data_34760 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34760 _Entry.Title ; CPSF73 CTD3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-03 _Entry.Accession_date 2022-10-03 _Entry.Last_release_date 2022-11-23 _Entry.Original_release_date 2022-11-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 S. Thore S. . . . 34760 2 C. Mackereth C. . . . 34760 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cleavage and polyadenylation specifity factor' . 34760 'RNA BINDING PROTEIN' . 34760 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34760 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 34760 '15N chemical shifts' 69 34760 '1H chemical shifts' 521 34760 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 . . 2023-12-15 2022-11-23 update BMRB 'update entry citation' 34760 1 . . 2023-04-25 2022-11-23 original author 'original release' 34760 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8B7T 'BMRB Entry Tracking System' 34760 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34760 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37989222 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular details of the CPSF73-CPSF100 C-terminal heterodimer and interaction with Symplekin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Open Biol.' _Citation.Journal_name_full 'Open biology' _Citation.Journal_volume 13 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2046-2441 _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 230221 _Citation.Page_last 230221 _Citation.Year 2023 _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 S. Thore S. . . . 34760 1 2 F. Raoelijaona F. . . . 34760 1 3 V. Talenton V. . . . 34760 1 4 S. Fribourg S. . . . 34760 1 5 C. Mackereth C. . . . 34760 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34760 _Assembly.ID 1 _Assembly.Name CPSF73 _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 unit_1 1 $entity_1 A A yes . . . . . . 34760 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34760 _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 ; GSGLKTKSVRLSKMGKKELL VSVLKNHFMVEKENDDIKVM NGDMMARISGDGVTGDAGIV DKINECIKKIEAIYLRD ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8497.995 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 567 GLY . 34760 1 2 568 SER . 34760 1 3 569 GLY . 34760 1 4 570 LEU . 34760 1 5 571 LYS . 34760 1 6 572 THR . 34760 1 7 573 LYS . 34760 1 8 574 SER . 34760 1 9 575 VAL . 34760 1 10 576 ARG . 34760 1 11 577 LEU . 34760 1 12 578 SER . 34760 1 13 579 LYS . 34760 1 14 580 MET . 34760 1 15 581 GLY . 34760 1 16 582 LYS . 34760 1 17 583 LYS . 34760 1 18 584 GLU . 34760 1 19 585 LEU . 34760 1 20 586 LEU . 34760 1 21 587 VAL . 34760 1 22 588 SER . 34760 1 23 589 VAL . 34760 1 24 590 LEU . 34760 1 25 591 LYS . 34760 1 26 592 ASN . 34760 1 27 593 HIS . 34760 1 28 594 PHE . 34760 1 29 595 MET . 34760 1 30 596 VAL . 34760 1 31 597 GLU . 34760 1 32 598 LYS . 34760 1 33 599 GLU . 34760 1 34 600 ASN . 34760 1 35 601 ASP . 34760 1 36 602 ASP . 34760 1 37 603 ILE . 34760 1 38 604 LYS . 34760 1 39 605 VAL . 34760 1 40 606 MET . 34760 1 41 607 ASN . 34760 1 42 608 GLY . 34760 1 43 609 ASP . 34760 1 44 610 MET . 34760 1 45 611 MET . 34760 1 46 612 ALA . 34760 1 47 613 ARG . 34760 1 48 614 ILE . 34760 1 49 615 SER . 34760 1 50 616 GLY . 34760 1 51 617 ASP . 34760 1 52 618 GLY . 34760 1 53 619 VAL . 34760 1 54 620 THR . 34760 1 55 621 GLY . 34760 1 56 622 ASP . 34760 1 57 623 ALA . 34760 1 58 624 GLY . 34760 1 59 625 ILE . 34760 1 60 626 VAL . 34760 1 61 627 ASP . 34760 1 62 628 LYS . 34760 1 63 629 ILE . 34760 1 64 630 ASN . 34760 1 65 631 GLU . 34760 1 66 632 CYS . 34760 1 67 633 ILE . 34760 1 68 634 LYS . 34760 1 69 635 LYS . 34760 1 70 636 ILE . 34760 1 71 637 GLU . 34760 1 72 638 ALA . 34760 1 73 639 ILE . 34760 1 74 640 TYR . 34760 1 75 641 LEU . 34760 1 76 642 ARG . 34760 1 77 643 ASP . 34760 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 34760 1 . SER 2 2 34760 1 . GLY 3 3 34760 1 . LEU 4 4 34760 1 . LYS 5 5 34760 1 . THR 6 6 34760 1 . LYS 7 7 34760 1 . SER 8 8 34760 1 . VAL 9 9 34760 1 . ARG 10 10 34760 1 . LEU 11 11 34760 1 . SER 12 12 34760 1 . LYS 13 13 34760 1 . MET 14 14 34760 1 . GLY 15 15 34760 1 . LYS 16 16 34760 1 . LYS 17 17 34760 1 . GLU 18 18 34760 1 . LEU 19 19 34760 1 . LEU 20 20 34760 1 . VAL 21 21 34760 1 . SER 22 22 34760 1 . VAL 23 23 34760 1 . LEU 24 24 34760 1 . LYS 25 25 34760 1 . ASN 26 26 34760 1 . HIS 27 27 34760 1 . PHE 28 28 34760 1 . MET 29 29 34760 1 . VAL 30 30 34760 1 . GLU 31 31 34760 1 . LYS 32 32 34760 1 . GLU 33 33 34760 1 . ASN 34 34 34760 1 . ASP 35 35 34760 1 . ASP 36 36 34760 1 . ILE 37 37 34760 1 . LYS 38 38 34760 1 . VAL 39 39 34760 1 . MET 40 40 34760 1 . ASN 41 41 34760 1 . GLY 42 42 34760 1 . ASP 43 43 34760 1 . MET 44 44 34760 1 . MET 45 45 34760 1 . ALA 46 46 34760 1 . ARG 47 47 34760 1 . ILE 48 48 34760 1 . SER 49 49 34760 1 . GLY 50 50 34760 1 . ASP 51 51 34760 1 . GLY 52 52 34760 1 . VAL 53 53 34760 1 . THR 54 54 34760 1 . GLY 55 55 34760 1 . ASP 56 56 34760 1 . ALA 57 57 34760 1 . GLY 58 58 34760 1 . ILE 59 59 34760 1 . VAL 60 60 34760 1 . ASP 61 61 34760 1 . LYS 62 62 34760 1 . ILE 63 63 34760 1 . ASN 64 64 34760 1 . GLU 65 65 34760 1 . CYS 66 66 34760 1 . ILE 67 67 34760 1 . LYS 68 68 34760 1 . LYS 69 69 34760 1 . ILE 70 70 34760 1 . GLU 71 71 34760 1 . ALA 72 72 34760 1 . ILE 73 73 34760 1 . TYR 74 74 34760 1 . LEU 75 75 34760 1 . ARG 76 76 34760 1 . ASP 77 77 34760 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 34760 _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 . 6035 organism . 'Encephalitozoon cuniculi' 'Encephalitozoon cuniculi' . . Eukaryota Fungi Encephalitozoon cuniculi GB-M1 . . . . . . . . . . ECU10_0900 . 34760 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 34760 _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 . . lysY . . . . . pET-MCN . . . 34760 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34760 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-13C; U-15N] CPSF73, 20 mM TRIS, 150 mM sodium chloride, 2 mM DTT, 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 CPSF73 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 800 . . uM . . . . 34760 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34760 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34760 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34760 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34760 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-13C; U-15N] CPSF73, 20 mM TRIS, 150 mM sodium chloride, 2 mM DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 CPSF73 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 800 . . uM . . . . 34760 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34760 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34760 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34760 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34760 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM CPSF73, 20 mM TRIS, 150 mM sodium chloride, 2 mM DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 CPSF73 'natural abundance' 1 $assembly 1 $entity_1 . . 800 . . uM . . . . 34760 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34760 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34760 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34760 3 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 34760 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 34760 1 pH 7.5 . pH 34760 1 pressure 1 . atm 34760 1 temperature 298 . K 34760 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34760 _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' . . 34760 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34760 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34760 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34760 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34760 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34760 _Software.ID 3 _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 . . 34760 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34760 3 'peak picking' . 34760 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34760 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34760 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34760 4 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 34760 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34760 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34760 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 'AVANCE NEO' . 