TM '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 30162 2 2 Pi 'natural abundance' . . . . . . 30 . . mM . . . . 30162 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 30162 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 30162 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 30162 1 pH 5.5 . pH 30162 1 pressure 1 . atm 30162 1 temperature 303 . K 30162 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30162 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30162 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30162 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30162 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30162 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30162 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30162 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30162 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30162 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30162 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30162 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30162 _Software.ID 5 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 30162 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30162 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30162 _Software.ID 6 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30162 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30162 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30162 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30162 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 30162 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30162 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30162 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30162 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 30162 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 30162 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30162 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 9 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 10 HCCCONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30162 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30162 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30162 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30162 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30162 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30162 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30162 1 2 '3D HNCA' . . . 30162 1 3 '3D HNCO' . . . 30162 1 4 '3D HN(CO)CA' . . . 30162 1 5 '3D HN(CA)CO' . . . 30162 1 6 '3D 1H-13C NOESY aromatic' . . . 30162 1 7 '3D 1H-13C NOESY' . . . 30162 1 8 '3D 1H-15N NOESY' . . . 30162 1 9 '3D CBCANH' . . . 30162 1 10 HCCCONH . . . 30162 1 11 '3D HCCH-TOCSY' . . . 30162 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.299 0.023 . 1 . . . . A 630 GLY H1 . 30162 1 2 . 1 1 1 1 GLY HA2 H 1 3.770 0.023 . 1 . . . . A 630 GLY HA2 . 30162 1 3 . 1 1 1 1 GLY HA3 H 1 3.770 0.023 . 1 . . . . A 630 GLY HA3 . 30162 1 4 . 1 1 1 1 GLY CA C 13 44.025 0.160 . 1 . . . . A 630 GLY CA . 30162 1 5 . 1 1 1 1 GLY N N 15 109.635 0.109 . 1 . . . . A 630 GLY N . 30162 1 6 . 1 1 2 2 SER H H 1 8.576 0.023 . 1 . . . . A 631 SER H . 30162 1 7 . 1 1 2 2 SER HA H 1 3.708 0.023 . 1 . . . . A 631 SER HA . 30162 1 8 . 1 1 2 2 SER C C 13 174.026 0.125 . 1 . . . . A 631 SER C . 30162 1 9 . 1 1 2 2 SER CA C 13 58.187 0.160 . 1 . . . . A 631 SER CA . 30162 1 10 . 1 1 2 2 SER CB C 13 63.805 0.138 . 1 . . . . A 631 SER CB . 30162 1 11 . 1 1 2 2 SER N N 15 115.897 0.109 . 1 . . . . A 631 SER N . 30162 1 12 . 1 1 3 3 ASP H H 1 8.363 0.023 . 1 . . . . A 632 ASP H . 30162 1 13 . 1 1 3 3 ASP HA H 1 4.444 0.023 . 1 . . . . A 632 ASP HA . 30162 1 14 . 1 1 3 3 ASP HB2 H 1 2.505 0.023 . 1 . . . . A 632 ASP HB2 . 30162 1 15 . 1 1 3 3 ASP HB3 H 1 2.505 0.023 . 1 . . . . A 632 ASP HB3 . 30162 1 16 . 1 1 3 3 ASP C C 13 176.080 0.125 . 1 . . . . A 632 ASP C . 30162 1 17 . 1 1 3 3 ASP CA C 13 53.768 0.160 . 1 . . . . A 632 ASP CA . 30162 1 18 . 1 1 3 3 ASP CB C 13 40.370 0.138 . 1 . . . . A 632 ASP CB . 30162 1 19 . 1 1 3 3 ASP N N 15 122.257 0.109 . 1 . . . . A 632 ASP N . 30162 1 20 . 1 1 4 4 LYS H H 1 8.163 0.023 . 1 . . . . A 633 LYS H . 30162 1 21 . 1 1 4 4 LYS HA H 1 4.223 0.023 . 1 . . . . A 633 LYS HA . 30162 1 22 . 1 1 4 4 LYS HB2 H 1 1.593 0.023 . 1 . . . . A 633 LYS HB2 . 30162 1 23 . 1 1 4 4 LYS HB3 H 1 1.686 0.023 . 1 . . . . A 633 LYS HB3 . 30162 1 24 . 1 1 4 4 LYS HG2 H 1 1.282 0.023 . 1 . . . . A 633 LYS HG2 . 30162 1 25 . 1 1 4 4 LYS HG3 H 1 1.282 0.023 . 1 . . . . A 633 LYS HG3 . 30162 1 26 . 1 1 4 4 LYS HD2 H 1 1.527 0.023 . 1 . . . . A 633 LYS HD2 . 30162 1 27 . 1 1 4 4 LYS HD3 H 1 1.527 0.023 . 1 . . . . A 633 LYS HD3 . 30162 1 28 . 1 1 4 4 LYS HE2 H 1 2.840 0.023 . 1 . . . . A 633 LYS HE2 . 30162 1 29 . 1 1 4 4 LYS HE3 H 1 2.840 0.023 . 1 . . . . A 633 LYS HE3 . 30162 1 30 . 1 1 4 4 LYS C C 13 176.479 0.125 . 1 . . . . A 633 LYS C . 30162 1 31 . 1 1 4 4 LYS CA C 13 56.040 0.160 . 1 . . . . A 633 LYS CA . 30162 1 32 . 1 1 4 4 LYS CB C 13 32.793 0.138 . 1 . . . . A 633 LYS CB . 30162 1 33 . 1 1 4 4 LYS CG C 13 24.500 . . 1 . . . . A 633 LYS CG . 30162 1 34 . 1 1 4 4 LYS CD C 13 28.889 . . 