800 . . . 34760 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 700 . . . 34760 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 34760 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 34760 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 3 '2D 1H-13C HSQC methyl' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34760 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34760 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34760 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34760 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34760 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 10 '3D HA(CACO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 12 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 13 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 17 '2D DQF-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 1 18 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34760 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 34760 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.251449530 . . . . . 34760 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 34760 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34760 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 34760 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 34760 1 2 '2D 1H-13C HSQC' . . . 34760 1 3 '2D 1H-13C HSQC methyl' . . . 34760 1 4 '3D HNCO' . . . 34760 1 5 '3D HN(CA)CO' . . . 34760 1 6 '3D HNCA' . . . 34760 1 7 '3D HNCACB' . . . 34760 1 8 '3D CBCA(CO)NH' . . . 34760 1 9 '3D HNHA' . . . 34760 1 10 '3D HA(CACO)NH' . . . 34760 1 11 '3D HCCH-TOCSY' . . . 34760 1 12 '3D H(CCO)NH' . . . 34760 1 13 '3D H(CCO)NH' . . . 34760 1 14 '3D 1H-15N NOESY' . . . 34760 1 15 '3D 1H-13C NOESY' . . . 34760 1 16 '2D 1H-1H TOCSY' . . . 34760 1 17 '2D DQF-COSY' . . . 34760 1 18 '2D 1H-1H NOESY' . . . 34760 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 HA2 H 1 3.99 0.02 . 2 . . . . A 567 GLY HA2 . 34760 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.99 0.02 . 2 . . . . A 567 GLY HA3 . 34760 1 3 . 1 . 1 1 1 GLY C C 13 175.023 0.2 . 1 . . . . A 567 GLY C . 34760 1 4 . 1 . 1 1 1 GLY CA C 13 45.712 0.2 . 1 . . . . A 567 GLY CA . 34760 1 5 . 1 . 1 2 2 SER H H 1 8.281 0.02 . 1 . . . . A 568 SER H . 34760 1 6 . 1 . 1 2 2 SER HB2 H 1 3.914 0.02 . 2 . . . . A 568 SER HB2 . 34760 1 7 . 1 . 1 2 2 SER HB3 H 1 3.914 0.02 . 2 . . . . A 568 SER HB3 . 34760 1 8 . 1 . 1 2 2 SER CA C 13 58.674 0.2 . 1 . . . . A 568 SER CA . 34760 1 9 . 1 . 1 2 2 SER CB C 13 64.229 0.2 . 1 . . . . A 568 SER CB . 34760 1 10 . 1 . 1 2 2 SER N N 15 121.391 0.2 . 1 . . . . A 568 SER N . 34760 1 11 . 1 . 1 3 3 GLY HA2 H 1 3.998 0.02 . 2 . . . . A 569 GLY HA2 . 34760 1 12 . 1 . 1 3 3 GLY HA3 H 1 3.998 0.02 . 2 . . . . A 569 GLY HA3 . 34760 1 13 . 1 . 1 3 3 GLY C C 13 174.017 0.2 . 1 . . . . A 569 GLY C . 34760 1 14 . 1 . 1 3 3 GLY CA C 13 45.343 0.2 . 1 . . . . A 569 GLY CA . 34760 1 15 . 1 . 1 4 4 LEU H H 1 8.135 0.02 . 1 . . . . A 570 LEU H . 34760 1 16 . 1 . 1 4 4 LEU C C 13 177.608 0.2 . 1 . . . . A 570 LEU C . 34760 1 17 . 1 . 1 4 4 LEU CA C 13 55.336 0.2 . 1 . . . . A 570 LEU CA . 34760 1 18 . 1 . 1 4 4 LEU CB C 13 42.527 0.2 . 1 . . . . A 570 LEU CB . 34760 1 19 . 1 . 1 4 4 LEU N N 15 121.779 0.2 . 1 . . . . A 570 LEU N . 34760 1 20 . 1 . 1 5 5 LYS HA H 1 4.46 0.02 . 1 . . . . A 571 LYS HA . 34760 1 21 . 1 . 1 5 5 LYS HB2 H 1 1.894 0.02 . 2 . . . . A 571 LYS HB2 . 34760 1 22 . 1 . 1 5 5 LYS HB3 H 1 1.809 0.02 . 2 . . . . A 571 LYS HB3 . 34760 1 23 . 1 . 1 5 5 LYS HG2 H 1 1.489 0.02 . 2 . . . . A 571 LYS HG2 . 34760 1 24 . 1 . 1 5 5 LYS HG3 H 1 1.489 0.02 . 2 . . . . A 571 LYS HG3 . 34760 1 25 . 1 . 1 5 5 LYS HE2 H 1 3.04 0.02 . 2 . . . . A 571 LYS HE2 . 34760 1 26 . 1 . 1 5 5 LYS HE3 H 1 3.04 0.02 . 2 . . . . A 571 LYS HE3 . 34760 1 27 . 1 . 1 5 5 LYS C C 13 176.698 0.2 . 1 . . . . A 571 LYS C . 34760 1 28 . 1 . 1 5 5 LYS CA C 13 56.336 0.2 . 1 . . . . A 571 LYS CA . 34760 1 29 . 1 . 1 5 5 LYS CB C 13 33.403 0.2 . 1 . . . . A 571 LYS CB . 34760 1 30 . 1 . 1 5 5 LYS CG C 13 24.914 0.2 . 1 . . . . A 571 LYS CG . 34760 1 31 . 1 . 1 5 5 LYS CD C 13 29.099 0.2 . 1 . . . . A 571 LYS CD . 34760 1 32 . 1 . 1 5 5 LYS CE C 13 42.173 0.2 . 1 . . . . A 571 LYS CE . 34760 1 33 . 1 . 1 6 6 THR H H 1 8.051 0.02 . 1 . . . . A 572 THR H . 34760 1 34 . 1 . 1 6 6 THR HA H 1 4.481 0.02 . 1 . . . . A 572 THR HA . 34760 1 35 . 1 . 1 6 6 THR HB H 1 4.162 0.02 . 1 . . . . A 572 THR HB . 34760 1 36 . 1 . 1 6 6 THR HG21 H 1 1.192 0.02 . 1 . . . . A 572 THR HG21 . 34760 1 37 . 1 . 1 6 6 THR HG22 H 1 1.192 0.02 . 1 . . . . A 572 THR HG22 . 34760 1 38 . 1 . 1 6 6 THR HG23 H 1 1.192 0.02 . 1 . . . . A 572 THR HG23 . 34760 1 39 . 1 . 1 6 6 THR C C 13 174.181 0.2 . 1 . . . . A 572 THR C . 34760 1 40 . 1 . 1 6 6 THR CA C 13 61.574 0.2 . 1 . . . . A 572 THR CA . 34760 1 41 . 1 . 1 6 6 THR CB C 13 70.057 0.2 . 1 . . . . A 572 THR CB . 34760 1 42 . 1 . 1 6 6 THR CG2 C 13 21.713 0.2 . 1 . . . . A 572 THR CG2 . 34760 1 43 . 1 . 1 6 6 THR N N 15 115.695 0.2 . 1 . . . . A 572 THR N . 34760 1 44 . 1 . 1 8 8 SER HB2 H 1 3.838 0.02 . 1 . . . . A 574 SER HB2 . 34760 1 45 . 1 . 1 8 8 SER HB3 H 1 3.838 0.02 . 1 . . . . A 574 SER HB3 . 34760 1 46 . 1 . 1 8 8 SER C C 13 174.401 0.2 . 1 . . . . A 574 SER C . 34760 1 47 . 1 . 1 8 8 SER CA C 13 57.946 0.2 . 1 . . . . A 574 SER CA . 34760 1 48 . 1 . 1 8 8 SER CB C 13 64.307 0.2 . 1 . . . . A 574 SER CB . 34760 1 49 . 1 . 1 9 9 VAL H H 1 8.375 0.02 . 1 . . . . A 575 VAL H . 34760 1 50 . 1 . 1 9 9 VAL HA H 1 4.266 0.02 . 1 . . . . A 575 VAL HA . 34760 1 51 . 1 . 1 9 9 VAL HB H 1 2.089 0.02 . 1 . . . . A 575 VAL HB . 34760 1 52 . 1 . 1 9 9 VAL HG11 H 1 0.947 0.02 . 4 . . . . A 575 VAL HG11 . 34760 1 53 . 1 . 1 9 9 VAL HG12 H 1 0.947 0.02 . 4 . . . . A 575 VAL HG12 . 34760 1 54 . 1 . 1 9 9 VAL HG13 H 1 0.947 0.02 . 4 . . . . A 575 VAL HG13 . 34760 1 55 . 1 . 1 9 9 VAL HG21 H 1 0.906 0.02 . 4 . . . . A 575 VAL HG21 . 34760 1 56 . 1 . 1 9 9 VAL HG22 H 1 0.906 0.02 . 4 . . . . A 575 VAL HG22 . 34760 1 57 . 1 . 1 9 9 VAL HG23 H 1 0.906 0.02 . 4 . . . . A 575 VAL HG23 . 34760 1 58 . 1 . 1 9 9 VAL C C 13 175.548 0.2 . 1 . . . . A 575 VAL C . 34760 1 59 . 1 . 1 9 9 VAL CA C 13 61.901 0.2 . 1 . . . . A 575 VAL CA . 34760 1 60 . 1 . 1 9 9 VAL CB C 13 33.525 0.2 . 1 . . . . A 575 VAL CB . 34760 1 61 . 1 . 1 9 9 VAL CG1 C 13 21.329 0.2 . 4 . . . . A 575 VAL CG1 . 34760 1 62 . 1 . 1 9 9 VAL CG2 C 13 20.575 0.2 . 4 . . . . A 575 VAL CG2 . 34760 1 63 . 1 . 1 9 9 VAL N N 15 122.228 0.2 . 1 . . . . A 575 VAL N . 34760 1 64 . 1 . 1 10 10 ARG H H 1 8.407 0.02 . 1 . . . . A 576 ARG H . 34760 1 65 . 1 . 1 10 10 ARG HA H 1 4.497 0.02 . 1 . . . . A 576 ARG HA . 34760 1 66 . 1 . 1 10 10 ARG HB2 H 1 1.836 0.02 . 1 . . . . A 576 ARG HB2 . 34760 1 67 . 1 . 1 10 10 ARG HB3 H 1 1.836 0.02 . 1 . . . . A 576 ARG HB3 . 34760 1 68 . 1 . 1 10 10 ARG HG2 H 1 1.648 0.02 . 1 . . . . A 576 ARG HG2 . 34760 1 69 . 1 . 1 10 10 ARG HG3 H 1 1.648 0.02 . 1 . . . . A 576 ARG HG3 . 34760 1 70 . 1 . 1 10 10 ARG HD2 H 1 3.216 0.02 . 1 . . . . A 576 ARG HD2 . 34760 1 71 . 1 . 1 10 10 ARG HD3 H 1 3.216 0.02 . 1 . . . . A 576 ARG HD3 . 34760 1 72 . 1 . 1 10 10 ARG C C 13 176.276 0.2 . 1 . . . . A 576 ARG C . 34760 1 73 . 1 . 1 10 10 ARG CA C 13 55.943 0.2 . 1 . . . . A 576 ARG CA . 34760 1 74 . 1 . 1 10 10 ARG CB C 13 30.957 0.2 . 1 . . . . A 576 ARG CB . 34760 1 75 . 1 . 1 10 10 ARG CG C 13 27.169 0.2 . 1 . . . . A 576 ARG CG . 34760 1 76 . 1 . 1 10 10 ARG CD C 13 43.322 0.2 . 1 . . . . A 576 ARG CD . 34760 1 77 . 1 . 1 10 10 ARG N N 15 124.441 0.2 . 1 . . . . A 576 ARG N . 34760 1 78 . 1 . 1 11 11 LEU H H 1 8.353 0.02 . 1 . . . . A 577 LEU H . 34760 1 79 . 1 . 1 11 11 LEU HA H 1 4.403 0.02 . 1 . . . . A 577 LEU HA . 34760 1 80 . 1 . 1 11 11 LEU HB2 H 1 1.555 0.02 . 1 . . . . A 577 LEU HB2 . 34760 1 81 . 1 . 1 11 11 LEU HB3 H 1 1.555 0.02 . 1 . . . . A 577 LEU HB3 . 34760 1 82 . 1 . 1 11 11 LEU HD11 H 1 0.819 0.02 . 4 . . . . A 577 LEU HD11 . 34760 1 83 . 1 . 1 11 11 LEU HD12 H 1 0.819 0.02 . 4 . . . . A 577 LEU HD12 . 34760 1 84 . 1 . 1 11 11 LEU HD13 H 1 0.819 0.02 . 4 . . . . A 577 LEU HD13 . 34760 1 85 . 1 . 1 11 11 LEU HD21 H 1 0.78 0.02 . 4 . . . . A 577 LEU HD21 . 34760 1 86 . 1 . 1 11 11 LEU HD22 H 1 0.78 0.02 . 4 . . . . A 577 LEU HD22 . 34760 1 87 . 1 . 1 11 11 LEU HD23 H 1 0.78 0.02 . 4 . . . . A 577 LEU HD23 . 34760 1 88 . 1 . 1 11 11 LEU C C 13 177.147 0.2 . 1 . . . . A 577 LEU C . 34760 1 89 . 1 . 1 11 11 LEU CA C 13 54.93 0.2 . 1 . . . . A 577 LEU CA . 