1 . . . . A 633 LYS CD . 30162 1 35 . 1 1 4 4 LYS CE C 13 41.917 . . 1 . . . . A 633 LYS CE . 30162 1 36 . 1 1 4 4 LYS N N 15 121.504 0.109 . 1 . . . . A 633 LYS N . 30162 1 37 . 1 1 5 5 THR H H 1 8.102 0.023 . 1 . . . . A 634 THR H . 30162 1 38 . 1 1 5 5 THR HA H 1 4.103 0.023 . 1 . . . . A 634 THR HA . 30162 1 39 . 1 1 5 5 THR HB H 1 4.026 0.023 . 1 . . . . A 634 THR HB . 30162 1 40 . 1 1 5 5 THR HG21 H 1 1.037 0.023 . 1 . . . . A 634 THR HG21 . 30162 1 41 . 1 1 5 5 THR HG22 H 1 1.037 0.023 . 1 . . . . A 634 THR HG22 . 30162 1 42 . 1 1 5 5 THR HG23 H 1 1.037 0.023 . 1 . . . . A 634 THR HG23 . 30162 1 43 . 1 1 5 5 THR C C 13 174.163 0.125 . 1 . . . . A 634 THR C . 30162 1 44 . 1 1 5 5 THR CA C 13 62.098 0.160 . 1 . . . . A 634 THR CA . 30162 1 45 . 1 1 5 5 THR CB C 13 69.689 0.138 . 1 . . . . A 634 THR CB . 30162 1 46 . 1 1 5 5 THR CG2 C 13 21.720 . . 1 . . . . A 634 THR CG2 . 30162 1 47 . 1 1 5 5 THR N N 15 115.462 0.109 . 1 . . . . A 634 THR N . 30162 1 48 . 1 1 6 6 LEU H H 1 8.023 0.023 . 1 . . . . A 635 LEU H . 30162 1 49 . 1 1 6 6 LEU HA H 1 4.502 0.023 . 1 . . . . A 635 LEU HA . 30162 1 50 . 1 1 6 6 LEU HB2 H 1 1.445 0.023 . 1 . . . . A 635 LEU HB2 . 30162 1 51 . 1 1 6 6 LEU HB3 H 1 1.481 0.023 . 1 . . . . A 635 LEU HB3 . 30162 1 52 . 1 1 6 6 LEU HD11 H 1 0.786 0.023 . 1 . . . . A 635 LEU HD11 . 30162 1 53 . 1 1 6 6 LEU HD12 H 1 0.786 0.023 . 1 . . . . A 635 LEU HD12 . 30162 1 54 . 1 1 6 6 LEU HD13 H 1 0.786 0.023 . 1 . . . . A 635 LEU HD13 . 30162 1 55 . 1 1 6 6 LEU HD21 H 1 0.750 0.023 . 1 . . . . A 635 LEU HD21 . 30162 1 56 . 1 1 6 6 LEU HD22 H 1 0.750 0.023 . 1 . . . . A 635 LEU HD22 . 30162 1 57 . 1 1 6 6 LEU HD23 H 1 0.750 0.023 . 1 . . . . A 635 LEU HD23 . 30162 1 58 . 1 1 6 6 LEU C C 13 175.089 0.125 . 1 . . . . A 635 LEU C . 30162 1 59 . 1 1 6 6 LEU CA C 13 52.878 0.160 . 1 . . . . A 635 LEU CA . 30162 1 60 . 1 1 6 6 LEU CB C 13 41.741 0.138 . 1 . . . . A 635 LEU CB . 30162 1 61 . 1 1 6 6 LEU N N 15 125.558 0.109 . 1 . . . . A 635 LEU N . 30162 1 62 . 1 1 7 7 PRO HA H 1 4.256 0.023 . 1 . . . . A 636 PRO HA . 30162 1 63 . 1 1 7 7 PRO HB2 H 1 2.127 0.023 . 1 . . . . A 636 PRO HB2 . 30162 1 64 . 1 1 7 7 PRO HB3 H 1 2.127 0.023 . 1 . . . . A 636 PRO HB3 . 30162 1 65 . 1 1 7 7 PRO HG2 H 1 1.750 0.023 . 1 . . . . A 636 PRO HG2 . 30162 1 66 . 1 1 7 7 PRO HG3 H 1 1.850 0.023 . 1 . . . . A 636 PRO HG3 . 30162 1 67 . 1 1 7 7 PRO HD2 H 1 3.494 0.023 . 1 . . . . A 636 PRO HD2 . 30162 1 68 . 1 1 7 7 PRO HD3 H 1 3.668 0.023 . 1 . . . . A 636 PRO HD3 . 30162 1 69 . 1 1 7 7 PRO C C 13 176.557 0.125 . 1 . . . . A 636 PRO C . 30162 1 70 . 1 1 7 7 PRO CA C 13 63.206 0.160 . 1 . . . . A 636 PRO CA . 30162 1 71 . 1 1 7 7 PRO CB C 13 31.898 0.138 . 1 . . . . A 636 PRO CB . 30162 1 72 . 1 1 7 7 PRO CG C 13 27.255 . . 1 . . . . A 636 PRO CG . 30162 1 73 . 1 1 7 7 PRO CD C 13 50.500 . . 1 . . . . A 636 PRO CD . 30162 1 74 . 1 1 8 8 ASP H H 1 8.245 0.023 . 1 . . . . A 637 ASP H . 30162 1 75 . 1 1 8 8 ASP HA H 1 4.387 0.023 . 1 . . . . A 637 ASP HA . 30162 1 76 . 1 1 8 8 ASP HB2 H 1 2.558 0.023 . 1 . . . . A 637 ASP HB2 . 30162 1 77 . 1 1 8 8 ASP HB3 H 1 2.558 0.023 . 1 . . . . A 637 ASP HB3 . 30162 1 78 . 1 1 8 8 ASP C C 13 176.226 0.125 . 1 . . . . A 637 ASP C . 30162 1 79 . 1 1 8 8 ASP CA C 13 53.866 0.160 . 1 . . . . A 637 ASP CA . 30162 1 80 . 1 1 8 8 ASP CB C 13 40.965 0.138 . 1 . . . . A 637 ASP CB . 30162 1 81 . 1 1 8 8 ASP N N 15 119.909 0.109 . 1 . . . . A 637 ASP N . 30162 1 82 . 1 1 9 9 GLN H H 1 8.198 0.023 . 1 . . . . A 638 GLN H . 30162 1 83 . 1 1 9 9 GLN HA H 1 4.185 0.023 . 1 . . . . A 638 GLN HA . 30162 1 84 . 1 1 9 9 GLN HB2 H 1 1.846 0.023 . 1 . . . . A 638 GLN HB2 . 30162 1 85 . 1 1 9 9 GLN HB3 H 1 2.035 0.023 . 1 . . . . A 638 GLN HB3 . 30162 1 86 . 1 1 9 9 GLN HG2 H 1 2.216 0.023 . 1 . . . . A 638 GLN HG2 . 30162 1 87 . 1 1 9 9 GLN HG3 H 1 2.216 0.023 . 1 . . . . A 638 GLN HG3 . 30162 1 88 . 1 1 9 9 GLN C C 13 176.382 0.125 . 1 . . . . A 638 GLN C . 30162 1 89 . 1 1 9 9 GLN CA C 13 55.857 0.160 . 1 . . . . A 638 GLN CA . 30162 1 90 . 1 1 9 9 GLN CB C 13 29.343 0.138 . 1 . . . . A 638 GLN CB . 30162 1 91 . 1 1 9 9 GLN CG C 13 33.895 . . 1 . . . . A 638 GLN CG . 30162 1 92 . 1 1 9 9 GLN N N 15 120.549 0.109 . 1 . . . . A 638 GLN N . 30162 1 93 . 1 1 10 10 GLY H H 1 8.333 0.023 . 1 . . . . A 639 GLY H . 30162 1 94 . 1 1 10 10 GLY HA2 H 1 3.802 0.023 . 1 . . . . A 639 GLY HA2 . 30162 1 95 . 1 1 10 10 GLY HA3 H 1 3.802 0.023 . 1 . . . . A 639 GLY HA3 . 30162 1 96 . 1 1 10 10 GLY C C 13 173.859 0.125 . 1 . . . . A 639 GLY C . 30162 1 97 . 1 1 10 10 GLY CA C 13 45.370 0.160 . 1 . . . . A 639 GLY CA . 30162 1 98 . 1 1 10 10 GLY N N 15 109.653 0.109 . 1 . . . . A 639 GLY N . 30162 1 99 . 1 1 11 11 ASP H H 1 8.113 0.023 . 1 . . . . A 640 ASP H . 30162 1 100 . 1 1 11 11 ASP HA H 1 4.518 0.023 . 1 . . . . A 640 ASP HA . 30162 1 101 . 1 1 11 11 ASP HB2 H 1 2.516 0.023 . 1 . . . . A 640 ASP HB2 . 30162 1 102 . 1 1 11 11 ASP HB3 H 1 2.516 0.023 . 1 . . . . A 640 ASP HB3 . 30162 1 103 . 1 1 11 11 ASP C C 13 176.109 0.125 . 1 . . . . A 640 ASP C . 30162 1 104 . 1 1 11 11 ASP CA C 13 54.154 0.160 . 1 . . . . A 640 ASP CA . 30162 1 105 . 1 1 11 11 ASP CB C 13 41.056 0.138 . 1 . . . . A 640 ASP CB . 30162 1 106 . 