34760 1 90 . 1 . 1 11 11 LEU CB C 13 42.916 0.2 . 1 . . . . A 577 LEU CB . 34760 1 91 . 1 . 1 11 11 LEU CG C 13 26.947 0.2 . 1 . . . . A 577 LEU CG . 34760 1 92 . 1 . 1 11 11 LEU CD1 C 13 25.094 0.2 . 4 . . . . A 577 LEU CD1 . 34760 1 93 . 1 . 1 11 11 LEU CD2 C 13 23.759 0.2 . 4 . . . . A 577 LEU CD2 . 34760 1 94 . 1 . 1 11 11 LEU N N 15 123.82 0.2 . 1 . . . . A 577 LEU N . 34760 1 95 . 1 . 1 12 12 SER HA H 1 4.403 0.02 . 1 . . . . A 578 SER HA . 34760 1 96 . 1 . 1 12 12 SER HB2 H 1 3.923 0.02 . 2 . . . . A 578 SER HB2 . 34760 1 97 . 1 . 1 12 12 SER HB3 H 1 4.035 0.02 . 2 . . . . A 578 SER HB3 . 34760 1 98 . 1 . 1 12 12 SER CA C 13 58.436 0.2 . 1 . . . . A 578 SER CA . 34760 1 99 . 1 . 1 12 12 SER CB C 13 64.138 0.2 . 1 . . . . A 578 SER CB . 34760 1 100 . 1 . 1 13 13 LYS HA H 1 4.248 0.02 . 1 . . . . A 579 LYS HA . 34760 1 101 . 1 . 1 13 13 LYS CA C 13 57.253 0.2 . 1 . . . . A 579 LYS CA . 34760 1 102 . 1 . 1 13 13 LYS CB C 13 32.35 0.2 . 1 . . . . A 579 LYS CB . 34760 1 103 . 1 . 1 14 14 MET HA H 1 4.395 0.02 . 1 . . . . A 580 MET HA . 34760 1 104 . 1 . 1 14 14 MET HB2 H 1 2.068 0.02 . 1 . . . . A 580 MET HB2 . 34760 1 105 . 1 . 1 14 14 MET HB3 H 1 2.068 0.02 . 1 . . . . A 580 MET HB3 . 34760 1 106 . 1 . 1 14 14 MET HG2 H 1 2.622 0.02 . 2 . . . . A 580 MET HG2 . 34760 1 107 . 1 . 1 14 14 MET HG3 H 1 2.558 0.02 . 2 . . . . A 580 MET HG3 . 34760 1 108 . 1 . 1 14 14 MET HE1 H 1 2.079 0.02 . 1 . . . . A 580 MET HE1 . 34760 1 109 . 1 . 1 14 14 MET HE2 H 1 2.079 0.02 . 1 . . . . A 580 MET HE2 . 34760 1 110 . 1 . 1 14 14 MET HE3 H 1 2.079 0.02 . 1 . . . . A 580 MET HE3 . 34760 1 111 . 1 . 1 14 14 MET C C 13 177.209 0.2 . 1 . . . . A 580 MET C . 34760 1 112 . 1 . 1 14 14 MET CA C 13 56.61 0.2 . 1 . . . . A 580 MET CA . 34760 1 113 . 1 . 1 14 14 MET CB C 13 32.91 0.2 . 1 . . . . A 580 MET CB . 34760 1 114 . 1 . 1 14 14 MET CG C 13 32.269 0.2 . 1 . . . . A 580 MET CG . 34760 1 115 . 1 . 1 14 14 MET CE C 13 17.174 0.2 . 1 . . . . A 580 MET CE . 34760 1 116 . 1 . 1 15 15 GLY H H 1 8.458 0.02 . 1 . . . . A 581 GLY H . 34760 1 117 . 1 . 1 15 15 GLY HA2 H 1 4.045 0.02 . 2 . . . . A 581 GLY HA2 . 34760 1 118 . 1 . 1 15 15 GLY HA3 H 1 3.911 0.02 . 2 . . . . A 581 GLY HA3 . 34760 1 119 . 1 . 1 15 15 GLY CA C 13 45.622 0.2 . 1 . . . . A 581 GLY CA . 34760 1 120 . 1 . 1 15 15 GLY N N 15 110.396 0.2 . 1 . . . . A 581 GLY N . 34760 1 121 . 1 . 1 16 16 LYS HA H 1 4.026 0.02 . 1 . . . . A 582 LYS HA . 34760 1 122 . 1 . 1 16 16 LYS HB2 H 1 1.812 0.02 . 2 . . . . A 582 LYS HB2 . 34760 1 123 . 1 . 1 16 16 LYS HB3 H 1 1.703 0.02 . 2 . . . . A 582 LYS HB3 . 34760 1 124 . 1 . 1 16 16 LYS HG2 H 1 1.303 0.02 . 2 . . . . A 582 LYS HG2 . 34760 1 125 . 1 . 1 16 16 LYS HG3 H 1 1.204 0.02 . 2 . . . . A 582 LYS HG3 . 34760 1 126 . 1 . 1 16 16 LYS HD2 H 1 1.598 0.02 . 1 . . . . A 582 LYS HD2 . 34760 1 127 . 1 . 1 16 16 LYS HD3 H 1 1.598 0.02 . 1 . . . . A 582 LYS HD3 . 34760 1 128 . 1 . 1 16 16 LYS HE2 H 1 2.773 0.02 . 1 . . . . A 582 LYS HE2 . 34760 1 129 . 1 . 1 16 16 LYS HE3 H 1 2.773 0.02 . 1 . . . . A 582 LYS HE3 . 34760 1 130 . 1 . 1 16 16 LYS CA C 13 58.895 0.2 . 1 . . . . A 582 LYS CA . 34760 1 131 . 1 . 1 16 16 LYS CB C 13 32.456 0.2 . 1 . . . . A 582 LYS CB . 34760 1 132 . 1 . 1 16 16 LYS CG C 13 25.492 0.2 . 1 . . . . A 582 LYS CG . 34760 1 133 . 1 . 1 16 16 LYS CD C 13 29.57 0.2 . 1 . . . . A 582 LYS CD . 34760 1 134 . 1 . 1 16 16 LYS CE C 13 41.95 0.2 . 1 . . . . A 582 LYS CE . 34760 1 135 . 1 . 1 17 17 LYS HA H 1 3.93 0.02 . 1 . . . . A 583 LYS HA . 34760 1 136 . 1 . 1 17 17 LYS HB2 H 1 1.846 0.02 . 2 . . . . A 583 LYS HB2 . 34760 1 137 . 1 . 1 17 17 LYS HB3 H 1 1.917 0.02 . 2 . . . . A 583 LYS HB3 . 34760 1 138 . 1 . 1 17 17 LYS HG2 H 1 1.386 0.02 . 2 . . . . A 583 LYS HG2 . 34760 1 139 . 1 . 1 17 17 LYS HG3 H 1 1.469 0.02 . 2 . . . . A 583 LYS HG3 . 34760 1 140 . 1 . 1 17 17 LYS HD2 H 1 1.693 0.02 . 1 . . . . A 583 LYS HD2 . 34760 1 141 . 1 . 1 17 17 LYS HD3 H 1 1.693 0.02 . 1 . . . . A 583 LYS HD3 . 34760 1 142 . 1 . 1 17 17 LYS HE2 H 1 2.906 0.02 . 1 . . . . A 583 LYS HE2 . 34760 1 143 . 1 . 1 17 17 LYS HE3 H 1 2.906 0.02 . 1 . . . . A 583 LYS HE3 . 34760 1 144 . 1 . 1 17 17 LYS CA C 13 59.963 0.2 . 1 . . . . A 583 LYS CA . 34760 1 145 . 1 . 1 17 17 LYS CB C 13 32.118 0.2 . 1 . . . . A 583 LYS CB . 34760 1 146 . 1 . 1 17 17 LYS CG C 13 25.324 0.2 . 1 . . . . A 583 LYS CG . 34760 1 147 . 1 . 1 17 17 LYS CD C 13 29.415 0.2 . 1 . . . . A 583 LYS CD . 34760 1 148 . 1 . 1 17 17 LYS CE C 13 41.988 0.2 . 1 . . . . A 583 LYS CE . 34760 1 149 . 1 . 1 18 18 GLU H H 1 8.269 0.02 . 1 . . . . A 584 GLU H . 34760 1 150 . 1 . 1 18 18 GLU HA H 1 4.01 0.02 . 1 . . . . A 584 GLU HA . 34760 1 151 . 1 . 1 18 18 GLU HB2 H 1 2.058 0.02 . 1 . . . . A 584 GLU HB2 . 34760 1 152 . 1 . 1 18 18 GLU HB3 H 1 2.058 0.02 . 1 . . . . A 584 GLU HB3 . 34760 1 153 . 1 . 1 18 18 GLU HG2 H 1 2.361 0.02 . 1 . . . . A 584 GLU HG2 . 34760 1 154 . 1 . 1 18 18 GLU HG3 H 1 2.361 0.02 . 1 . . . . A 584 GLU HG3 . 34760 1 155 . 1 . 1 18 18 GLU C C 13 179.681 0.2 . 1 . . . . A 584 GLU C . 34760 1 156 . 1 . 1 18 18 GLU CA C 13 59.675 0.2 . 1 . . . . A 584 GLU CA . 34760 1 157 . 1 . 1 18 18 GLU CB C 13 28.957 0.2 . 1 . . . . A 584 GLU CB . 34760 1 158 . 1 . 1 18 18 GLU CG C 13 36.794 0.2 . 1 . . . . A 584 GLU CG . 34760 1 159 . 1 . 1 18 18 GLU N N 15 118.182 0.2 . 1 . . . . A 584 GLU N . 34760 1 160 . 1 . 1 19 19 LEU H H 1 7.919 0.02 . 1 . . . . A 585 LEU H . 34760 1 161 . 1 . 1 19 19 LEU HA H 1 4.19 0.02 . 1 . . . . A 585 LEU HA . 34760 1 162 . 1 . 1 19 19 LEU HB2 H 1 1.716 0.02 . 1 . . . . A 585 LEU HB2 . 34760 1 163 . 1 . 1 19 19 LEU HB3 H 1 1.716 0.02 . 1 . . . . A 585 LEU HB3 . 34760 1 164 . 1 . 1 19 19 LEU HG H 1 1.605 0.02 . 1 . . . . A 585 LEU HG . 34760 1 165 . 1 . 1 19 19 LEU HD11 H 1 0.926 0.02 . 4 . . . . A 585 LEU HD11 . 34760 1 166 . 1 . 1 19 19 LEU HD12 H 1 0.926 0.02 . 4 . . . . A 585 LEU HD12 . 34760 1 167 . 1 . 1 19 19 LEU HD13 H 1 0.926 0.02 . 4 . . . . A 585 LEU HD13 . 34760 1 168 . 1 . 1 19 19 LEU HD21 H 1 0.907 0.02 . 4 . . . . A 585 LEU HD21 . 34760 1 169 . 1 . 1 19 19 LEU HD22 H 1 0.907 0.02 . 4 . . . . A 585 LEU HD22 . 34760 1 170 . 1 . 1 19 19 LEU HD23 H 1 0.907 0.02 . 4 . . . . A 585 LEU HD23 . 34760 1 171 . 1 . 1 19 19 LEU C C 13 178.678 0.2 . 1 . . . . A 585 LEU C . 34760 1 172 . 1 . 1 19 19 LEU CA C 13 57.627 0.2 . 1 . . . . A 585 LEU CA . 34760 1 173 . 1 . 1 19 19 LEU CB C 13 41.936 0.2 . 1 . . . . A 585 LEU CB . 34760 1 174 . 1 . 1 19 19 LEU CG C 13 27.098 0.2 . 1 . . . . A 585 LEU CG . 34760 1 175 . 1 . 1 19 19 LEU CD1 C 13 25.12 0.2 . 4 . . . . A 585 LEU CD1 . 34760 1 176 . 1 . 1 19 19 LEU CD2 C 13 23.988 0.2 . 4 . . . . A 585 LEU CD2 . 34760 1 177 . 1 . 1 19 19 LEU N N 15 121.664 0.2 . 1 . . . . A 585 LEU N . 34760 1 178 . 1 . 1 20 20 LEU H H 1 8.023 0.02 . 1 . . . . A 586 LEU H . 34760 1 179 . 1 . 1 20 20 LEU HA H 1 3.954 0.02 . 1 . . . . A 586 LEU HA . 34760 1 180 . 1 . 1 20 20 LEU HB2 H 1 1.56 0.02 . 1 . . . . A 586 LEU HB2 . 34760 1 181 . 1 . 1 20 20 LEU HB3 H 1 2.11 0.02 . 1 . . . . A 586 LEU HB3 . 34760 1 182 . 1 . 1 20 20 LEU HG H 1 1.51 0.02 . 1 . . . . A 586 LEU HG . 34760 1 183 . 1 . 1 20 20 LEU HD11 H 1 0.872 0.02 . 4 . . . . A 586 LEU HD11 . 34760 1 184 . 1 . 1 20 20 LEU HD12 H 1 0.872 0.02 . 4 . . . . A 586 LEU HD12 . 34760 1 185 . 1 . 1 20 20 LEU HD13 H 1 0.872 0.02 . 4 . . . . A 586 LEU HD13 . 34760 1 186 . 1 . 1 20 20 LEU HD21 H 1 0.904 0.02 . 4 . . . . A 586 LEU HD21 . 34760 1 187 . 1 . 1 20 20 LEU HD22 H 1 0.904 0.02 . 4 . . . . A 586 LEU HD22 . 34760 1 188 . 1 . 1 20 20 LEU HD23 H 1 0.904 0.02 . 4 . . . . A 586 LEU HD23 . 34760 1 189 . 1 . 1 20 20 LEU C C 13 178.146 0.2 . 1 . . . . A 586 LEU C . 34760 1 190 . 1 . 1 20 20 LEU CA C 13 58.314 0.2 . 1 . . . . A 586 LEU CA . 34760 1 191 . 1 . 1 20 20 LEU CB C 13 41.408 0.2 . 1 . . . . A 586 LEU CB . 34760 1 192 . 1 . 1 20 20 LEU CG C 13 27.151 0.2 . 1 . . . . A 586 LEU CG . 34760 1 193 . 1 . 1 20 20 LEU CD1 C 13 25.83 0.2 . 4 . . . . A 586 LEU CD1 . 34760 1 194 . 1 . 1 20 20 LEU CD2 C 13 24.095 0.2 . 4 . . . . A 586 LEU CD2 . 34760 1 195 . 1 . 1 20 20 LEU N N 15 120.166 0.2 . 1 . . . . A 586 LEU N . 34760 1 196 . 1 . 1 21 21 VAL H H 1 8.257 0.02 . 1 . . . . A 587 VAL H . 34760 1 197 . 1 . 1 21 21 VAL HA H 1 3.393 0.02 . 1 . . . . A 587 VAL HA . 34760 1 198 . 1 . 1 21 21 VAL HB H 1 2.192 0.02 . 1 . . . . A 587 VAL HB . 34760 1 199 . 1 . 1 21 21 VAL HG11 H 1 1.048 0.02 . 4 . . . . A 587 VAL HG11 . 34760 1 200 . 1 . 1 21 21 VAL HG12 H 1 1.048 0.02 . 4 . . . . A 587 VAL HG12 . 34760 1 201 . 1 . 