1 1 11 11 ASP N N 15 120.160 0.109 . 1 . . . . A 640 ASP N . 30162 1 107 . 1 1 12 12 ASN H H 1 8.275 0.023 . 1 . . . . A 641 ASN H . 30162 1 108 . 1 1 12 12 ASN HA H 1 4.545 0.023 . 1 . . . . A 641 ASN HA . 30162 1 109 . 1 1 12 12 ASN HB2 H 1 2.658 0.023 . 1 . . . . A 641 ASN HB2 . 30162 1 110 . 1 1 12 12 ASN HB3 H 1 2.658 0.023 . 1 . . . . A 641 ASN HB3 . 30162 1 111 . 1 1 12 12 ASN C C 13 174.886 0.125 . 1 . . . . A 641 ASN C . 30162 1 112 . 1 1 12 12 ASN CA C 13 53.983 0.160 . 1 . . . . A 641 ASN CA . 30162 1 113 . 1 1 12 12 ASN CB C 13 39.139 0.138 . 1 . . . . A 641 ASN CB . 30162 1 114 . 1 1 12 12 ASN N N 15 118.739 0.109 . 1 . . . . A 641 ASN N . 30162 1 115 . 1 1 13 13 ASP H H 1 8.143 0.023 . 1 . . . . A 642 ASP H . 30162 1 116 . 1 1 13 13 ASP HA H 1 4.467 0.023 . 1 . . . . A 642 ASP HA . 30162 1 117 . 1 1 13 13 ASP HB2 H 1 2.482 0.023 . 1 . . . . A 642 ASP HB2 . 30162 1 118 . 1 1 13 13 ASP HB3 H 1 2.525 0.023 . 1 . . . . A 642 ASP HB3 . 30162 1 119 . 1 1 13 13 ASP C C 13 175.751 0.125 . 1 . . . . A 642 ASP C . 30162 1 120 . 1 1 13 13 ASP CA C 13 54.309 0.160 . 1 . . . . A 642 ASP CA . 30162 1 121 . 1 1 13 13 ASP CB C 13 40.861 0.138 . 1 . . . . A 642 ASP CB . 30162 1 122 . 1 1 13 13 ASP N N 15 120.062 0.109 . 1 . . . . A 642 ASP N . 30162 1 123 . 1 1 14 14 ASN H H 1 8.008 0.023 . 1 . . . . A 643 ASN H . 30162 1 124 . 1 1 14 14 ASN HA H 1 4.387 0.023 . 1 . . . . A 643 ASN HA . 30162 1 125 . 1 1 14 14 ASN HB2 H 1 1.868 0.023 . 1 . . . . A 643 ASN HB2 . 30162 1 126 . 1 1 14 14 ASN HB3 H 1 2.096 0.023 . 1 . . . . A 643 ASN HB3 . 30162 1 127 . 1 1 14 14 ASN C C 13 176.329 0.125 . 1 . . . . A 643 ASN C . 30162 1 128 . 1 1 14 14 ASN CA C 13 53.161 0.160 . 1 . . . . A 643 ASN CA . 30162 1 129 . 1 1 14 14 ASN CB C 13 38.897 0.138 . 1 . . . . A 643 ASN CB . 30162 1 130 . 1 1 14 14 ASN N N 15 118.292 0.109 . 1 . . . . A 643 ASN N . 30162 1 131 . 1 1 15 15 TRP H H 1 8.125 0.023 . 1 . . . . A 644 TRP H . 30162 1 132 . 1 1 15 15 TRP HA H 1 4.181 0.023 . 1 . . . . A 644 TRP HA . 30162 1 133 . 1 1 15 15 TRP HB2 H 1 3.068 0.023 . 1 . . . . A 644 TRP HB2 . 30162 1 134 . 1 1 15 15 TRP HB3 H 1 3.259 0.023 . 1 . . . . A 644 TRP HB3 . 30162 1 135 . 1 1 15 15 TRP HD1 H 1 6.739 0.023 . 1 . . . . A 644 TRP HD1 . 30162 1 136 . 1 1 15 15 TRP HE1 H 1 10.467 0.023 . 1 . . . . A 644 TRP HE1 . 30162 1 137 . 1 1 15 15 TRP HE3 H 1 7.226 0.023 . 1 . . . . A 644 TRP HE3 . 30162 1 138 . 1 1 15 15 TRP HZ2 H 1 7.299 0.023 . 1 . . . . A 644 TRP HZ2 . 30162 1 139 . 1 1 15 15 TRP HZ3 H 1 6.674 0.023 . 1 . . . . A 644 TRP HZ3 . 30162 1 140 . 1 1 15 15 TRP HH2 H 1 6.957 0.023 . 1 . . . . A 644 TRP HH2 . 30162 1 141 . 1 1 15 15 TRP C C 13 176.503 0.125 . 1 . . . . A 644 TRP C . 30162 1 142 . 1 1 15 15 TRP CA C 13 59.376 0.160 . 1 . . . . A 644 TRP CA . 30162 1 143 . 1 1 15 15 TRP CB C 13 28.821 0.138 . 1 . . . . A 644 TRP CB . 30162 1 144 . 1 1 15 15 TRP CD1 C 13 126.951 . . 1 . . . . A 644 TRP CD1 . 30162 1 145 . 1 1 15 15 TRP CE3 C 13 120.192 . . 1 . . . . A 644 TRP CE3 . 30162 1 146 . 1 1 15 15 TRP CZ2 C 13 114.446 . . 1 . . . . A 644 TRP CZ2 . 30162 1 147 . 1 1 15 15 TRP CZ3 C 13 118.331 . . 1 . . . . A 644 TRP CZ3 . 30162 1 148 . 1 1 15 15 TRP CH2 C 13 123.991 . . 1 . . . . A 644 TRP CH2 . 30162 1 149 . 1 1 15 15 TRP N N 15 121.589 0.109 . 1 . . . . A 644 TRP N . 30162 1 150 . 1 1 15 15 TRP NE1 N 15 131.137 0.109 . 1 . . . . A 644 TRP NE1 . 30162 1 151 . 1 1 16 16 TRP H H 1 6.830 0.023 . 1 . . . . A 645 TRP H . 30162 1 152 . 1 1 16 16 TRP HA H 1 4.260 0.023 . 1 . . . . A 645 TRP HA . 30162 1 153 . 1 1 16 16 TRP HB2 H 1 2.208 0.023 . 1 . . . . A 645 TRP HB2 . 30162 1 154 . 1 1 16 16 TRP HB3 H 1 2.977 0.023 . 1 . . . . A 645 TRP HB3 . 30162 1 155 . 1 1 16 16 TRP HD1 H 1 7.421 0.023 . 1 . . . . A 645 TRP HD1 . 30162 1 156 . 1 1 16 16 TRP HE1 H 1 10.091 0.023 . 1 . . . . A 645 TRP HE1 . 30162 1 157 . 1 1 16 16 TRP HZ2 H 1 7.282 0.023 . 1 . . . . A 645 TRP HZ2 . 30162 1 158 . 1 1 16 16 TRP HH2 H 1 6.864 0.023 . 1 . . . . A 645 TRP HH2 . 30162 1 159 . 1 1 16 16 TRP C C 13 176.611 0.125 . 1 . . . . A 645 TRP C . 30162 1 160 . 1 1 16 16 TRP CA C 13 57.665 0.160 . 1 . . . . A 645 TRP CA . 30162 1 161 . 1 1 16 16 TRP CB C 13 28.252 0.138 . 1 . . . . A 645 TRP CB . 30162 1 162 . 1 1 16 16 TRP CD1 C 13 127.380 . . 1 . . . . A 645 TRP CD1 . 30162 1 163 . 1 1 16 16 TRP CZ2 C 13 114.450 . . 1 . . . . A 645 TRP CZ2 . 30162 1 164 . 1 1 16 16 TRP CH2 C 13 123.697 . . 1 . . . . A 645 TRP CH2 . 30162 1 165 . 1 1 16 16 TRP N N 15 116.388 0.109 . 1 . . . . A 645 TRP N . 30162 1 166 . 1 1 16 16 TRP NE1 N 15 129.730 0.109 . 1 . . . . A 645 TRP NE1 . 30162 1 167 . 1 1 17 17 THR H H 1 7.299 0.023 . 1 . . . . A 646 THR H . 30162 1 168 . 1 1 17 17 THR HA H 1 4.208 0.023 . 1 . . . . A 646 THR HA . 30162 1 169 . 1 1 17 17 THR HB H 1 3.954 0.023 . 1 . . . . A 646 THR HB . 30162 1 170 . 1 1 17 17 THR HG21 H 1 0.985 0.023 . 1 . . . . A 646 THR HG21 . 30162 1 171 . 1 1 17 17 THR HG22 H 1 0.985 0.023 . 1 . . . . A 646 THR HG22 . 30162 1 172 . 1 1 17 17 THR HG23 H 1 0.985 0.023 . 1 . . . . A 646 THR HG23 . 30162 1 173 . 1 1 17 17 THR C C 13 176.080 0.125 . 1 . . . . A 646 THR C . 30162 1 174 . 1 1 17 17 THR CA C 13 65.139 0.160 . 1 . . . . A 646 THR CA . 30162 1 175 . 