1 21 21 VAL HG13 H 1 1.048 0.02 . 4 . . . . A 587 VAL HG13 . 34760 1 202 . 1 . 1 21 21 VAL HG21 H 1 0.944 0.02 . 4 . . . . A 587 VAL HG21 . 34760 1 203 . 1 . 1 21 21 VAL HG22 H 1 0.944 0.02 . 4 . . . . A 587 VAL HG22 . 34760 1 204 . 1 . 1 21 21 VAL HG23 H 1 0.944 0.02 . 4 . . . . A 587 VAL HG23 . 34760 1 205 . 1 . 1 21 21 VAL C C 13 176.797 0.2 . 1 . . . . A 587 VAL C . 34760 1 206 . 1 . 1 21 21 VAL CA C 13 68.086 0.2 . 1 . . . . A 587 VAL CA . 34760 1 207 . 1 . 1 21 21 VAL CB C 13 31.587 0.2 . 1 . . . . A 587 VAL CB . 34760 1 208 . 1 . 1 21 21 VAL CG1 C 13 23.563 0.2 . 4 . . . . A 587 VAL CG1 . 34760 1 209 . 1 . 1 21 21 VAL CG2 C 13 21.787 0.2 . 4 . . . . A 587 VAL CG2 . 34760 1 210 . 1 . 1 21 21 VAL N N 15 117.952 0.2 . 1 . . . . A 587 VAL N . 34760 1 211 . 1 . 1 22 22 SER H H 1 7.746 0.02 . 1 . . . . A 588 SER H . 34760 1 212 . 1 . 1 22 22 SER HA H 1 4.119 0.02 . 1 . . . . A 588 SER HA . 34760 1 213 . 1 . 1 22 22 SER HB2 H 1 4.046 0.02 . 1 . . . . A 588 SER HB2 . 34760 1 214 . 1 . 1 22 22 SER HB3 H 1 4.046 0.02 . 1 . . . . A 588 SER HB3 . 34760 1 215 . 1 . 1 22 22 SER C C 13 176.669 0.2 . 1 . . . . A 588 SER C . 34760 1 216 . 1 . 1 22 22 SER CA C 13 62.197 0.2 . 1 . . . . A 588 SER CA . 34760 1 217 . 1 . 1 22 22 SER CB C 13 63.146 0.2 . 1 . . . . A 588 SER CB . 34760 1 218 . 1 . 1 22 22 SER N N 15 113.216 0.2 . 1 . . . . A 588 SER N . 34760 1 219 . 1 . 1 23 23 VAL H H 1 8.024 0.02 . 1 . . . . A 589 VAL H . 34760 1 220 . 1 . 1 23 23 VAL HA H 1 3.921 0.02 . 1 . . . . A 589 VAL HA . 34760 1 221 . 1 . 1 23 23 VAL HB H 1 2.235 0.02 . 1 . . . . A 589 VAL HB . 34760 1 222 . 1 . 1 23 23 VAL HG11 H 1 1.103 0.02 . 4 . . . . A 589 VAL HG11 . 34760 1 223 . 1 . 1 23 23 VAL HG12 H 1 1.103 0.02 . 4 . . . . A 589 VAL HG12 . 34760 1 224 . 1 . 1 23 23 VAL HG13 H 1 1.103 0.02 . 4 . . . . A 589 VAL HG13 . 34760 1 225 . 1 . 1 23 23 VAL HG21 H 1 1.109 0.02 . 4 . . . . A 589 VAL HG21 . 34760 1 226 . 1 . 1 23 23 VAL HG22 H 1 1.109 0.02 . 4 . . . . A 589 VAL HG22 . 34760 1 227 . 1 . 1 23 23 VAL HG23 H 1 1.109 0.02 . 4 . . . . A 589 VAL HG23 . 34760 1 228 . 1 . 1 23 23 VAL C C 13 179.514 0.2 . 1 . . . . A 589 VAL C . 34760 1 229 . 1 . 1 23 23 VAL CA C 13 65.675 0.2 . 1 . . . . A 589 VAL CA . 34760 1 230 . 1 . 1 23 23 VAL CB C 13 32.114 0.2 . 1 . . . . A 589 VAL CB . 34760 1 231 . 1 . 1 23 23 VAL CG1 C 13 22.299 0.2 . 4 . . . . A 589 VAL CG1 . 34760 1 232 . 1 . 1 23 23 VAL CG2 C 13 21.597 0.2 . 4 . . . . A 589 VAL CG2 . 34760 1 233 . 1 . 1 23 23 VAL N N 15 120.333 0.2 . 1 . . . . A 589 VAL N . 34760 1 234 . 1 . 1 24 24 LEU H H 1 8.73 0.02 . 1 . . . . A 590 LEU H . 34760 1 235 . 1 . 1 24 24 LEU HA H 1 4.254 0.02 . 1 . . . . A 590 LEU HA . 34760 1 236 . 1 . 1 24 24 LEU HB2 H 1 2.145 0.02 . 2 . . . . A 590 LEU HB2 . 34760 1 237 . 1 . 1 24 24 LEU HB3 H 1 1.395 0.02 . 2 . . . . A 590 LEU HB3 . 34760 1 238 . 1 . 1 24 24 LEU HG H 1 2.173 0.02 . 1 . . . . A 590 LEU HG . 34760 1 239 . 1 . 1 24 24 LEU HD11 H 1 0.806 0.02 . 4 . . . . A 590 LEU HD11 . 34760 1 240 . 1 . 1 24 24 LEU HD12 H 1 0.806 0.02 . 4 . . . . A 590 LEU HD12 . 34760 1 241 . 1 . 1 24 24 LEU HD13 H 1 0.806 0.02 . 4 . . . . A 590 LEU HD13 . 34760 1 242 . 1 . 1 24 24 LEU HD21 H 1 1.06 0.02 . 4 . . . . A 590 LEU HD21 . 34760 1 243 . 1 . 1 24 24 LEU HD22 H 1 1.06 0.02 . 4 . . . . A 590 LEU HD22 . 34760 1 244 . 1 . 1 24 24 LEU HD23 H 1 1.06 0.02 . 4 . . . . A 590 LEU HD23 . 34760 1 245 . 1 . 1 24 24 LEU C C 13 179.558 0.2 . 1 . . . . A 590 LEU C . 34760 1 246 . 1 . 1 24 24 LEU CA C 13 58.115 0.2 . 1 . . . . A 590 LEU CA . 34760 1 247 . 1 . 1 24 24 LEU CB C 13 42.583 0.2 . 1 . . . . A 590 LEU CB . 34760 1 248 . 1 . 1 24 24 LEU CG C 13 26.611 0.2 . 1 . . . . A 590 LEU CG . 34760 1 249 . 1 . 1 24 24 LEU CD1 C 13 27.112 0.2 . 4 . . . . A 590 LEU CD1 . 34760 1 250 . 1 . 1 24 24 LEU CD2 C 13 23.57 0.2 . 4 . . . . A 590 LEU CD2 . 34760 1 251 . 1 . 1 24 24 LEU N N 15 120.062 0.2 . 1 . . . . A 590 LEU N . 34760 1 252 . 1 . 1 25 25 LYS H H 1 8.169 0.02 . 1 . . . . A 591 LYS H . 34760 1 253 . 1 . 1 25 25 LYS HA H 1 4.584 0.02 . 1 . . . . A 591 LYS HA . 34760 1 254 . 1 . 1 25 25 LYS HB2 H 1 1.986 0.02 . 1 . . . . A 591 LYS HB2 . 34760 1 255 . 1 . 1 25 25 LYS HB3 H 1 1.986 0.02 . 1 . . . . A 591 LYS HB3 . 34760 1 256 . 1 . 1 25 25 LYS HG2 H 1 1.807 0.02 . 2 . . . . A 591 LYS HG2 . 34760 1 257 . 1 . 1 25 25 LYS HG3 H 1 1.61 0.02 . 2 . . . . A 591 LYS HG3 . 34760 1 258 . 1 . 1 25 25 LYS HD2 H 1 1.741 0.02 . 1 . . . . A 591 LYS HD2 . 34760 1 259 . 1 . 1 25 25 LYS HD3 H 1 1.741 0.02 . 1 . . . . A 591 LYS HD3 . 34760 1 260 . 1 . 1 25 25 LYS HE2 H 1 2.952 0.02 . 2 . . . . A 591 LYS HE2 . 34760 1 261 . 1 . 1 25 25 LYS HE3 H 1 3.025 0.02 . 2 . . . . A 591 LYS HE3 . 34760 1 262 . 1 . 1 25 25 LYS C C 13 177.14 0.2 . 1 . . . . A 591 LYS C . 34760 1 263 . 1 . 1 25 25 LYS CA C 13 58.853 0.2 . 1 . . . . A 591 LYS CA . 34760 1 264 . 1 . 1 25 25 LYS CB C 13 32.642 0.2 . 1 . . . . A 591 LYS CB . 34760 1 265 . 1 . 1 25 25 LYS CG C 13 26.543 0.2 . 1 . . . . A 591 LYS CG . 34760 1 266 . 1 . 1 25 25 LYS CD C 13 29.836 0.2 . 1 . . . . A 591 LYS CD . 34760 1 267 . 1 . 1 25 25 LYS CE C 13 42.045 0.2 . 1 . . . . A 591 LYS CE . 34760 1 268 . 1 . 1 25 25 LYS N N 15 118.155 0.2 . 1 . . . . A 591 LYS N . 34760 1 269 . 1 . 1 26 26 ASN H H 1 7.497 0.02 . 1 . . . . A 592 ASN H . 34760 1 270 . 1 . 1 26 26 ASN HA H 1 4.48 0.02 . 1 . . . . A 592 ASN HA . 34760 1 271 . 1 . 1 26 26 ASN HB2 H 1 2.53 0.02 . 2 . . . . A 592 ASN HB2 . 34760 1 272 . 1 . 1 26 26 ASN HB3 H 1 2.381 0.02 . 2 . . . . A 592 ASN HB3 . 34760 1 273 . 1 . 1 26 26 ASN HD21 H 1 7.032 0.02 . 2 . . . . A 592 ASN HD21 . 34760 1 274 . 1 . 1 26 26 ASN HD22 H 1 7.429 0.02 . 2 . . . . A 592 ASN HD22 . 34760 1 275 . 1 . 1 26 26 ASN C C 13 175.036 0.2 . 1 . . . . A 592 ASN C . 34760 1 276 . 1 . 1 26 26 ASN CA C 13 54.862 0.2 . 1 . . . . A 592 ASN CA . 34760 1 277 . 1 . 1 26 26 ASN CB C 13 38.548 0.2 . 1 . . . . A 592 ASN CB . 34760 1 278 . 1 . 1 26 26 ASN N N 15 115.157 0.2 . 1 . . . . A 592 ASN N . 34760 1 279 . 1 . 1 26 26 ASN ND2 N 15 113.855 0.2 . 1 . . . . A 592 ASN ND2 . 34760 1 280 . 1 . 1 27 27 HIS H H 1 7.523 0.02 . 1 . . . . A 593 HIS H . 34760 1 281 . 1 . 1 27 27 HIS HA H 1 4.406 0.02 . 1 . . . . A 593 HIS HA . 34760 1 282 . 1 . 1 27 27 HIS HB2 H 1 2.118 0.02 . 1 . . . . A 593 HIS HB2 . 34760 1 283 . 1 . 1 27 27 HIS HB3 H 1 2.118 0.02 . 1 . . . . A 593 HIS HB3 . 34760 1 284 . 1 . 1 27 27 HIS HD2 H 1 6.809 0.02 . 1 . . . . A 593 HIS HD2 . 34760 1 285 . 1 . 1 27 27 HIS HE1 H 1 7.667 0.02 . 1 . . . . A 593 HIS HE1 . 34760 1 286 . 1 . 1 27 27 HIS C C 13 174.037 0.2 . 1 . . . . A 593 HIS C . 34760 1 287 . 1 . 1 27 27 HIS CA C 13 56.794 0.2 . 1 . . . . A 593 HIS CA . 34760 1 288 . 1 . 1 27 27 HIS CB C 13 33.354 0.2 . 1 . . . . A 593 HIS CB . 34760 1 289 . 1 . 1 27 27 HIS CD2 C 13 118.207 0.2 . 1 . . . . A 593 HIS CD2 . 34760 1 290 . 1 . 1 27 27 HIS CE1 C 13 139.145 0.2 . 1 . . . . A 593 HIS CE1 . 34760 1 291 . 1 . 1 27 27 HIS N N 15 115.343 0.2 . 1 . . . . A 593 HIS N . 34760 1 292 . 1 . 1 28 28 PHE H H 1 8.206 0.02 . 1 . . . . A 594 PHE H . 34760 1 293 . 1 . 1 28 28 PHE HA H 1 5.255 0.02 . 1 . . . . A 594 PHE HA . 34760 1 294 . 1 . 1 28 28 PHE HB2 H 1 3.508 0.02 . 2 . . . . A 594 PHE HB2 . 34760 1 295 . 1 . 1 28 28 PHE HB3 H 1 2.332 0.02 . 2 . . . . A 594 PHE HB3 . 34760 1 296 . 1 . 1 28 28 PHE HD1 H 1 7.229 0.02 . 1 . . . . A 594 PHE HD1 . 34760 1 297 . 1 . 1 28 28 PHE HD2 H 1 7.229 0.02 . 1 . . . . A 594 PHE HD2 . 34760 1 298 . 1 . 1 28 28 PHE HE1 H 1 7.119 0.02 . 1 . . . . A 594 PHE HE1 . 34760 1 299 . 1 . 1 28 28 PHE HE2 H 1 7.119 0.02 . 1 . . . . A 594 PHE HE2 . 34760 1 300 . 1 . 1 28 28 PHE HZ H 1 6.856 0.02 . 1 . . . . A 594 PHE HZ . 34760 1 301 . 1 . 1 28 28 PHE C C 13 174.933 0.2 . 1 . . . . A 594 PHE C . 34760 1 302 . 1 . 1 28 28 PHE CA C 13 55.503 0.2 . 1 . . . . A 594 PHE CA . 34760 1 303 . 1 . 1 28 28 PHE CB C 13 44.274 0.2 . 1 . . . . A 594 PHE CB . 34760 1 304 . 1 . 1 28 28 PHE N N 15 117.277 0.2 . 1 . . . . A 594 PHE N . 34760 1 305 . 1 . 1 29 29 MET H H 1 8.362 0.02 . 1 . . . . A 595 MET H . 34760 1 306 . 1 . 1 29 29 MET HA H 1 4.795 0.02 . 1 . . . . A 595 MET HA . 34760 1 307 . 1 . 1 29 29 MET HB2 H 1 2.163 0.02 . 1 . . . . A 595 MET HB2 . 34760 1 308 . 1 . 1 29 29 MET HB3 H 1 2.163 0.02 . 1 . . . . A 595 MET HB3 . 34760 1 309 . 1 . 1 29 29 MET HG2 H 1 2.661 0.02 . 1 . . . . A 595 MET HG2 . 34760 1 310 . 1 . 1 29 29 MET HG3 H 1 2.661 0.02 . 1 . . . . A 595 MET HG3 . 34760 1 311 . 1 . 1 29 29 MET HE1 H 1 2.738 0.02 . 1 . . . . A 595 MET HE1 . 34760 1 312 . 1 . 1 29 29 MET HE2 H 1 2.738 0.02 . 