1 1 17 17 THR CB C 13 68.898 0.138 . 1 . . . . A 646 THR CB . 30162 1 176 . 1 1 17 17 THR CG2 C 13 21.402 . . 1 . . . . A 646 THR CG2 . 30162 1 177 . 1 1 17 17 THR N N 15 114.323 0.109 . 1 . . . . A 646 THR N . 30162 1 178 . 1 1 18 18 GLY H H 1 8.272 0.023 . 1 . . . . A 647 GLY H . 30162 1 179 . 1 1 18 18 GLY HA2 H 1 3.709 0.023 . 1 . . . . A 647 GLY HA2 . 30162 1 180 . 1 1 18 18 GLY HA3 H 1 3.879 0.023 . 1 . . . . A 647 GLY HA3 . 30162 1 181 . 1 1 18 18 GLY C C 13 175.406 0.125 . 1 . . . . A 647 GLY C . 30162 1 182 . 1 1 18 18 GLY CA C 13 45.977 0.160 . 1 . . . . A 647 GLY CA . 30162 1 183 . 1 1 18 18 GLY N N 15 110.508 0.109 . 1 . . . . A 647 GLY N . 30162 1 184 . 1 1 19 19 TRP H H 1 7.478 0.023 . 1 . . . . A 648 TRP H . 30162 1 185 . 1 1 19 19 TRP HA H 1 3.806 0.023 . 1 . . . . A 648 TRP HA . 30162 1 186 . 1 1 19 19 TRP HB2 H 1 3.155 0.023 . 1 . . . . A 648 TRP HB2 . 30162 1 187 . 1 1 19 19 TRP HB3 H 1 3.155 0.023 . 1 . . . . A 648 TRP HB3 . 30162 1 188 . 1 1 19 19 TRP HD1 H 1 7.421 0.023 . 1 . . . . A 648 TRP HD1 . 30162 1 189 . 1 1 19 19 TRP HE1 H 1 10.746 0.023 . 1 . . . . A 648 TRP HE1 . 30162 1 190 . 1 1 19 19 TRP HE3 H 1 7.002 0.023 . 1 . . . . A 648 TRP HE3 . 30162 1 191 . 1 1 19 19 TRP HZ2 H 1 7.337 0.023 . 1 . . . . A 648 TRP HZ2 . 30162 1 192 . 1 1 19 19 TRP C C 13 176.956 0.125 . 1 . . . . A 648 TRP C . 30162 1 193 . 1 1 19 19 TRP CA C 13 59.300 0.160 . 1 . . . . A 648 TRP CA . 30162 1 194 . 1 1 19 19 TRP CB C 13 28.274 0.138 . 1 . . . . A 648 TRP CB . 30162 1 195 . 1 1 19 19 TRP CD1 C 13 127.987 . . 1 . . . . A 648 TRP CD1 . 30162 1 196 . 1 1 19 19 TRP CE3 C 13 128.403 . . 1 . . . . A 648 TRP CE3 . 30162 1 197 . 1 1 19 19 TRP CZ2 C 13 114.446 . . 1 . . . . A 648 TRP CZ2 . 30162 1 198 . 1 1 19 19 TRP N N 15 120.335 0.109 . 1 . . . . A 648 TRP N . 30162 1 199 . 1 1 19 19 TRP NE1 N 15 131.662 0.109 . 1 . . . . A 648 TRP NE1 . 30162 1 200 . 1 1 20 20 ARG H H 1 7.325 0.023 . 1 . . . . A 649 ARG H . 30162 1 201 . 1 1 20 20 ARG HA H 1 3.382 0.023 . 1 . . . . A 649 ARG HA . 30162 1 202 . 1 1 20 20 ARG HB2 H 1 1.075 0.023 . 1 . . . . A 649 ARG HB2 . 30162 1 203 . 1 1 20 20 ARG HB3 H 1 1.336 0.023 . 1 . . . . A 649 ARG HB3 . 30162 1 204 . 1 1 20 20 ARG HG2 H 1 0.458 0.023 . 1 . . . . A 649 ARG HG2 . 30162 1 205 . 1 1 20 20 ARG HG3 H 1 0.561 0.023 . 1 . . . . A 649 ARG HG3 . 30162 1 206 . 1 1 20 20 ARG HD2 H 1 2.738 0.023 . 1 . . . . A 649 ARG HD2 . 30162 1 207 . 1 1 20 20 ARG HD3 H 1 2.738 0.023 . 1 . . . . A 649 ARG HD3 . 30162 1 208 . 1 1 20 20 ARG C C 13 178.063 0.125 . 1 . . . . A 649 ARG C . 30162 1 209 . 1 1 20 20 ARG CA C 13 59.207 0.160 . 1 . . . . A 649 ARG CA . 30162 1 210 . 1 1 20 20 ARG CB C 13 29.151 0.138 . 1 . . . . A 649 ARG CB . 30162 1 211 . 1 1 20 20 ARG CG C 13 27.159 . . 1 . . . . A 649 ARG CG . 30162 1 212 . 1 1 20 20 ARG CD C 13 43.264 . . 1 . . . . A 649 ARG CD . 30162 1 213 . 1 1 20 20 ARG N N 15 119.033 0.109 . 1 . . . . A 649 ARG N . 30162 1 214 . 1 1 21 21 GLN H H 1 7.666 0.023 . 1 . . . . A 650 GLN H . 30162 1 215 . 1 1 21 21 GLN HA H 1 3.916 0.023 . 1 . . . . A 650 GLN HA . 30162 1 216 . 1 1 21 21 GLN HB2 H 1 1.804 0.023 . 1 . . . . A 650 GLN HB2 . 30162 1 217 . 1 1 21 21 GLN HB3 H 1 1.804 0.023 . 1 . . . . A 650 GLN HB3 . 30162 1 218 . 1 1 21 21 GLN HG2 H 1 2.011 0.023 . 1 . . . . A 650 GLN HG2 . 30162 1 219 . 1 1 21 21 GLN HG3 H 1 2.011 0.023 . 1 . . . . A 650 GLN HG3 . 30162 1 220 . 1 1 21 21 GLN C C 13 176.223 0.125 . 1 . . . . A 650 GLN C . 30162 1 221 . 1 1 21 21 GLN CA C 13 56.953 0.160 . 1 . . . . A 650 GLN CA . 30162 1 222 . 1 1 21 21 GLN CB C 13 28.385 0.138 . 1 . . . . A 650 GLN CB . 30162 1 223 . 1 1 21 21 GLN CG C 13 33.787 . . 1 . . . . A 650 GLN CG . 30162 1 224 . 1 1 21 21 GLN N N 15 114.465 0.109 . 1 . . . . A 650 GLN N . 30162 1 225 . 1 1 22 22 TRP H H 1 7.681 0.023 . 1 . . . . A 651 TRP H . 30162 1 226 . 1 1 22 22 TRP HA H 1 4.320 0.023 . 1 . . . . A 651 TRP HA . 30162 1 227 . 1 1 22 22 TRP HB2 H 1 3.194 0.023 . 1 . . . . A 651 TRP HB2 . 30162 1 228 . 1 1 22 22 TRP HB3 H 1 3.435 0.023 . 1 . . . . A 651 TRP HB3 . 30162 1 229 . 1 1 22 22 TRP HD1 H 1 7.130 0.023 . 1 . . . . A 651 TRP HD1 . 30162 1 230 . 1 1 22 22 TRP HE1 H 1 10.306 0.023 . 1 . . . . A 651 TRP HE1 . 30162 1 231 . 1 1 22 22 TRP HE3 H 1 7.200 0.023 . 1 . . . . A 651 TRP HE3 . 30162 1 232 . 1 1 22 22 TRP HZ2 H 1 7.401 0.023 . 1 . . . . A 651 TRP HZ2 . 30162 1 233 . 1 1 22 22 TRP HH2 H 1 7.087 0.023 . 1 . . . . A 651 TRP HH2 . 30162 1 234 . 1 1 22 22 TRP C C 13 174.795 0.125 . 1 . . . . A 651 TRP C . 30162 1 235 . 1 1 22 22 TRP CA C 13 57.621 0.160 . 1 . . . . A 651 TRP CA . 30162 1 236 . 1 1 22 22 TRP CB C 13 29.626 0.138 . 1 . . . . A 651 TRP CB . 30162 1 237 . 1 1 22 22 TRP CD1 C 13 126.296 . . 1 . . . . A 651 TRP CD1 . 30162 1 238 . 1 1 22 22 TRP CE3 C 13 120.655 . . 1 . . . . A 651 TRP CE3 . 30162 1 239 . 1 1 22 22 TRP CZ2 C 13 114.446 . . 1 . . . . A 651 TRP CZ2 . 30162 1 240 . 1 1 22 22 TRP CH2 C 13 123.990 . . 1 . . . . A 651 TRP CH2 . 30162 1 241 . 1 1 22 22 TRP N N 15 118.593 0.109 . 1 . . . . A 651 TRP N . 30162 1 242 . 1 1 22 22 TRP NE1 N 15 129.502 0.109 . 1 . . . . A 651 TRP NE1 . 30162 1 243 . 1 1 23 23 ILE H H 1 7.071 0.023 . 1 . . . . A 652 ILE H . 30162 1 244 . 1 1 23 23 ILE C C 13 174.368 0.125 . 