1 . . . . A 595 MET HE2 . 34760 1 313 . 1 . 1 29 29 MET HE3 H 1 2.738 0.02 . 1 . . . . A 595 MET HE3 . 34760 1 314 . 1 . 1 29 29 MET C C 13 175.601 0.2 . 1 . . . . A 595 MET C . 34760 1 315 . 1 . 1 29 29 MET CA C 13 55.707 0.2 . 1 . . . . A 595 MET CA . 34760 1 316 . 1 . 1 29 29 MET CB C 13 33.106 0.2 . 1 . . . . A 595 MET CB . 34760 1 317 . 1 . 1 29 29 MET CG C 13 32.425 0.2 . 1 . . . . A 595 MET CG . 34760 1 318 . 1 . 1 29 29 MET CE C 13 16.891 0.2 . 1 . . . . A 595 MET CE . 34760 1 319 . 1 . 1 29 29 MET N N 15 119.261 0.2 . 1 . . . . A 595 MET N . 34760 1 320 . 1 . 1 30 30 VAL H H 1 8.657 0.02 . 1 . . . . A 596 VAL H . 34760 1 321 . 1 . 1 30 30 VAL HA H 1 5.221 0.02 . 1 . . . . A 596 VAL HA . 34760 1 322 . 1 . 1 30 30 VAL HB H 1 1.88 0.02 . 1 . . . . A 596 VAL HB . 34760 1 323 . 1 . 1 30 30 VAL HG11 H 1 0.918 0.02 . 4 . . . . A 596 VAL HG11 . 34760 1 324 . 1 . 1 30 30 VAL HG12 H 1 0.918 0.02 . 4 . . . . A 596 VAL HG12 . 34760 1 325 . 1 . 1 30 30 VAL HG13 H 1 0.918 0.02 . 4 . . . . A 596 VAL HG13 . 34760 1 326 . 1 . 1 30 30 VAL HG21 H 1 0.902 0.02 . 4 . . . . A 596 VAL HG21 . 34760 1 327 . 1 . 1 30 30 VAL HG22 H 1 0.902 0.02 . 4 . . . . A 596 VAL HG22 . 34760 1 328 . 1 . 1 30 30 VAL HG23 H 1 0.902 0.02 . 4 . . . . A 596 VAL HG23 . 34760 1 329 . 1 . 1 30 30 VAL C C 13 175.256 0.2 . 1 . . . . A 596 VAL C . 34760 1 330 . 1 . 1 30 30 VAL CA C 13 60.738 0.2 . 1 . . . . A 596 VAL CA . 34760 1 331 . 1 . 1 30 30 VAL CB C 13 34.828 0.2 . 1 . . . . A 596 VAL CB . 34760 1 332 . 1 . 1 30 30 VAL CG1 C 13 22.087 0.2 . 4 . . . . A 596 VAL CG1 . 34760 1 333 . 1 . 1 30 30 VAL CG2 C 13 22.457 0.2 . 4 . . . . A 596 VAL CG2 . 34760 1 334 . 1 . 1 30 30 VAL N N 15 124.68 0.2 . 1 . . . . A 596 VAL N . 34760 1 335 . 1 . 1 31 31 GLU H H 1 9.04 0.02 . 1 . . . . A 597 GLU H . 34760 1 336 . 1 . 1 31 31 GLU HA H 1 4.719 0.02 . 1 . . . . A 597 GLU HA . 34760 1 337 . 1 . 1 31 31 GLU HB2 H 1 1.998 0.02 . 2 . . . . A 597 GLU HB2 . 34760 1 338 . 1 . 1 31 31 GLU HB3 H 1 1.797 0.02 . 2 . . . . A 597 GLU HB3 . 34760 1 339 . 1 . 1 31 31 GLU HG2 H 1 2.176 0.02 . 1 . . . . A 597 GLU HG2 . 34760 1 340 . 1 . 1 31 31 GLU HG3 H 1 2.176 0.02 . 1 . . . . A 597 GLU HG3 . 34760 1 341 . 1 . 1 31 31 GLU C C 13 174.531 0.2 . 1 . . . . A 597 GLU C . 34760 1 342 . 1 . 1 31 31 GLU CA C 13 54.606 0.2 . 1 . . . . A 597 GLU CA . 34760 1 343 . 1 . 1 31 31 GLU CB C 13 34.569 0.2 . 1 . . . . A 597 GLU CB . 34760 1 344 . 1 . 1 31 31 GLU CG C 13 36.358 0.2 . 1 . . . . A 597 GLU CG . 34760 1 345 . 1 . 1 31 31 GLU N N 15 126.239 0.2 . 1 . . . . A 597 GLU N . 34760 1 346 . 1 . 1 32 32 LYS H H 1 8.836 0.02 . 1 . . . . A 598 LYS H . 34760 1 347 . 1 . 1 32 32 LYS HA H 1 4.755 0.02 . 1 . . . . A 598 LYS HA . 34760 1 348 . 1 . 1 32 32 LYS HB2 H 1 1.92 0.02 . 1 . . . . A 598 LYS HB2 . 34760 1 349 . 1 . 1 32 32 LYS HB3 H 1 1.92 0.02 . 1 . . . . A 598 LYS HB3 . 34760 1 350 . 1 . 1 32 32 LYS HG2 H 1 1.481 0.02 . 2 . . . . A 598 LYS HG2 . 34760 1 351 . 1 . 1 32 32 LYS HG3 H 1 1.35 0.02 . 2 . . . . A 598 LYS HG3 . 34760 1 352 . 1 . 1 32 32 LYS HD2 H 1 1.713 0.02 . 1 . . . . A 598 LYS HD2 . 34760 1 353 . 1 . 1 32 32 LYS HD3 H 1 1.713 0.02 . 1 . . . . A 598 LYS HD3 . 34760 1 354 . 1 . 1 32 32 LYS HE2 H 1 3.01 0.02 . 1 . . . . A 598 LYS HE2 . 34760 1 355 . 1 . 1 32 32 LYS HE3 H 1 3.01 0.02 . 1 . . . . A 598 LYS HE3 . 34760 1 356 . 1 . 1 32 32 LYS C C 13 176.044 0.2 . 1 . . . . A 598 LYS C . 34760 1 357 . 1 . 1 32 32 LYS CA C 13 56.266 0.2 . 1 . . . . A 598 LYS CA . 34760 1 358 . 1 . 1 32 32 LYS CB C 13 33.641 0.2 . 1 . . . . A 598 LYS CB . 34760 1 359 . 1 . 1 32 32 LYS CG C 13 25.064 0.2 . 1 . . . . A 598 LYS CG . 34760 1 360 . 1 . 1 32 32 LYS CD C 13 29.263 0.2 . 1 . . . . A 598 LYS CD . 34760 1 361 . 1 . 1 32 32 LYS CE C 13 42.273 0.2 . 1 . . . . A 598 LYS CE . 34760 1 362 . 1 . 1 32 32 LYS N N 15 124.346 0.2 . 1 . . . . A 598 LYS N . 34760 1 363 . 1 . 1 33 33 GLU H H 1 8.259 0.02 . 1 . . . . A 599 GLU H . 34760 1 364 . 1 . 1 33 33 GLU HA H 1 4.421 0.02 . 1 . . . . A 599 GLU HA . 34760 1 365 . 1 . 1 33 33 GLU HB2 H 1 1.905 0.02 . 2 . . . . A 599 GLU HB2 . 34760 1 366 . 1 . 1 33 33 GLU HB3 H 1 1.721 0.02 . 2 . . . . A 599 GLU HB3 . 34760 1 367 . 1 . 1 33 33 GLU HG2 H 1 2.05 0.02 . 2 . . . . A 599 GLU HG2 . 34760 1 368 . 1 . 1 33 33 GLU HG3 H 1 2.146 0.02 . 2 . . . . A 599 GLU HG3 . 34760 1 369 . 1 . 1 33 33 GLU C C 13 174.633 0.2 . 1 . . . . A 599 GLU C . 34760 1 370 . 1 . 1 33 33 GLU CA C 13 55.55 0.2 . 1 . . . . A 599 GLU CA . 34760 1 371 . 1 . 1 33 33 GLU CB C 13 32.113 0.2 . 1 . . . . A 599 GLU CB . 34760 1 372 . 1 . 1 33 33 GLU CG C 13 36.395 0.2 . 1 . . . . A 599 GLU CG . 34760 1 373 . 1 . 1 33 33 GLU N N 15 125.721 0.2 . 1 . . . . A 599 GLU N . 34760 1 374 . 1 . 1 34 34 ASN HA H 1 4.185 0.02 . 1 . . . . A 600 ASN HA . 34760 1 375 . 1 . 1 34 34 ASN HB2 H 1 3.217 0.02 . 2 . . . . A 600 ASN HB2 . 34760 1 376 . 1 . 1 34 34 ASN HB3 H 1 2.907 0.02 . 2 . . . . A 600 ASN HB3 . 34760 1 377 . 1 . 1 34 34 ASN HD21 H 1 6.976 0.02 . 2 . . . . A 600 ASN HD21 . 34760 1 378 . 1 . 1 34 34 ASN HD22 H 1 7.768 0.02 . 2 . . . . A 600 ASN HD22 . 34760 1 379 . 1 . 1 34 34 ASN C C 13 174.719 0.2 . 1 . . . . A 600 ASN C . 34760 1 380 . 1 . 1 34 34 ASN CA C 13 55.875 0.2 . 1 . . . . A 600 ASN CA . 34760 1 381 . 1 . 1 34 34 ASN CB C 13 36.782 0.2 . 1 . . . . A 600 ASN CB . 34760 1 382 . 1 . 1 34 34 ASN ND2 N 15 114.931 0.2 . 1 . . . . A 600 ASN ND2 . 34760 1 383 . 1 . 1 35 35 ASP H H 1 8.525 0.02 . 1 . . . . A 601 ASP H . 34760 1 384 . 1 . 1 35 35 ASP HA H 1 4.841 0.02 . 1 . . . . A 601 ASP HA . 34760 1 385 . 1 . 1 35 35 ASP HB2 H 1 2.898 0.02 . 2 . . . . A 601 ASP HB2 . 34760 1 386 . 1 . 1 35 35 ASP HB3 H 1 2.634 0.02 . 2 . . . . A 601 ASP HB3 . 34760 1 387 . 1 . 1 35 35 ASP C C 13 175.521 0.2 . 1 . . . . A 601 ASP C . 34760 1 388 . 1 . 1 35 35 ASP CA C 13 55.479 0.2 . 1 . . . . A 601 ASP CA . 34760 1 389 . 1 . 1 35 35 ASP CB C 13 41.322 0.2 . 1 . . . . A 601 ASP CB . 34760 1 390 . 1 . 1 35 35 ASP N N 15 122.2 0.2 . 1 . . . . A 601 ASP N . 34760 1 391 . 1 . 1 36 36 ASP H H 1 8.392 0.02 . 1 . . . . A 602 ASP H . 34760 1 392 . 1 . 1 36 36 ASP HA H 1 5.073 0.02 . 1 . . . . A 602 ASP HA . 34760 1 393 . 1 . 1 36 36 ASP HB2 H 1 3.005 0.02 . 2 . . . . A 602 ASP HB2 . 34760 1 394 . 1 . 1 36 36 ASP HB3 H 1 2.511 0.02 . 2 . . . . A 602 ASP HB3 . 34760 1 395 . 1 . 1 36 36 ASP C C 13 175.932 0.2 . 1 . . . . A 602 ASP C . 34760 1 396 . 1 . 1 36 36 ASP CA C 13 53.838 0.2 . 1 . . . . A 602 ASP CA . 34760 1 397 . 1 . 1 36 36 ASP CB C 13 42.112 0.2 . 1 . . . . A 602 ASP CB . 34760 1 398 . 1 . 1 36 36 ASP N N 15 121.648 0.2 . 1 . . . . A 602 ASP N . 34760 1 399 . 1 . 1 37 37 ILE H H 1 8.505 0.02 . 1 . . . . A 603 ILE H . 34760 1 400 . 1 . 1 37 37 ILE HA H 1 4.501 0.02 . 1 . . . . A 603 ILE HA . 34760 1 401 . 1 . 1 37 37 ILE HB H 1 1.756 0.02 . 1 . . . . A 603 ILE HB . 34760 1 402 . 1 . 1 37 37 ILE HG12 H 1 1.527 0.02 . 1 . . . . A 603 ILE HG12 . 34760 1 403 . 1 . 1 37 37 ILE HG13 H 1 1.527 0.02 . 1 . . . . A 603 ILE HG13 . 34760 1 404 . 1 . 1 37 37 ILE HG21 H 1 0.716 0.02 . 1 . . . . A 603 ILE HG21 . 34760 1 405 . 1 . 1 37 37 ILE HG22 H 1 0.716 0.02 . 1 . . . . A 603 ILE HG22 . 34760 1 406 . 1 . 1 37 37 ILE HG23 H 1 0.716 0.02 . 1 . . . . A 603 ILE HG23 . 34760 1 407 . 1 . 1 37 37 ILE HD11 H 1 0.754 0.02 . 1 . . . . A 603 ILE HD11 . 34760 1 408 . 1 . 1 37 37 ILE HD12 H 1 0.754 0.02 . 1 . . . . A 603 ILE HD12 . 34760 1 409 . 1 . 1 37 37 ILE HD13 H 1 0.754 0.02 . 1 . . . . A 603 ILE HD13 . 34760 1 410 . 1 . 1 37 37 ILE C C 13 174.592 0.2 . 1 . . . . A 603 ILE C . 34760 1 411 . 1 . 1 37 37 ILE CA C 13 60.374 0.2 . 1 . . . . A 603 ILE CA . 34760 1 412 . 1 . 1 37 37 ILE CB C 13 40.37 0.2 . 1 . . . . A 603 ILE CB . 34760 1 413 . 1 . 1 37 37 ILE CG1 C 13 27.152 0.2 . 1 . . . . A 603 ILE CG1 . 34760 1 414 . 1 . 1 37 37 ILE CG2 C 13 18.704 0.2 . 1 . . . . A 603 ILE CG2 . 34760 1 415 . 1 . 1 37 37 ILE CD1 C 13 13.287 0.2 . 1 . . . . A 603 ILE CD1 . 34760 1 416 . 1 . 1 37 37 ILE N N 15 120.013 0.2 . 1 . . . . A 603 ILE N . 34760 1 417 . 1 . 1 38 38 LYS H H 1 9.268 0.02 . 1 . . . . A 604 LYS H . 34760 1 418 . 1 . 1 38 38 LYS HA H 1 4.84 0.02 . 1 . . . . A 604 LYS HA . 34760 1 419 . 1 . 1 38 38 LYS HB2 H 1 1.725 0.02 . 1 . . . . A 604 LYS HB2 . 34760 1 420 . 1 . 1 38 38 LYS HB3 H 1 1.725 0.02 . 1 . . . . A 604 LYS HB3 . 34760 1 421 . 1 . 1 38 38 LYS HG2 H 1 1.408 0.02 . 2 . . . . A 604 LYS HG2 . 34760 1 422 . 1 . 1 38 38 LYS HG3 H 1 1.251 0.02 . 2 . . . . A 604 LYS HG3 . 34760 1 423 . 1 . 1 38 38 LYS HD2 H 1 1.422 0.02 . 1 . . . . A 604 LYS HD2 . 