1 . . . . A 652 ILE C . 30162 1 245 . 1 1 23 23 ILE N N 15 117.360 0.109 . 1 . . . . A 652 ILE N . 30162 1 246 . 1 1 24 24 PRO HA H 1 4.321 0.023 . 1 . . . . A 653 PRO HA . 30162 1 247 . 1 1 24 24 PRO HB2 H 1 2.234 0.023 . 1 . . . . A 653 PRO HB2 . 30162 1 248 . 1 1 24 24 PRO HB3 H 1 2.234 0.023 . 1 . . . . A 653 PRO HB3 . 30162 1 249 . 1 1 24 24 PRO HG2 H 1 1.837 0.023 . 1 . . . . A 653 PRO HG2 . 30162 1 250 . 1 1 24 24 PRO HG3 H 1 1.837 0.023 . 1 . . . . A 653 PRO HG3 . 30162 1 251 . 1 1 24 24 PRO C C 13 176.081 0.125 . 1 . . . . A 653 PRO C . 30162 1 252 . 1 1 24 24 PRO CA C 13 63.018 0.160 . 1 . . . . A 653 PRO CA . 30162 1 253 . 1 1 24 24 PRO CB C 13 31.662 0.138 . 1 . . . . A 653 PRO CB . 30162 1 254 . 1 1 25 25 ALA H H 1 8.396 0.023 . 1 . . . . A 654 ALA H . 30162 1 255 . 1 1 25 25 ALA HA H 1 4.072 0.023 . 1 . . . . A 654 ALA HA . 30162 1 256 . 1 1 25 25 ALA HB1 H 1 1.281 0.023 . 1 . . . . A 654 ALA HB1 . 30162 1 257 . 1 1 25 25 ALA HB2 H 1 1.281 0.023 . 1 . . . . A 654 ALA HB2 . 30162 1 258 . 1 1 25 25 ALA HB3 H 1 1.281 0.023 . 1 . . . . A 654 ALA HB3 . 30162 1 259 . 1 1 25 25 ALA C C 13 177.007 0.125 . 1 . . . . A 654 ALA C . 30162 1 260 . 1 1 25 25 ALA CA C 13 53.095 0.160 . 1 . . . . A 654 ALA CA . 30162 1 261 . 1 1 25 25 ALA CB C 13 18.869 0.138 . 1 . . . . A 654 ALA CB . 30162 1 262 . 1 1 25 25 ALA N N 15 123.364 0.109 . 1 . . . . A 654 ALA N . 30162 1 263 . 1 1 26 26 GLY H H 1 8.477 0.023 . 1 . . . . A 655 GLY H . 30162 1 264 . 1 1 26 26 GLY HA2 H 1 3.790 0.023 . 1 . . . . A 655 GLY HA2 . 30162 1 265 . 1 1 26 26 GLY HA3 H 1 3.790 0.023 . 1 . . . . A 655 GLY HA3 . 30162 1 266 . 1 1 26 26 GLY C C 13 176.242 0.125 . 1 . . . . A 655 GLY C . 30162 1 267 . 1 1 26 26 GLY CA C 13 45.783 0.160 . 1 . . . . A 655 GLY CA . 30162 1 268 . 1 1 26 26 GLY N N 15 106.208 0.109 . 1 . . . . A 655 GLY N . 30162 1 269 . 1 1 27 27 ILE H H 1 7.505 0.023 . 1 . . . . A 656 ILE H . 30162 1 270 . 1 1 27 27 ILE HA H 1 4.069 0.023 . 1 . . . . A 656 ILE HA . 30162 1 271 . 1 1 27 27 ILE HB H 1 1.765 0.023 . 1 . . . . A 656 ILE HB . 30162 1 272 . 1 1 27 27 ILE HG12 H 1 1.197 0.023 . 1 . . . . A 656 ILE HG12 . 30162 1 273 . 1 1 27 27 ILE HG13 H 1 1.458 0.023 . 1 . . . . A 656 ILE HG13 . 30162 1 274 . 1 1 27 27 ILE HG21 H 1 0.823 0.023 . 1 . . . . A 656 ILE HG21 . 30162 1 275 . 1 1 27 27 ILE HG22 H 1 0.823 0.023 . 1 . . . . A 656 ILE HG22 . 30162 1 276 . 1 1 27 27 ILE HG23 H 1 0.823 0.023 . 1 . . . . A 656 ILE HG23 . 30162 1 277 . 1 1 27 27 ILE C C 13 175.091 0.125 . 1 . . . . A 656 ILE C . 30162 1 278 . 1 1 27 27 ILE CA C 13 61.743 0.160 . 1 . . . . A 656 ILE CA . 30162 1 279 . 1 1 27 27 ILE CB C 13 38.806 0.138 . 1 . . . . A 656 ILE CB . 30162 1 280 . 1 1 27 27 ILE CG1 C 13 27.412 . . 1 . . . . A 656 ILE CG1 . 30162 1 281 . 1 1 27 27 ILE CG2 C 13 17.625 . . 1 . . . . A 656 ILE CG2 . 30162 1 282 . 1 1 27 27 ILE CD1 C 13 13.365 . . 1 . . . . A 656 ILE CD1 . 30162 1 283 . 1 1 27 27 ILE N N 15 117.365 0.109 . 1 . . . . A 656 ILE N . 30162 1 284 . 1 1 28 28 GLY H H 1 8.250 0.023 . 1 . . . . A 657 GLY H . 30162 1 285 . 1 1 28 28 GLY HA2 H 1 3.830 0.023 . 1 . . . . A 657 GLY HA2 . 30162 1 286 . 1 1 28 28 GLY HA3 H 1 4.034 0.023 . 1 . . . . A 657 GLY HA3 . 30162 1 287 . 1 1 28 28 GLY C C 13 173.432 0.125 . 1 . . . . A 657 GLY C . 30162 1 288 . 1 1 28 28 GLY CA C 13 45.053 0.160 . 1 . . . . A 657 GLY CA . 30162 1 289 . 1 1 28 28 GLY N N 15 110.490 0.109 . 1 . . . . A 657 GLY N . 30162 1 290 . 1 1 29 29 VAL H H 1 8.610 0.023 . 1 . . . . A 658 VAL H . 30162 1 291 . 1 1 29 29 VAL HA H 1 3.459 0.023 . 1 . . . . A 658 VAL HA . 30162 1 292 . 1 1 29 29 VAL HB H 1 1.997 0.023 . 1 . . . . A 658 VAL HB . 30162 1 293 . 1 1 29 29 VAL HG11 H 1 0.965 0.023 . 1 . . . . A 658 VAL HG11 . 30162 1 294 . 1 1 29 29 VAL HG12 H 1 0.965 0.023 . 1 . . . . A 658 VAL HG12 . 30162 1 295 . 1 1 29 29 VAL HG13 H 1 0.965 0.023 . 1 . . . . A 658 VAL HG13 . 30162 1 296 . 1 1 29 29 VAL HG21 H 1 0.837 0.023 . 1 . . . . A 658 VAL HG21 . 30162 1 297 . 1 1 29 29 VAL HG22 H 1 0.837 0.023 . 1 . . . . A 658 VAL HG22 . 30162 1 298 . 1 1 29 29 VAL HG23 H 1 0.837 0.023 . 1 . . . . A 658 VAL HG23 . 30162 1 299 . 1 1 29 29 VAL C C 13 177.064 0.125 . 1 . . . . A 658 VAL C . 30162 1 300 . 1 1 29 29 VAL CA C 13 66.494 0.160 . 1 . . . . A 658 VAL CA . 30162 1 301 . 1 1 29 29 VAL CB C 13 31.552 0.138 . 1 . . . . A 658 VAL CB . 30162 1 302 . 1 1 29 29 VAL CG1 C 13 22.639 . . 1 . . . . A 658 VAL CG1 . 30162 1 303 . 1 1 29 29 VAL CG2 C 13 21.558 . . 1 . . . . A 658 VAL CG2 . 30162 1 304 . 1 1 29 29 VAL N N 15 119.521 0.109 . 1 . . . . A 658 VAL N . 30162 1 305 . 1 1 30 30 THR H H 1 8.314 0.023 . 1 . . . . A 659 THR H . 30162 1 306 . 1 1 30 30 THR HA H 1 4.039 0.023 . 1 . . . . A 659 THR HA . 30162 1 307 . 1 1 30 30 THR HB H 1 3.990 0.023 . 1 . . . . A 659 THR HB . 30162 1 308 . 1 1 30 30 THR HG21 H 1 1.034 0.023 . 1 . . . . A 659 THR HG21 . 30162 1 309 . 1 1 30 30 THR HG22 H 1 1.034 0.023 . 1 . . . . A 659 THR HG22 . 30162 1 310 . 1 1 30 30 THR HG23 H 1 1.034 0.023 . 1 . . . . A 659 THR HG23 . 30162 1 311 . 1 1 30 30 THR C C 13 176.476 0.125 . 1 . . . . A 659 THR C . 30162 1 312 . 1 1 30 30 THR CA C 13 67.348 0.160 . 1 . . . . A 659 THR CA . 30162 1 313 . 1 1 30 30 THR CG2 C 13 21.895 . . 