34760 1 424 . 1 . 1 38 38 LYS HD3 H 1 1.422 0.02 . 1 . . . . A 604 LYS HD3 . 34760 1 425 . 1 . 1 38 38 LYS HE2 H 1 2.848 0.02 . 1 . . . . A 604 LYS HE2 . 34760 1 426 . 1 . 1 38 38 LYS HE3 H 1 2.848 0.02 . 1 . . . . A 604 LYS HE3 . 34760 1 427 . 1 . 1 38 38 LYS C C 13 174.341 0.2 . 1 . . . . A 604 LYS C . 34760 1 428 . 1 . 1 38 38 LYS CA C 13 55.804 0.2 . 1 . . . . A 604 LYS CA . 34760 1 429 . 1 . 1 38 38 LYS CB C 13 33.983 0.2 . 1 . . . . A 604 LYS CB . 34760 1 430 . 1 . 1 38 38 LYS CG C 13 25.028 0.2 . 1 . . . . A 604 LYS CG . 34760 1 431 . 1 . 1 38 38 LYS CD C 13 29.586 0.2 . 1 . . . . A 604 LYS CD . 34760 1 432 . 1 . 1 38 38 LYS CE C 13 41.834 0.2 . 1 . . . . A 604 LYS CE . 34760 1 433 . 1 . 1 38 38 LYS N N 15 128.268 0.2 . 1 . . . . A 604 LYS N . 34760 1 434 . 1 . 1 39 39 VAL H H 1 8.927 0.02 . 1 . . . . A 605 VAL H . 34760 1 435 . 1 . 1 39 39 VAL HA H 1 4.691 0.02 . 1 . . . . A 605 VAL HA . 34760 1 436 . 1 . 1 39 39 VAL HB H 1 1.636 0.02 . 1 . . . . A 605 VAL HB . 34760 1 437 . 1 . 1 39 39 VAL HG11 H 1 0.378 0.02 . 4 . . . . A 605 VAL HG11 . 34760 1 438 . 1 . 1 39 39 VAL HG12 H 1 0.378 0.02 . 4 . . . . A 605 VAL HG12 . 34760 1 439 . 1 . 1 39 39 VAL HG13 H 1 0.378 0.02 . 4 . . . . A 605 VAL HG13 . 34760 1 440 . 1 . 1 39 39 VAL HG21 H 1 0.729 0.02 . 4 . . . . A 605 VAL HG21 . 34760 1 441 . 1 . 1 39 39 VAL HG22 H 1 0.729 0.02 . 4 . . . . A 605 VAL HG22 . 34760 1 442 . 1 . 1 39 39 VAL HG23 H 1 0.729 0.02 . 4 . . . . A 605 VAL HG23 . 34760 1 443 . 1 . 1 39 39 VAL C C 13 174.742 0.2 . 1 . . . . A 605 VAL C . 34760 1 444 . 1 . 1 39 39 VAL CA C 13 61.384 0.2 . 1 . . . . A 605 VAL CA . 34760 1 445 . 1 . 1 39 39 VAL CB C 13 33.693 0.2 . 1 . . . . A 605 VAL CB . 34760 1 446 . 1 . 1 39 39 VAL CG1 C 13 23.239 0.2 . 4 . . . . A 605 VAL CG1 . 34760 1 447 . 1 . 1 39 39 VAL CG2 C 13 21.622 0.2 . 4 . . . . A 605 VAL CG2 . 34760 1 448 . 1 . 1 39 39 VAL N N 15 124.902 0.2 . 1 . . . . A 605 VAL N . 34760 1 449 . 1 . 1 40 40 MET H H 1 9.336 0.02 . 1 . . . . A 606 MET H . 34760 1 450 . 1 . 1 40 40 MET HA H 1 5.256 0.02 . 1 . . . . A 606 MET HA . 34760 1 451 . 1 . 1 40 40 MET HB2 H 1 2.064 0.02 . 1 . . . . A 606 MET HB2 . 34760 1 452 . 1 . 1 40 40 MET HB3 H 1 2.064 0.02 . 1 . . . . A 606 MET HB3 . 34760 1 453 . 1 . 1 40 40 MET HG2 H 1 2.603 0.02 . 2 . . . . A 606 MET HG2 . 34760 1 454 . 1 . 1 40 40 MET HG3 H 1 2.326 0.02 . 2 . . . . A 606 MET HG3 . 34760 1 455 . 1 . 1 40 40 MET HE1 H 1 2.163 0.02 . 1 . . . . A 606 MET HE1 . 34760 1 456 . 1 . 1 40 40 MET HE2 H 1 2.163 0.02 . 1 . . . . A 606 MET HE2 . 34760 1 457 . 1 . 1 40 40 MET HE3 H 1 2.163 0.02 . 1 . . . . A 606 MET HE3 . 34760 1 458 . 1 . 1 40 40 MET C C 13 175.304 0.2 . 1 . . . . A 606 MET C . 34760 1 459 . 1 . 1 40 40 MET CA C 13 55.191 0.2 . 1 . . . . A 606 MET CA . 34760 1 460 . 1 . 1 40 40 MET CB C 13 37.072 0.2 . 1 . . . . A 606 MET CB . 34760 1 461 . 1 . 1 40 40 MET CG C 13 32.449 0.2 . 1 . . . . A 606 MET CG . 34760 1 462 . 1 . 1 40 40 MET CE C 13 17.274 0.2 . 1 . . . . A 606 MET CE . 34760 1 463 . 1 . 1 40 40 MET N N 15 123.767 0.2 . 1 . . . . A 606 MET N . 34760 1 464 . 1 . 1 41 41 ASN H H 1 8.278 0.02 . 1 . . . . A 607 ASN H . 34760 1 465 . 1 . 1 41 41 ASN HA H 1 5.158 0.02 . 1 . . . . A 607 ASN HA . 34760 1 466 . 1 . 1 41 41 ASN HB2 H 1 2.894 0.02 . 1 . . . . A 607 ASN HB2 . 34760 1 467 . 1 . 1 41 41 ASN HB3 H 1 2.894 0.02 . 1 . . . . A 607 ASN HB3 . 34760 1 468 . 1 . 1 41 41 ASN HD21 H 1 7.078 0.02 . 2 . . . . A 607 ASN HD21 . 34760 1 469 . 1 . 1 41 41 ASN HD22 H 1 7.646 0.02 . 2 . . . . A 607 ASN HD22 . 34760 1 470 . 1 . 1 41 41 ASN C C 13 175.286 0.2 . 1 . . . . A 607 ASN C . 34760 1 471 . 1 . 1 41 41 ASN CA C 13 52.659 0.2 . 1 . . . . A 607 ASN CA . 34760 1 472 . 1 . 1 41 41 ASN CB C 13 40.808 0.2 . 1 . . . . A 607 ASN CB . 34760 1 473 . 1 . 1 41 41 ASN N N 15 118.981 0.2 . 1 . . . . A 607 ASN N . 34760 1 474 . 1 . 1 41 41 ASN ND2 N 15 111.973 0.2 . 1 . . . . A 607 ASN ND2 . 34760 1 475 . 1 . 1 42 42 GLY HA2 H 1 4.061 0.02 . 2 . . . . A 608 GLY HA2 . 34760 1 476 . 1 . 1 42 42 GLY HA3 H 1 3.722 0.02 . 2 . . . . A 608 GLY HA3 . 34760 1 477 . 1 . 1 42 42 GLY C C 13 174.569 0.2 . 1 . . . . A 608 GLY C . 34760 1 478 . 1 . 1 42 42 GLY CA C 13 47.309 0.2 . 1 . . . . A 608 GLY CA . 34760 1 479 . 1 . 1 43 43 ASP H H 1 8.797 0.02 . 1 . . . . A 609 ASP H . 34760 1 480 . 1 . 1 43 43 ASP HA H 1 4.664 0.02 . 1 . . . . A 609 ASP HA . 34760 1 481 . 1 . 1 43 43 ASP HB2 H 1 2.798 0.02 . 2 . . . . A 609 ASP HB2 . 34760 1 482 . 1 . 1 43 43 ASP HB3 H 1 2.694 0.02 . 2 . . . . A 609 ASP HB3 . 34760 1 483 . 1 . 1 43 43 ASP C C 13 175.952 0.2 . 1 . . . . A 609 ASP C . 34760 1 484 . 1 . 1 43 43 ASP CA C 13 54.642 0.2 . 1 . . . . A 609 ASP CA . 34760 1 485 . 1 . 1 43 43 ASP CB C 13 41.121 0.2 . 1 . . . . A 609 ASP CB . 34760 1 486 . 1 . 1 43 43 ASP N N 15 125.727 0.2 . 1 . . . . A 609 ASP N . 34760 1 487 . 1 . 1 44 44 MET H H 1 8.049 0.02 . 1 . . . . A 610 MET H . 34760 1 488 . 1 . 1 44 44 MET HA H 1 4.749 0.02 . 1 . . . . A 610 MET HA . 34760 1 489 . 1 . 1 44 44 MET HB2 H 1 2.36 0.02 . 2 . . . . A 610 MET HB2 . 34760 1 490 . 1 . 1 44 44 MET HB3 H 1 1.894 0.02 . 2 . . . . A 610 MET HB3 . 34760 1 491 . 1 . 1 44 44 MET HG2 H 1 2.751 0.02 . 2 . . . . A 610 MET HG2 . 34760 1 492 . 1 . 1 44 44 MET HG3 H 1 2.634 0.02 . 2 . . . . A 610 MET HG3 . 34760 1 493 . 1 . 1 44 44 MET HE1 H 1 2.19 0.02 . 1 . . . . A 610 MET HE1 . 34760 1 494 . 1 . 1 44 44 MET HE2 H 1 2.19 0.02 . 1 . . . . A 610 MET HE2 . 34760 1 495 . 1 . 1 44 44 MET HE3 H 1 2.19 0.02 . 1 . . . . A 610 MET HE3 . 34760 1 496 . 1 . 1 44 44 MET C C 13 175.239 0.2 . 1 . . . . A 610 MET C . 34760 1 497 . 1 . 1 44 44 MET CA C 13 55.268 0.2 . 1 . . . . A 610 MET CA . 34760 1 498 . 1 . 1 44 44 MET CB C 13 35.614 0.2 . 1 . . . . A 610 MET CB . 34760 1 499 . 1 . 1 44 44 MET CG C 13 32.893 0.2 . 1 . . . . A 610 MET CG . 34760 1 500 . 1 . 1 44 44 MET CE C 13 17.914 0.2 . 1 . . . . A 610 MET CE . 34760 1 501 . 1 . 1 44 44 MET N N 15 119.728 0.2 . 1 . . . . A 610 MET N . 34760 1 502 . 1 . 1 45 45 MET H H 1 9.222 0.02 . 1 . . . . A 611 MET H . 34760 1 503 . 1 . 1 45 45 MET HA H 1 5.407 0.02 . 1 . . . . A 611 MET HA . 34760 1 504 . 1 . 1 45 45 MET HB2 H 1 1.977 0.02 . 1 . . . . A 611 MET HB2 . 34760 1 505 . 1 . 1 45 45 MET HB3 H 1 1.977 0.02 . 1 . . . . A 611 MET HB3 . 34760 1 506 . 1 . 1 45 45 MET HG2 H 1 2.437 0.02 . 1 . . . . A 611 MET HG2 . 34760 1 507 . 1 . 1 45 45 MET HG3 H 1 2.437 0.02 . 1 . . . . A 611 MET HG3 . 34760 1 508 . 1 . 1 45 45 MET HE1 H 1 2.04 0.02 . 1 . . . . A 611 MET HE1 . 34760 1 509 . 1 . 1 45 45 MET HE2 H 1 2.04 0.02 . 1 . . . . A 611 MET HE2 . 34760 1 510 . 1 . 1 45 45 MET HE3 H 1 2.04 0.02 . 1 . . . . A 611 MET HE3 . 34760 1 511 . 1 . 1 45 45 MET C C 13 174.128 0.2 . 1 . . . . A 611 MET C . 34760 1 512 . 1 . 1 45 45 MET CA C 13 54.909 0.2 . 1 . . . . A 611 MET CA . 34760 1 513 . 1 . 1 45 45 MET CB C 13 37.033 0.2 . 1 . . . . A 611 MET CB . 34760 1 514 . 1 . 1 45 45 MET CG C 13 31.462 0.2 . 1 . . . . A 611 MET CG . 34760 1 515 . 1 . 1 45 45 MET CE C 13 17.008 0.2 . 1 . . . . A 611 MET CE . 34760 1 516 . 1 . 1 45 45 MET N N 15 121.158 0.2 . 1 . . . . A 611 MET N . 34760 1 517 . 1 . 1 46 46 ALA H H 1 9.278 0.02 . 1 . . . . A 612 ALA H . 34760 1 518 . 1 . 1 46 46 ALA HA H 1 5.081 0.02 . 1 . . . . A 612 ALA HA . 34760 1 519 . 1 . 1 46 46 ALA HB1 H 1 1.094 0.02 . 1 . . . . A 612 ALA HB1 . 34760 1 520 . 1 . 1 46 46 ALA HB2 H 1 1.094 0.02 . 1 . . . . A 612 ALA HB2 . 34760 1 521 . 1 . 1 46 46 ALA HB3 H 1 1.094 0.02 . 1 . . . . A 612 ALA HB3 . 34760 1 522 . 1 . 1 46 46 ALA C C 13 174.522 0.2 . 1 . . . . A 612 ALA C . 34760 1 523 . 1 . 1 46 46 ALA CA C 13 51.136 0.2 . 1 . . . . A 612 ALA CA . 34760 1 524 . 1 . 1 46 46 ALA CB C 13 23.617 0.2 . 1 . . . . A 612 ALA CB . 34760 1 525 . 1 . 1 46 46 ALA N N 15 125.183 0.2 . 1 . . . . A 612 ALA N . 34760 1 526 . 1 . 1 47 47 ARG H H 1 8.958 0.02 . 1 . . . . A 613 ARG H . 34760 1 527 . 1 . 1 47 47 ARG HA H 1 5.281 0.02 . 1 . . . . A 613 ARG HA . 34760 1 528 . 1 . 1 47 47 ARG HB2 H 1 1.595 0.02 . 1 . . . . A 613 ARG HB2 . 34760 1 529 . 1 . 1 47 47 ARG HB3 H 1 1.595 0.02 . 1 . . . . A 613 ARG HB3 . 34760 1 530 . 1 . 1 47 47 ARG HG2 H 1 1.434 0.02 . 2 . . . . A 613 ARG HG2 . 34760 1 531 . 1 . 1 47 47 ARG HG3 H 1 1.284 0.02 . 2 . . . . A 613 ARG HG3 . 34760 1 532 . 1 . 1 47 47 ARG HD2 H 1 3.241 0.02 . 2 . . . . A 613 ARG HD2 . 34760 1 533 . 1 . 1 47 47 ARG HD3 H 1 3.077 0.02 . 2 . . . . A 613 ARG HD3 . 34760 1 534 . 1 . 1 47 47 ARG C C 13 175.087 0.2 . 1 . . . . A 613 ARG C . 34760 1 535 . 1 . 1 47 47 ARG CA C 13 54.585 0.2 . 