1 . . . . A 659 THR CG2 . 30162 1 314 . 1 1 30 30 THR N N 15 115.155 0.109 . 1 . . . . A 659 THR N . 30162 1 315 . 1 1 31 31 GLY H H 1 7.991 0.023 . 1 . . . . A 660 GLY H . 30162 1 316 . 1 1 31 31 GLY HA2 H 1 3.529 0.023 . 1 . . . . A 660 GLY HA2 . 30162 1 317 . 1 1 31 31 GLY HA3 H 1 3.529 0.023 . 1 . . . . A 660 GLY HA3 . 30162 1 318 . 1 1 31 31 GLY C C 13 174.296 0.125 . 1 . . . . A 660 GLY C . 30162 1 319 . 1 1 31 31 GLY CA C 13 47.464 0.160 . 1 . . . . A 660 GLY CA . 30162 1 320 . 1 1 31 31 GLY N N 15 106.921 0.109 . 1 . . . . A 660 GLY N . 30162 1 321 . 1 1 32 32 VAL H H 1 7.598 0.023 . 1 . . . . A 661 VAL H . 30162 1 322 . 1 1 32 32 VAL HA H 1 3.402 0.023 . 1 . . . . A 661 VAL HA . 30162 1 323 . 1 1 32 32 VAL HB H 1 2.123 0.023 . 1 . . . . A 661 VAL HB . 30162 1 324 . 1 1 32 32 VAL HG11 H 1 0.767 0.023 . 1 . . . . A 661 VAL HG11 . 30162 1 325 . 1 1 32 32 VAL HG12 H 1 0.767 0.023 . 1 . . . . A 661 VAL HG12 . 30162 1 326 . 1 1 32 32 VAL HG13 H 1 0.767 0.023 . 1 . . . . A 661 VAL HG13 . 30162 1 327 . 1 1 32 32 VAL HG21 H 1 0.767 0.023 . 1 . . . . A 661 VAL HG21 . 30162 1 328 . 1 1 32 32 VAL HG22 H 1 0.767 0.023 . 1 . . . . A 661 VAL HG22 . 30162 1 329 . 1 1 32 32 VAL HG23 H 1 0.767 0.023 . 1 . . . . A 661 VAL HG23 . 30162 1 330 . 1 1 32 32 VAL C C 13 176.698 0.125 . 1 . . . . A 661 VAL C . 30162 1 331 . 1 1 32 32 VAL CA C 13 67.112 0.160 . 1 . . . . A 661 VAL CA . 30162 1 332 . 1 1 32 32 VAL CB C 13 31.484 0.138 . 1 . . . . A 661 VAL CB . 30162 1 333 . 1 1 32 32 VAL CG1 C 13 23.565 . . 1 . . . . A 661 VAL CG1 . 30162 1 334 . 1 1 32 32 VAL CG2 C 13 21.514 . . 1 . . . . A 661 VAL CG2 . 30162 1 335 . 1 1 32 32 VAL N N 15 119.675 0.109 . 1 . . . . A 661 VAL N . 30162 1 336 . 1 1 33 33 VAL H H 1 8.053 0.023 . 1 . . . . A 662 VAL H . 30162 1 337 . 1 1 33 33 VAL HA H 1 3.285 0.023 . 1 . . . . A 662 VAL HA . 30162 1 338 . 1 1 33 33 VAL HB H 1 2.130 0.023 . 1 . . . . A 662 VAL HB . 30162 1 339 . 1 1 33 33 VAL HG11 H 1 0.755 0.023 . 1 . . . . A 662 VAL HG11 . 30162 1 340 . 1 1 33 33 VAL HG12 H 1 0.755 0.023 . 1 . . . . A 662 VAL HG12 . 30162 1 341 . 1 1 33 33 VAL HG13 H 1 0.755 0.023 . 1 . . . . A 662 VAL HG13 . 30162 1 342 . 1 1 33 33 VAL HG21 H 1 0.755 0.023 . 1 . . . . A 662 VAL HG21 . 30162 1 343 . 1 1 33 33 VAL HG22 H 1 0.755 0.023 . 1 . . . . A 662 VAL HG22 . 30162 1 344 . 1 1 33 33 VAL HG23 H 1 0.755 0.023 . 1 . . . . A 662 VAL HG23 . 30162 1 345 . 1 1 33 33 VAL C C 13 177.277 0.125 . 1 . . . . A 662 VAL C . 30162 1 346 . 1 1 33 33 VAL CA C 13 67.393 0.160 . 1 . . . . A 662 VAL CA . 30162 1 347 . 1 1 33 33 VAL CB C 13 31.072 0.138 . 1 . . . . A 662 VAL CB . 30162 1 348 . 1 1 33 33 VAL CG1 C 13 23.490 . . 1 . . . . A 662 VAL CG1 . 30162 1 349 . 1 1 33 33 VAL CG2 C 13 21.509 . . 1 . . . . A 662 VAL CG2 . 30162 1 350 . 1 1 33 33 VAL N N 15 118.364 0.109 . 1 . . . . A 662 VAL N . 30162 1 351 . 1 1 34 34 ILE H H 1 8.000 0.023 . 1 . . . . A 663 ILE H . 30162 1 352 . 1 1 34 34 ILE HA H 1 3.410 0.023 . 1 . . . . A 663 ILE HA . 30162 1 353 . 1 1 34 34 ILE HB H 1 1.794 0.023 . 1 . . . . A 663 ILE HB . 30162 1 354 . 1 1 34 34 ILE HG21 H 1 0.723 0.023 . 1 . . . . A 663 ILE HG21 . 30162 1 355 . 1 1 34 34 ILE HG22 H 1 0.723 0.023 . 1 . . . . A 663 ILE HG22 . 30162 1 356 . 1 1 34 34 ILE HG23 H 1 0.723 0.023 . 1 . . . . A 663 ILE HG23 . 30162 1 357 . 1 1 34 34 ILE C C 13 176.539 0.125 . 1 . . . . A 663 ILE C . 30162 1 358 . 1 1 34 34 ILE CA C 13 65.383 0.160 . 1 . . . . A 663 ILE CA . 30162 1 359 . 1 1 34 34 ILE CB C 13 37.284 0.138 . 1 . . . . A 663 ILE CB . 30162 1 360 . 1 1 34 34 ILE CG1 C 13 29.449 . . 1 . . . . A 663 ILE CG1 . 30162 1 361 . 1 1 34 34 ILE CG2 C 13 17.393 . . 1 . . . . A 663 ILE CG2 . 30162 1 362 . 1 1 34 34 ILE CD1 C 13 13.189 . . 1 . . . . A 663 ILE CD1 . 30162 1 363 . 1 1 34 34 ILE N N 15 117.189 0.109 . 1 . . . . A 663 ILE N . 30162 1 364 . 1 1 35 35 ALA H H 1 8.040 0.023 . 1 . . . . A 664 ALA H . 30162 1 365 . 1 1 35 35 ALA HA H 1 3.780 0.023 . 1 . . . . A 664 ALA HA . 30162 1 366 . 1 1 35 35 ALA HB1 H 1 1.328 0.023 . 1 . . . . A 664 ALA HB1 . 30162 1 367 . 1 1 35 35 ALA HB2 H 1 1.328 0.023 . 1 . . . . A 664 ALA HB2 . 30162 1 368 . 1 1 35 35 ALA HB3 H 1 1.328 0.023 . 1 . . . . A 664 ALA HB3 . 30162 1 369 . 1 1 35 35 ALA C C 13 178.530 0.125 . 1 . . . . A 664 ALA C . 30162 1 370 . 1 1 35 35 ALA CA C 13 55.680 0.160 . 1 . . . . A 664 ALA CA . 30162 1 371 . 1 1 35 35 ALA CB C 13 17.982 0.138 . 1 . . . . A 664 ALA CB . 30162 1 372 . 1 1 35 35 ALA N N 15 120.591 0.109 . 1 . . . . A 664 ALA N . 30162 1 373 . 1 1 36 36 VAL H H 1 8.169 0.023 . 1 . . . . A 665 VAL H . 30162 1 374 . 1 1 36 36 VAL HA H 1 3.401 0.023 . 1 . . . . A 665 VAL HA . 30162 1 375 . 1 1 36 36 VAL HB H 1 2.094 0.023 . 1 . . . . A 665 VAL HB . 30162 1 376 . 1 1 36 36 VAL HG11 H 1 0.878 0.023 . 1 . . . . A 665 VAL HG11 . 30162 1 377 . 1 1 36 36 VAL HG12 H 1 0.878 0.023 . 1 . . . . A 665 VAL HG12 . 30162 1 378 . 1 1 36 36 VAL HG13 H 1 0.878 0.023 . 1 . . . . A 665 VAL HG13 . 30162 1 379 . 1 1 36 36 VAL HG21 H 1 0.730 0.023 . 1 . . . . A 665 VAL HG21 . 30162 1 380 . 1 1 36 36 VAL HG22 H 1 0.730 0.023 . 1 . . . . A 665 VAL HG22 . 30162 1 381 . 1 1 36 36 VAL HG23 H 1 0.730 0.023 . 1 . . . . A 665 VAL HG23 . 30162 1 382 . 1 1 36 36 VAL C C 13 177.362 0.125 . 