1 . . . . A 613 ARG CA . 34760 1 536 . 1 . 1 47 47 ARG CB C 13 34.601 0.2 . 1 . . . . A 613 ARG CB . 34760 1 537 . 1 . 1 47 47 ARG CG C 13 28.609 0.2 . 1 . . . . A 613 ARG CG . 34760 1 538 . 1 . 1 47 47 ARG CD C 13 43.184 0.2 . 1 . . . . A 613 ARG CD . 34760 1 539 . 1 . 1 47 47 ARG N N 15 119.224 0.2 . 1 . . . . A 613 ARG N . 34760 1 540 . 1 . 1 48 48 ILE H H 1 9.387 0.02 . 1 . . . . A 614 ILE H . 34760 1 541 . 1 . 1 48 48 ILE HA H 1 4.686 0.02 . 1 . . . . A 614 ILE HA . 34760 1 542 . 1 . 1 48 48 ILE HB H 1 1.866 0.02 . 1 . . . . A 614 ILE HB . 34760 1 543 . 1 . 1 48 48 ILE HG12 H 1 1.593 0.02 . 1 . . . . A 614 ILE HG12 . 34760 1 544 . 1 . 1 48 48 ILE HG13 H 1 1.593 0.02 . 1 . . . . A 614 ILE HG13 . 34760 1 545 . 1 . 1 48 48 ILE HG21 H 1 0.838 0.02 . 1 . . . . A 614 ILE HG21 . 34760 1 546 . 1 . 1 48 48 ILE HG22 H 1 0.838 0.02 . 1 . . . . A 614 ILE HG22 . 34760 1 547 . 1 . 1 48 48 ILE HG23 H 1 0.838 0.02 . 1 . . . . A 614 ILE HG23 . 34760 1 548 . 1 . 1 48 48 ILE HD11 H 1 0.738 0.02 . 1 . . . . A 614 ILE HD11 . 34760 1 549 . 1 . 1 48 48 ILE HD12 H 1 0.738 0.02 . 1 . . . . A 614 ILE HD12 . 34760 1 550 . 1 . 1 48 48 ILE HD13 H 1 0.738 0.02 . 1 . . . . A 614 ILE HD13 . 34760 1 551 . 1 . 1 48 48 ILE C C 13 175.732 0.2 . 1 . . . . A 614 ILE C . 34760 1 552 . 1 . 1 48 48 ILE CA C 13 60.917 0.2 . 1 . . . . A 614 ILE CA . 34760 1 553 . 1 . 1 48 48 ILE CB C 13 38.833 0.2 . 1 . . . . A 614 ILE CB . 34760 1 554 . 1 . 1 48 48 ILE CG1 C 13 27.313 0.2 . 1 . . . . A 614 ILE CG1 . 34760 1 555 . 1 . 1 48 48 ILE CG2 C 13 16.999 0.2 . 1 . . . . A 614 ILE CG2 . 34760 1 556 . 1 . 1 48 48 ILE CD1 C 13 14.755 0.2 . 1 . . . . A 614 ILE CD1 . 34760 1 557 . 1 . 1 48 48 ILE N N 15 125.593 0.2 . 1 . . . . A 614 ILE N . 34760 1 558 . 1 . 1 49 49 SER H H 1 8.786 0.02 . 1 . . . . A 615 SER H . 34760 1 559 . 1 . 1 49 49 SER HA H 1 5.009 0.02 . 1 . . . . A 615 SER HA . 34760 1 560 . 1 . 1 49 49 SER HB2 H 1 3.733 0.02 . 1 . . . . A 615 SER HB2 . 34760 1 561 . 1 . 1 49 49 SER HB3 H 1 3.733 0.02 . 1 . . . . A 615 SER HB3 . 34760 1 562 . 1 . 1 49 49 SER C C 13 175.614 0.2 . 1 . . . . A 615 SER C . 34760 1 563 . 1 . 1 49 49 SER CA C 13 56.481 0.2 . 1 . . . . A 615 SER CA . 34760 1 564 . 1 . 1 49 49 SER CB C 13 65.198 0.2 . 1 . . . . A 615 SER CB . 34760 1 565 . 1 . 1 49 49 SER N N 15 124.061 0.2 . 1 . . . . A 615 SER N . 34760 1 566 . 1 . 1 50 50 GLY H H 1 8.462 0.02 . 1 . . . . A 616 GLY H . 34760 1 567 . 1 . 1 50 50 GLY HA2 H 1 3.997 0.02 . 2 . . . . A 616 GLY HA2 . 34760 1 568 . 1 . 1 50 50 GLY HA3 H 1 3.819 0.02 . 2 . . . . A 616 GLY HA3 . 34760 1 569 . 1 . 1 50 50 GLY C C 13 174.486 0.2 . 1 . . . . A 616 GLY C . 34760 1 570 . 1 . 1 50 50 GLY CA C 13 47.21 0.2 . 1 . . . . A 616 GLY CA . 34760 1 571 . 1 . 1 50 50 GLY N N 15 110.353 0.2 . 1 . . . . A 616 GLY N . 34760 1 572 . 1 . 1 51 51 ASP H H 1 8.417 0.02 . 1 . . . . A 617 ASP H . 34760 1 573 . 1 . 1 51 51 ASP HA H 1 4.757 0.02 . 1 . . . . A 617 ASP HA . 34760 1 574 . 1 . 1 51 51 ASP HB2 H 1 2.76 0.02 . 2 . . . . A 617 ASP HB2 . 34760 1 575 . 1 . 1 51 51 ASP HB3 H 1 2.634 0.02 . 2 . . . . A 617 ASP HB3 . 34760 1 576 . 1 . 1 51 51 ASP C C 13 175.673 0.2 . 1 . . . . A 617 ASP C . 34760 1 577 . 1 . 1 51 51 ASP CA C 13 53.981 0.2 . 1 . . . . A 617 ASP CA . 34760 1 578 . 1 . 1 51 51 ASP CB C 13 41.243 0.2 . 1 . . . . A 617 ASP CB . 34760 1 579 . 1 . 1 51 51 ASP N N 15 121.264 0.2 . 1 . . . . A 617 ASP N . 34760 1 580 . 1 . 1 52 52 GLY H H 1 7.87 0.02 . 1 . . . . A 618 GLY H . 34760 1 581 . 1 . 1 52 52 GLY HA2 H 1 4.121 0.02 . 2 . . . . A 618 GLY HA2 . 34760 1 582 . 1 . 1 52 52 GLY HA3 H 1 4.253 0.02 . 2 . . . . A 618 GLY HA3 . 34760 1 583 . 1 . 1 52 52 GLY C C 13 171.716 0.2 . 1 . . . . A 618 GLY C . 34760 1 584 . 1 . 1 52 52 GLY CA C 13 45.072 0.2 . 1 . . . . A 618 GLY CA . 34760 1 585 . 1 . 1 52 52 GLY N N 15 108.149 0.2 . 1 . . . . A 618 GLY N . 34760 1 586 . 1 . 1 53 53 VAL H H 1 8.389 0.02 . 1 . . . . A 619 VAL H . 34760 1 587 . 1 . 1 53 53 VAL HA H 1 5.058 0.02 . 1 . . . . A 619 VAL HA . 34760 1 588 . 1 . 1 53 53 VAL HB H 1 2.03 0.02 . 1 . . . . A 619 VAL HB . 34760 1 589 . 1 . 1 53 53 VAL HG11 H 1 0.859 0.02 . 4 . . . . A 619 VAL HG11 . 34760 1 590 . 1 . 1 53 53 VAL HG12 H 1 0.859 0.02 . 4 . . . . A 619 VAL HG12 . 34760 1 591 . 1 . 1 53 53 VAL HG13 H 1 0.859 0.02 . 4 . . . . A 619 VAL HG13 . 34760 1 592 . 1 . 1 53 53 VAL HG21 H 1 0.92 0.02 . 4 . . . . A 619 VAL HG21 . 34760 1 593 . 1 . 1 53 53 VAL HG22 H 1 0.92 0.02 . 4 . . . . A 619 VAL HG22 . 34760 1 594 . 1 . 1 53 53 VAL HG23 H 1 0.92 0.02 . 4 . . . . A 619 VAL HG23 . 34760 1 595 . 1 . 1 53 53 VAL C C 13 175.45 0.2 . 1 . . . . A 619 VAL C . 34760 1 596 . 1 . 1 53 53 VAL CA C 13 60.891 0.2 . 1 . . . . A 619 VAL CA . 34760 1 597 . 1 . 1 53 53 VAL CB C 13 33.492 0.2 . 1 . . . . A 619 VAL CB . 34760 1 598 . 1 . 1 53 53 VAL CG1 C 13 22.754 0.2 . 4 . . . . A 619 VAL CG1 . 34760 1 599 . 1 . 1 53 53 VAL CG2 C 13 21.36 0.2 . 4 . . . . A 619 VAL CG2 . 34760 1 600 . 1 . 1 53 53 VAL N N 15 122.047 0.2 . 1 . . . . A 619 VAL N . 34760 1 601 . 1 . 1 54 54 THR H H 1 8.562 0.02 . 1 . . . . A 620 THR H . 34760 1 602 . 1 . 1 54 54 THR HA H 1 5.014 0.02 . 1 . . . . A 620 THR HA . 34760 1 603 . 1 . 1 54 54 THR HB H 1 4.134 0.02 . 1 . . . . A 620 THR HB . 34760 1 604 . 1 . 1 54 54 THR HG21 H 1 1.153 0.02 . 1 . . . . A 620 THR HG21 . 34760 1 605 . 1 . 1 54 54 THR HG22 H 1 1.153 0.02 . 1 . . . . A 620 THR HG22 . 34760 1 606 . 1 . 1 54 54 THR HG23 H 1 1.153 0.02 . 1 . . . . A 620 THR HG23 . 34760 1 607 . 1 . 1 54 54 THR C C 13 172.87 0.2 . 1 . . . . A 620 THR C . 34760 1 608 . 1 . 1 54 54 THR CA C 13 59.798 0.2 . 1 . . . . A 620 THR CA . 34760 1 609 . 1 . 1 54 54 THR CB C 13 72.381 0.2 . 1 . . . . A 620 THR CB . 34760 1 610 . 1 . 1 54 54 THR CG2 C 13 21.201 0.2 . 1 . . . . A 620 THR CG2 . 34760 1 611 . 1 . 1 54 54 THR N N 15 118.123 0.2 . 1 . . . . A 620 THR N . 34760 1 612 . 1 . 1 55 55 GLY H H 1 8.47 0.02 . 1 . . . . A 621 GLY H . 34760 1 613 . 1 . 1 55 55 GLY HA2 H 1 4.784 0.02 . 2 . . . . A 621 GLY HA2 . 34760 1 614 . 1 . 1 55 55 GLY HA3 H 1 3.856 0.02 . 2 . . . . A 621 GLY HA3 . 34760 1 615 . 1 . 1 55 55 GLY C C 13 172.26 0.2 . 1 . . . . A 621 GLY C . 34760 1 616 . 1 . 1 55 55 GLY CA C 13 44.38 0.2 . 1 . . . . A 621 GLY CA . 34760 1 617 . 1 . 1 55 55 GLY N N 15 109.293 0.2 . 1 . . . . A 621 GLY N . 34760 1 618 . 1 . 1 56 56 ASP H H 1 8.26 0.02 . 1 . . . . A 622 ASP H . 34760 1 619 . 1 . 1 56 56 ASP HA H 1 4.476 0.02 . 1 . . . . A 622 ASP HA . 34760 1 620 . 1 . 1 56 56 ASP HB2 H 1 2.607 0.02 . 1 . . . . A 622 ASP HB2 . 34760 1 621 . 1 . 1 56 56 ASP HB3 H 1 2.607 0.02 . 1 . . . . A 622 ASP HB3 . 34760 1 622 . 1 . 1 56 56 ASP C C 13 176.954 0.2 . 1 . . . . A 622 ASP C . 34760 1 623 . 1 . 1 56 56 ASP CA C 13 56.004 0.2 . 1 . . . . A 622 ASP CA . 34760 1 624 . 1 . 1 56 56 ASP CB C 13 43.104 0.2 . 1 . . . . A 622 ASP CB . 34760 1 625 . 1 . 1 56 56 ASP N N 15 122.246 0.2 . 1 . . . . A 622 ASP N . 34760 1 626 . 1 . 1 57 57 ALA H H 1 8.835 0.02 . 1 . . . . A 623 ALA H . 34760 1 627 . 1 . 1 57 57 ALA HA H 1 3.876 0.02 . 1 . . . . A 623 ALA HA . 34760 1 628 . 1 . 1 57 57 ALA HB1 H 1 1.47 0.02 . 1 . . . . A 623 ALA HB1 . 34760 1 629 . 1 . 1 57 57 ALA HB2 H 1 1.47 0.02 . 1 . . . . A 623 ALA HB2 . 34760 1 630 . 1 . 1 57 57 ALA HB3 H 1 1.47 0.02 . 1 . . . . A 623 ALA HB3 . 34760 1 631 . 1 . 1 57 57 ALA C C 13 178.902 0.2 . 1 . . . . A 623 ALA C . 34760 1 632 . 1 . 1 57 57 ALA CA C 13 56.048 0.2 . 1 . . . . A 623 ALA CA . 34760 1 633 . 1 . 1 57 57 ALA CB C 13 18.913 0.2 . 1 . . . . A 623 ALA CB . 34760 1 634 . 1 . 1 57 57 ALA N N 15 127.976 0.2 . 1 . . . . A 623 ALA N . 34760 1 635 . 1 . 1 58 58 GLY H H 1 8.547 0.02 . 1 . . . . A 624 GLY H . 34760 1 636 . 1 . 1 58 58 GLY HA2 H 1 3.898 0.02 . 1 . . . . A 624 GLY HA2 . 34760 1 637 . 1 . 1 58 58 GLY HA3 H 1 3.898 0.02 . 1 . . . . A 624 GLY HA3 . 34760 1 638 . 1 . 1 58 58 GLY C C 13 176.676 0.2 . 1 . . . . A 624 GLY C . 34760 1 639 . 1 . 1 58 58 GLY CA C 13 46.935 0.2 . 1 . . . . A 624 GLY CA . 34760 1 640 . 1 . 1 58 58 GLY N N 15 104.052 0.2 . 1 . . . . A 624 GLY N . 34760 1 641 . 1 . 1 59 59 ILE H H 1 7.685 0.02 . 1 . . . . A 625 ILE H . 34760 1 642 . 1 . 1 59 59 ILE HA H 1 3.888 0.02 . 1 . . . . A 625 ILE HA . 34760 1 643 . 1 . 1 59 59 ILE HB H 1 1.584 0.02 . 1 . . . . A 625 ILE HB . 34760 1 644 . 1 . 1 59 59 ILE HG12 H 1 0.822 0.02 . 1 . . . . A 625 ILE HG12 . 34760 1 645 . 1 . 1 59 59 ILE HG13 H 1 0.822 0.02 . 1 . . . . A 625 ILE HG13 . 34760 1 646 . 1 . 1 59 59 ILE HG21 H 1 0.373 0.02 . 1 . . . . A 625 ILE HG21 . 34760 1 647 . 1 . 