1 . . . . A 665 VAL C . 30162 1 383 . 1 1 36 36 VAL CA C 13 67.157 0.160 . 1 . . . . A 665 VAL CA . 30162 1 384 . 1 1 36 36 VAL CB C 13 31.385 0.138 . 1 . . . . A 665 VAL CB . 30162 1 385 . 1 1 36 36 VAL CG1 C 13 23.378 . . 1 . . . . A 665 VAL CG1 . 30162 1 386 . 1 1 36 36 VAL CG2 C 13 21.792 . . 1 . . . . A 665 VAL CG2 . 30162 1 387 . 1 1 36 36 VAL N N 15 116.031 0.109 . 1 . . . . A 665 VAL N . 30162 1 388 . 1 1 37 37 ILE H H 1 8.049 0.023 . 1 . . . . A 666 ILE H . 30162 1 389 . 1 1 37 37 ILE HA H 1 3.455 0.023 . 1 . . . . A 666 ILE HA . 30162 1 390 . 1 1 37 37 ILE HB H 1 1.835 0.023 . 1 . . . . A 666 ILE HB . 30162 1 391 . 1 1 37 37 ILE HG21 H 1 0.727 0.023 . 1 . . . . A 666 ILE HG21 . 30162 1 392 . 1 1 37 37 ILE HG22 H 1 0.727 0.023 . 1 . . . . A 666 ILE HG22 . 30162 1 393 . 1 1 37 37 ILE HG23 H 1 0.727 0.023 . 1 . . . . A 666 ILE HG23 . 30162 1 394 . 1 1 37 37 ILE C C 13 177.372 0.125 . 1 . . . . A 666 ILE C . 30162 1 395 . 1 1 37 37 ILE CA C 13 65.903 0.160 . 1 . . . . A 666 ILE CA . 30162 1 396 . 1 1 37 37 ILE CB C 13 37.699 0.138 . 1 . . . . A 666 ILE CB . 30162 1 397 . 1 1 37 37 ILE CG1 C 13 28.910 . . 1 . . . . A 666 ILE CG1 . 30162 1 398 . 1 1 37 37 ILE CG2 C 13 16.947 . . 1 . . . . A 666 ILE CG2 . 30162 1 399 . 1 1 37 37 ILE CD1 C 13 13.101 . . 1 . . . . A 666 ILE CD1 . 30162 1 400 . 1 1 37 37 ILE N N 15 118.813 0.109 . 1 . . . . A 666 ILE N . 30162 1 401 . 1 1 38 38 ALA H H 1 8.563 0.023 . 1 . . . . A 667 ALA H . 30162 1 402 . 1 1 38 38 ALA HA H 1 3.803 0.023 . 1 . . . . A 667 ALA HA . 30162 1 403 . 1 1 38 38 ALA HB1 H 1 1.296 0.023 . 1 . . . . A 667 ALA HB1 . 30162 1 404 . 1 1 38 38 ALA HB2 H 1 1.296 0.023 . 1 . . . . A 667 ALA HB2 . 30162 1 405 . 1 1 38 38 ALA HB3 H 1 1.296 0.023 . 1 . . . . A 667 ALA HB3 . 30162 1 406 . 1 1 38 38 ALA C C 13 178.923 0.125 . 1 . . . . A 667 ALA C . 30162 1 407 . 1 1 38 38 ALA CA C 13 55.748 0.160 . 1 . . . . A 667 ALA CA . 30162 1 408 . 1 1 38 38 ALA CB C 13 17.794 0.138 . 1 . . . . A 667 ALA CB . 30162 1 409 . 1 1 38 38 ALA N N 15 120.622 0.109 . 1 . . . . A 667 ALA N . 30162 1 410 . 1 1 39 39 LEU H H 1 8.321 0.023 . 1 . . . . A 668 LEU H . 30162 1 411 . 1 1 39 39 LEU HA H 1 3.837 0.023 . 1 . . . . A 668 LEU HA . 30162 1 412 . 1 1 39 39 LEU HB2 H 1 1.767 0.023 . 1 . . . . A 668 LEU HB2 . 30162 1 413 . 1 1 39 39 LEU HB3 H 1 1.834 0.023 . 1 . . . . A 668 LEU HB3 . 30162 1 414 . 1 1 39 39 LEU HG H 1 1.311 0.023 . 1 . . . . A 668 LEU HG . 30162 1 415 . 1 1 39 39 LEU HD11 H 1 0.678 0.023 . 1 . . . . A 668 LEU HD11 . 30162 1 416 . 1 1 39 39 LEU HD12 H 1 0.678 0.023 . 1 . . . . A 668 LEU HD12 . 30162 1 417 . 1 1 39 39 LEU HD13 H 1 0.678 0.023 . 1 . . . . A 668 LEU HD13 . 30162 1 418 . 1 1 39 39 LEU HD21 H 1 0.678 0.023 . 1 . . . . A 668 LEU HD21 . 30162 1 419 . 1 1 39 39 LEU HD22 H 1 0.678 0.023 . 1 . . . . A 668 LEU HD22 . 30162 1 420 . 1 1 39 39 LEU HD23 H 1 0.678 0.023 . 1 . . . . A 668 LEU HD23 . 30162 1 421 . 1 1 39 39 LEU C C 13 178.480 0.125 . 1 . . . . A 668 LEU C . 30162 1 422 . 1 1 39 39 LEU CA C 13 58.297 0.160 . 1 . . . . A 668 LEU CA . 30162 1 423 . 1 1 39 39 LEU CB C 13 41.565 0.138 . 1 . . . . A 668 LEU CB . 30162 1 424 . 1 1 39 39 LEU CG C 13 26.696 . . 1 . . . . A 668 LEU CG . 30162 1 425 . 1 1 39 39 LEU CD1 C 13 24.810 . . 1 . . . . A 668 LEU CD1 . 30162 1 426 . 1 1 39 39 LEU N N 15 116.931 0.109 . 1 . . . . A 668 LEU N . 30162 1 427 . 1 1 40 40 PHE H H 1 8.317 0.023 . 1 . . . . A 669 PHE H . 30162 1 428 . 1 1 40 40 PHE HA H 1 3.965 0.023 . 1 . . . . A 669 PHE HA . 30162 1 429 . 1 1 40 40 PHE HB2 H 1 3.059 0.023 . 1 . . . . A 669 PHE HB2 . 30162 1 430 . 1 1 40 40 PHE HB3 H 1 3.059 0.023 . 1 . . . . A 669 PHE HB3 . 30162 1 431 . 1 1 40 40 PHE HD1 H 1 7.152 0.023 . 1 . . . . A 669 PHE HD1 . 30162 1 432 . 1 1 40 40 PHE C C 13 176.820 0.125 . 1 . . . . A 669 PHE C . 30162 1 433 . 1 1 40 40 PHE CA C 13 61.630 0.160 . 1 . . . . A 669 PHE CA . 30162 1 434 . 1 1 40 40 PHE CB C 13 38.945 0.138 . 1 . . . . A 669 PHE CB . 30162 1 435 . 1 1 40 40 PHE CD1 C 13 131.905 . . 1 . . . . A 669 PHE CD1 . 30162 1 436 . 1 1 40 40 PHE N N 15 118.496 0.109 . 1 . . . . A 669 PHE N . 30162 1 437 . 1 1 41 41 ALA H H 1 8.546 0.023 . 1 . . . . A 670 ALA H . 30162 1 438 . 1 1 41 41 ALA HA H 1 3.792 0.023 . 1 . . . . A 670 ALA HA . 30162 1 439 . 1 1 41 41 ALA HB1 H 1 1.431 0.023 . 1 . . . . A 670 ALA HB1 . 30162 1 440 . 1 1 41 41 ALA HB2 H 1 1.431 0.023 . 1 . . . . A 670 ALA HB2 . 30162 1 441 . 1 1 41 41 ALA HB3 H 1 1.431 0.023 . 1 . . . . A 670 ALA HB3 . 30162 1 442 . 1 1 41 41 ALA C C 13 179.261 0.125 . 1 . . . . A 670 ALA C . 30162 1 443 . 1 1 41 41 ALA CA C 13 55.624 0.160 . 1 . . . . A 670 ALA CA . 30162 1 444 . 1 1 41 41 ALA CB C 13 18.217 0.138 . 1 . . . . A 670 ALA CB . 30162 1 445 . 1 1 41 41 ALA N N 15 120.299 0.109 . 1 . . . . A 670 ALA N . 30162 1 446 . 1 1 42 42 ILE H H 1 8.475 0.023 . 1 . . . . A 671 ILE H . 30162 1 447 . 1 1 42 42 ILE HA H 1 3.504 0.023 . 1 . . . . A 671 ILE HA . 30162 1 448 . 1 1 42 42 ILE HB H 1 1.877 0.023 . 1 . . . . A 671 ILE HB . 30162 1 449 . 1 1 42 42 ILE HG21 H 1 0.742 0.023 . 1 . . . . A 671 ILE HG21 . 30162 1 450 . 1 1 42 42 ILE HG22 H 1 0.742 0.023 . 1 . . . . A 671 ILE HG22 . 30162 1 451 . 1 1 42 42 ILE HG23 H 1 0.742 0.023 . 1 . . . . A 671 ILE HG23 . 30162 1 452 . 1 1 42 42 ILE C C 13 177.917 0.125 . 1 . . . . A 671 ILE C . 30162 1 453 . 1 1 42 42 ILE CA C 13 65.549 0.160 . 1 . . . . A 671 ILE CA . 30162 1 454 . 1 1 42 42 ILE CB C 13 38.275 0.138 . 1 . . . . A 671 ILE CB . 30162 1 455 . 1 1 42 42 ILE CG1 C 13 30.035 . . 1 . . . . A 671 ILE CG1 . 30162 1 456 . 1 1 42 42 ILE CG2 C 13 17.844 . . 1 . . . . A 671 ILE CG2 . 30162 1 457 . 1 1 42 42 ILE CD1 C 13 13.420 . . 1 . . . . A 671 ILE CD1 . 30162 1 458 . 1 1 42 42 ILE N N 15 117.113 0.109 . 1 . . . . A 671 ILE N . 30162 1 459 . 1 1 43 43 ALA H H 1 8.319 0.023 . 1 . . . . A 672 ALA H . 30162 1 460 . 1 1 43 43 ALA HA H 1 3.806 0.023 . 1 . . . . A 672 ALA HA . 30162 1 461 . 1 1 43 43 ALA HB1 H 1 1.325 0.023 . 1 . . . . A 672 ALA HB1 . 30162 1 462 . 1 1 43 43 ALA HB2 H 1 1.325 0.023 . 1 . . . . A 672 ALA HB2 . 30162 1 463 . 1 1 43 43 ALA HB3 H 1 1.325 0.023 . 1 . . . . A 672 ALA HB3 . 30162 1 464 . 1 1 43 43 ALA C C 13 178.417 0.125 . 1 . . . . A 672 ALA C . 30162 1 465 . 1 1 43 43 ALA CA C 13 55.460 0.160 . 1 . . . . A 672 ALA CA . 30162 1 466 . 1 1 43 43 ALA CB C 13 18.331 0.138 . 1 . . . . A 672 ALA CB . 30162 1 467 . 1 1 43 43 ALA N N 15 121.366 0.109 . 1 . . . . A 672 ALA N . 30162 1 468 . 1 1 44 44 LYS H H 1 7.837 0.023 . 1 . . . . A 673 LYS H . 30162 1 469 . 1 1 44 44 LYS HA H 1 3.853 0.023 . 1 . . . . A 673 LYS HA . 30162 1 470 . 1 1 44 44 LYS HB2 H 1 1.236 0.023 . 1 . . . . A 673 LYS HB2 . 30162 1 471 . 1 1 44 44 LYS HB3 H 1 1.390 0.023 . 1 . . . . A 673 LYS HB3 . 30162 1 472 . 1 1 44 44 LYS HG2 H 1 0.765 0.023 . 1 . . . . A 673 LYS HG2 . 30162 1 473 . 1 1 44 44 LYS HG3 H 1 0.888 0.023 . 1 . . . . A 673 LYS HG3 . 30162 1 474 . 1 1 44 44 LYS HD2 H 1 1.293 0.023 . 1 . . . . A 673 LYS HD2 . 30162 1 475 . 1 1 44 44 LYS HD3 H 1 1.293 0.023 . 1 . . . . A 673 LYS HD3 . 30162 1 476 . 1 1 44 44 LYS C C 13 177.553 0.125 . 1 . . . . A 673 LYS C . 30162 1 477 . 1 1 44 44 LYS CA C 13 56.925 0.160 . 1 . . . . A 673 LYS CA . 30162 1 478 . 1 1 44 44 LYS CB C 13 31.908 0.138 . 1 . . . . A 673 LYS CB . 30162 1 479 . 1 1 44 44 LYS CG C 13 24.299 . . 1 . . . . A 673 LYS CG . 30162 1 480 . 1 1 44 44 LYS CD C 13 28.258 . . 1 . . . . A 673 LYS CD . 30162 1 481 . 1 1 44 44 LYS N N 15 113.541 0.109 . 1 . . . . A 673 LYS N . 30162 1 482 . 1 1 45 45 PHE H H 1 8.017 0.023 . 1 . . . . A 674 PHE H . 30162 1 483 . 1 1 45 45 PHE HA H 1 4.472 0.023 . 1 . . . . A 674 PHE HA . 30162 1 484 . 1 1 45 45 PHE HB2 H 1 2.888 0.023 . 1 . . . . A 674 PHE HB2 . 30162 1 485 . 1 1 45 45 PHE HB3 H 1 3.075 0.023 . 1 . . . . A 674 PHE HB3 . 30162 1 486 . 1 1 45 45 PHE HD1 H 1 7.313 0.023 . 1 . . . . A 674 PHE HD1 . 30162 1 487 . 1 1 45 45 PHE HD2 H 1 7.048 0.023 . 1 . . . . A 674 PHE HD2 . 30162 1 488 . 1 1 45 45 PHE HE1 H 1 7.140 0.023 . 1 . . . . A 674 PHE HE1 . 30162 1 489 . 1 1 45 45 PHE HZ H 1 6.928 0.023 . 1 . . . . A 674 PHE HZ . 30162 1 490 . 1 1 45 45 PHE C C 13 176.197 0.125 . 1 . . . . A 674 PHE C . 30162 1 491 . 1 1 45 45 PHE CA C 13 59.660 0.160 . 1 . . . . A 674 PHE CA . 30162 1 492 . 1 1 45 45 PHE CB C 13 40.652 0.138 . 1 . . . . A 674 PHE CB . 30162 1 493 . 1 1 45 45 PHE CD1 C 13 132.018 . . 1 . . . . A 674 PHE CD1 . 30162 1 494 . 1 1 45 45 PHE CD2 C 13 130.881 . . 1 . . . . A 674 PHE CD2 . 30162 1 495 . 1 1 45 45 PHE N N 15 114.585 0.109 . 1 . . . . A 674 PHE N . 30162 1 496 . 1 1 46 46 VAL H H 1 7.904 0.023 . 1 . . . . A 675 VAL H . 30162 1 497 . 1 1 46 46 VAL HA H 1 3.846 0.023 . 1 . . . . A 675 VAL HA . 30162 1 498 . 1 1 46 46 VAL HB H 1 1.956 0.023 . 1 . . . . A 675 VAL HB . 30162 1 499 . 1 1 46 46 VAL HG11 H 1 0.727 0.023 . 1 . . . . A 675 VAL HG11 . 30162 1 500 . 1 1 46 46 VAL HG12 H 1 0.727 0.023 . 1 . . . . A 675 VAL HG12 . 30162 1 501 . 1 1 46 46 VAL HG13 H 1 0.727 0.023 . 1 . . . . A 675 VAL HG13 . 30162 1 502 . 1 1 46 46 VAL HG21 H 1 0.424 0.023 . 1 . . . . A 675 VAL HG21 . 30162 1 503 . 1 1 46 46 VAL HG22 H 1 0.424 0.023 . 1 . . . . A 675 VAL HG22 . 30162 1 504 . 1 1 46 46 VAL HG23 H 1 0.424 0.023 . 1 . . . . A 675 VAL HG23 . 30162 1 505 . 1 1 46 46 VAL C C 13 174.797 0.125 . 1 . . . . A 675 VAL C . 30162 1 506 . 1 1 46 46 VAL CA C 13 63.900 0.160 . 1 . . . . A 675 VAL CA . 30162 1 507 . 1 1 46 46 VAL CB C 13 32.676 0.138 . 1 . . . . A 675 VAL CB . 30162 1 508 . 1 1 46 46 VAL CG1 C 13 21.862 . . 1 . . . . A 675 VAL CG1 . 30162 1 509 . 1 1 46 46 VAL N N 15 115.704 0.109 . 1 . . . . A 675 VAL N . 30162 1 510 . 1 1 47 47 PHE H H 1 7.345 0.023 . 1 . . . . A 676 PHE H . 30162 1 511 . 1 1 47 47 PHE HA H 1 4.310 0.023 . 1 . . . . A 676 PHE HA . 30162 1 512 . 1 1 47 47 PHE HB2 H 1 2.884 0.023 . 1 . . . . A 676 PHE HB2 . 30162 1 513 . 1 1 47 47 PHE HB3 H 1 3.148 0.023 . 1 . . . . A 676 PHE HB3 . 30162 1 514 . 1 1 47 47 PHE HD1 H 1 7.243 0.023 . 1 . . . . A 676 PHE HD1 . 30162 1 515 . 1 1 47 47 PHE HE1 H 1 7.059 0.023 . 1 . . . . A 676 PHE HE1 . 30162 1 516 . 1 1 47 47 PHE C C 13 178.780 0.125 . 1 . . . . A 676 PHE C . 30162 1 517 . 1 1 47 47 PHE CA C 13 58.993 0.160 . 1 . . . . A 676 PHE CA . 30162 1 518 . 1 1 47 47 PHE CB C 13 40.426 0.138 . 1 . . . . A 676 PHE CB . 30162 1 519 . 1 1 47 47 PHE CD1 C 13 131.990 . . 1 . . . . A 676 PHE CD1 . 30162 1 520 . 1 1 47 47 PHE N N 15 121.992 0.109 . 1 . . . . A 676 PHE N . 30162 1 stop_ save_