1 59 59 ILE HG22 H 1 0.373 0.02 . 1 . . . . A 625 ILE HG22 . 34760 1 648 . 1 . 1 59 59 ILE HG23 H 1 0.373 0.02 . 1 . . . . A 625 ILE HG23 . 34760 1 649 . 1 . 1 59 59 ILE HD11 H 1 0.497 0.02 . 1 . . . . A 625 ILE HD11 . 34760 1 650 . 1 . 1 59 59 ILE HD12 H 1 0.497 0.02 . 1 . . . . A 625 ILE HD12 . 34760 1 651 . 1 . 1 59 59 ILE HD13 H 1 0.497 0.02 . 1 . . . . A 625 ILE HD13 . 34760 1 652 . 1 . 1 59 59 ILE C C 13 177.349 0.2 . 1 . . . . A 625 ILE C . 34760 1 653 . 1 . 1 59 59 ILE CA C 13 64.119 0.2 . 1 . . . . A 625 ILE CA . 34760 1 654 . 1 . 1 59 59 ILE CB C 13 37.935 0.2 . 1 . . . . A 625 ILE CB . 34760 1 655 . 1 . 1 59 59 ILE CG1 C 13 28.071 0.2 . 1 . . . . A 625 ILE CG1 . 34760 1 656 . 1 . 1 59 59 ILE CG2 C 13 18.087 0.2 . 1 . . . . A 625 ILE CG2 . 34760 1 657 . 1 . 1 59 59 ILE CD1 C 13 13.647 0.2 . 1 . . . . A 625 ILE CD1 . 34760 1 658 . 1 . 1 59 59 ILE N N 15 121.167 0.2 . 1 . . . . A 625 ILE N . 34760 1 659 . 1 . 1 60 60 VAL H H 1 8.418 0.02 . 1 . . . . A 626 VAL H . 34760 1 660 . 1 . 1 60 60 VAL HA H 1 3.132 0.02 . 1 . . . . A 626 VAL HA . 34760 1 661 . 1 . 1 60 60 VAL HB H 1 1.966 0.02 . 1 . . . . A 626 VAL HB . 34760 1 662 . 1 . 1 60 60 VAL HG11 H 1 0.701 0.02 . 4 . . . . A 626 VAL HG11 . 34760 1 663 . 1 . 1 60 60 VAL HG12 H 1 0.701 0.02 . 4 . . . . A 626 VAL HG12 . 34760 1 664 . 1 . 1 60 60 VAL HG13 H 1 0.701 0.02 . 4 . . . . A 626 VAL HG13 . 34760 1 665 . 1 . 1 60 60 VAL HG21 H 1 0.779 0.02 . 4 . . . . A 626 VAL HG21 . 34760 1 666 . 1 . 1 60 60 VAL HG22 H 1 0.779 0.02 . 4 . . . . A 626 VAL HG22 . 34760 1 667 . 1 . 1 60 60 VAL HG23 H 1 0.779 0.02 . 4 . . . . A 626 VAL HG23 . 34760 1 668 . 1 . 1 60 60 VAL C C 13 177.416 0.2 . 1 . . . . A 626 VAL C . 34760 1 669 . 1 . 1 60 60 VAL CA C 13 67.607 0.2 . 1 . . . . A 626 VAL CA . 34760 1 670 . 1 . 1 60 60 VAL CB C 13 31.609 0.2 . 1 . . . . A 626 VAL CB . 34760 1 671 . 1 . 1 60 60 VAL CG1 C 13 23.1 0.2 . 4 . . . . A 626 VAL CG1 . 34760 1 672 . 1 . 1 60 60 VAL CG2 C 13 21.357 0.2 . 4 . . . . A 626 VAL CG2 . 34760 1 673 . 1 . 1 60 60 VAL N N 15 121.983 0.2 . 1 . . . . A 626 VAL N . 34760 1 674 . 1 . 1 61 61 ASP H H 1 8.289 0.02 . 1 . . . . A 627 ASP H . 34760 1 675 . 1 . 1 61 61 ASP HA H 1 4.451 0.02 . 1 . . . . A 627 ASP HA . 34760 1 676 . 1 . 1 61 61 ASP HB2 H 1 2.689 0.02 . 2 . . . . A 627 ASP HB2 . 34760 1 677 . 1 . 1 61 61 ASP HB3 H 1 2.773 0.02 . 2 . . . . A 627 ASP HB3 . 34760 1 678 . 1 . 1 61 61 ASP C C 13 179.197 0.2 . 1 . . . . A 627 ASP C . 34760 1 679 . 1 . 1 61 61 ASP CA C 13 57.776 0.2 . 1 . . . . A 627 ASP CA . 34760 1 680 . 1 . 1 61 61 ASP CB C 13 40.167 0.2 . 1 . . . . A 627 ASP CB . 34760 1 681 . 1 . 1 61 61 ASP N N 15 117.838 0.2 . 1 . . . . A 627 ASP N . 34760 1 682 . 1 . 1 62 62 LYS H H 1 7.31 0.02 . 1 . . . . A 628 LYS H . 34760 1 683 . 1 . 1 62 62 LYS HA H 1 4.245 0.02 . 1 . . . . A 628 LYS HA . 34760 1 684 . 1 . 1 62 62 LYS HB2 H 1 2.098 0.02 . 1 . . . . A 628 LYS HB2 . 34760 1 685 . 1 . 1 62 62 LYS HB3 H 1 2.098 0.02 . 1 . . . . A 628 LYS HB3 . 34760 1 686 . 1 . 1 62 62 LYS HG2 H 1 1.544 0.02 . 1 . . . . A 628 LYS HG2 . 34760 1 687 . 1 . 1 62 62 LYS HG3 H 1 1.544 0.02 . 1 . . . . A 628 LYS HG3 . 34760 1 688 . 1 . 1 62 62 LYS HD2 H 1 1.648 0.02 . 1 . . . . A 628 LYS HD2 . 34760 1 689 . 1 . 1 62 62 LYS HD3 H 1 1.648 0.02 . 1 . . . . A 628 LYS HD3 . 34760 1 690 . 1 . 1 62 62 LYS HE2 H 1 2.594 0.02 . 1 . . . . A 628 LYS HE2 . 34760 1 691 . 1 . 1 62 62 LYS HE3 H 1 2.594 0.02 . 1 . . . . A 628 LYS HE3 . 34760 1 692 . 1 . 1 62 62 LYS C C 13 179.484 0.2 . 1 . . . . A 628 LYS C . 34760 1 693 . 1 . 1 62 62 LYS CA C 13 58.034 0.2 . 1 . . . . A 628 LYS CA . 34760 1 694 . 1 . 1 62 62 LYS CB C 13 31.919 0.2 . 1 . . . . A 628 LYS CB . 34760 1 695 . 1 . 1 62 62 LYS CG C 13 24.842 0.2 . 1 . . . . A 628 LYS CG . 34760 1 696 . 1 . 1 62 62 LYS CD C 13 28.252 0.2 . 1 . . . . A 628 LYS CD . 34760 1 697 . 1 . 1 62 62 LYS CE C 13 41.804 0.2 . 1 . . . . A 628 LYS CE . 34760 1 698 . 1 . 1 62 62 LYS N N 15 120.098 0.2 . 1 . . . . A 628 LYS N . 34760 1 699 . 1 . 1 63 63 ILE H H 1 8.748 0.02 . 1 . . . . A 629 ILE H . 34760 1 700 . 1 . 1 63 63 ILE HA H 1 3.477 0.02 . 1 . . . . A 629 ILE HA . 34760 1 701 . 1 . 1 63 63 ILE HB H 1 1.946 0.02 . 1 . . . . A 629 ILE HB . 34760 1 702 . 1 . 1 63 63 ILE HG12 H 1 1.731 0.02 . 1 . . . . A 629 ILE HG12 . 34760 1 703 . 1 . 1 63 63 ILE HG13 H 1 1.731 0.02 . 1 . . . . A 629 ILE HG13 . 34760 1 704 . 1 . 1 63 63 ILE HG21 H 1 0.879 0.02 . 1 . . . . A 629 ILE HG21 . 34760 1 705 . 1 . 1 63 63 ILE HG22 H 1 0.879 0.02 . 1 . . . . A 629 ILE HG22 . 34760 1 706 . 1 . 1 63 63 ILE HG23 H 1 0.879 0.02 . 1 . . . . A 629 ILE HG23 . 34760 1 707 . 1 . 1 63 63 ILE HD11 H 1 0.481 0.02 . 1 . . . . A 629 ILE HD11 . 34760 1 708 . 1 . 1 63 63 ILE HD12 H 1 0.481 0.02 . 1 . . . . A 629 ILE HD12 . 34760 1 709 . 1 . 1 63 63 ILE HD13 H 1 0.481 0.02 . 1 . . . . A 629 ILE HD13 . 34760 1 710 . 1 . 1 63 63 ILE C C 13 177.784 0.2 . 1 . . . . A 629 ILE C . 34760 1 711 . 1 . 1 63 63 ILE CA C 13 66.447 0.2 . 1 . . . . A 629 ILE CA . 34760 1 712 . 1 . 1 63 63 ILE CB C 13 37.669 0.2 . 1 . . . . A 629 ILE CB . 34760 1 713 . 1 . 1 63 63 ILE CG1 C 13 29.114 0.2 . 1 . . . . A 629 ILE CG1 . 34760 1 714 . 1 . 1 63 63 ILE CG2 C 13 17.73 0.2 . 1 . . . . A 629 ILE CG2 . 34760 1 715 . 1 . 1 63 63 ILE CD1 C 13 15.75 0.2 . 1 . . . . A 629 ILE CD1 . 34760 1 716 . 1 . 1 63 63 ILE N N 15 121.834 0.2 . 1 . . . . A 629 ILE N . 34760 1 717 . 1 . 1 64 64 ASN H H 1 8.699 0.02 . 1 . . . . A 630 ASN H . 34760 1 718 . 1 . 1 64 64 ASN HA H 1 4.535 0.02 . 1 . . . . A 630 ASN HA . 34760 1 719 . 1 . 1 64 64 ASN HB2 H 1 2.773 0.02 . 2 . . . . A 630 ASN HB2 . 34760 1 720 . 1 . 1 64 64 ASN HB3 H 1 2.884 0.02 . 2 . . . . A 630 ASN HB3 . 34760 1 721 . 1 . 1 64 64 ASN HD21 H 1 6.569 0.02 . 2 . . . . A 630 ASN HD21 . 34760 1 722 . 1 . 1 64 64 ASN HD22 H 1 7.556 0.02 . 2 . . . . A 630 ASN HD22 . 34760 1 723 . 1 . 1 64 64 ASN C C 13 178.356 0.2 . 1 . . . . A 630 ASN C . 34760 1 724 . 1 . 1 64 64 ASN CA C 13 56.236 0.2 . 1 . . . . A 630 ASN CA . 34760 1 725 . 1 . 1 64 64 ASN CB C 13 37.793 0.2 . 1 . . . . A 630 ASN CB . 34760 1 726 . 1 . 1 64 64 ASN N N 15 118.37 0.2 . 1 . . . . A 630 ASN N . 34760 1 727 . 1 . 1 64 64 ASN ND2 N 15 110.324 0.2 . 1 . . . . A 630 ASN ND2 . 34760 1 728 . 1 . 1 65 65 GLU H H 1 8.008 0.02 . 1 . . . . A 631 GLU H . 34760 1 729 . 1 . 1 65 65 GLU HA H 1 4.071 0.02 . 1 . . . . A 631 GLU HA . 34760 1 730 . 1 . 1 65 65 GLU HB2 H 1 2.255 0.02 . 1 . . . . A 631 GLU HB2 . 34760 1 731 . 1 . 1 65 65 GLU HB3 H 1 2.255 0.02 . 1 . . . . A 631 GLU HB3 . 34760 1 732 . 1 . 1 65 65 GLU HG2 H 1 2.418 0.02 . 1 . . . . A 631 GLU HG2 . 34760 1 733 . 1 . 1 65 65 GLU HG3 H 1 2.418 0.02 . 1 . . . . A 631 GLU HG3 . 34760 1 734 . 1 . 1 65 65 GLU C C 13 179.059 0.2 . 1 . . . . A 631 GLU C . 34760 1 735 . 1 . 1 65 65 GLU CA C 13 59.669 0.2 . 1 . . . . A 631 GLU CA . 34760 1 736 . 1 . 1 65 65 GLU CB C 13 29.718 0.2 . 1 . . . . A 631 GLU CB . 34760 1 737 . 1 . 1 65 65 GLU CG C 13 36.242 0.2 . 1 . . . . A 631 GLU CG . 34760 1 738 . 1 . 1 65 65 GLU N N 15 121.18 0.2 . 1 . . . . A 631 GLU N . 34760 1 739 . 1 . 1 66 66 CYS H H 1 8.04 0.02 . 1 . . . . A 632 CYS H . 34760 1 740 . 1 . 1 66 66 CYS HA H 1 4.114 0.02 . 1 . . . . A 632 CYS HA . 34760 1 741 . 1 . 1 66 66 CYS HB2 H 1 3.266 0.02 . 2 . . . . A 632 CYS HB2 . 34760 1 742 . 1 . 1 66 66 CYS HB3 H 1 2.692 0.02 . 2 . . . . A 632 CYS HB3 . 34760 1 743 . 1 . 1 66 66 CYS C C 13 176.996 0.2 . 1 . . . . A 632 CYS C . 34760 1 744 . 1 . 1 66 66 CYS CA C 13 64.005 0.2 . 1 . . . . A 632 CYS CA . 34760 1 745 . 1 . 1 66 66 CYS CB C 13 26.797 0.2 . 1 . . . . A 632 CYS CB . 34760 1 746 . 1 . 1 66 66 CYS N N 15 118.95 0.2 . 1 . . . . A 632 CYS N . 34760 1 747 . 1 . 1 67 67 ILE H H 1 8.632 0.02 . 1 . . . . A 633 ILE H . 34760 1 748 . 1 . 1 67 67 ILE HA H 1 3.57 0.02 . 1 . . . . A 633 ILE HA . 34760 1 749 . 1 . 1 67 67 ILE HB H 1 2.002 0.02 . 1 . . . . A 633 ILE HB . 34760 1 750 . 1 . 1 67 67 ILE HG12 H 1 0.989 0.02 . 2 . . . . A 633 ILE HG12 . 34760 1 751 . 1 . 1 67 67 ILE HG13 H 1 1.9 0.02 . 2 . . . . A 633 ILE HG13 . 34760 1 752 . 1 . 1 67 67 ILE HG21 H 1 0.924 0.02 . 1 . . . . A 633 ILE HG21 . 34760 1 753 . 1 . 1 67 67 ILE HG22 H 1 0.924 0.02 . 1 . . . . A 633 ILE HG22 . 34760 1 754 . 1 . 1 67 67 ILE HG23 H 1 0.924 0.02 . 1 . . . . A 633 ILE HG23 . 34760 1 755 . 1 . 1 67 67 ILE HD11 H 1 0.868 0.02 . 1 . . . . A 633 ILE HD11 . 34760 1 756 . 1 . 1 67 67 ILE HD12 H 1 0.868 0.02 . 1 . . . . A 633 ILE HD12 . 34760 1 757 . 1 . 1 67 67 ILE HD13 H 1 0.868 0.02 . 1 . . . . A 633 ILE HD13 . 34760 1 758 . 1 . 1 67 67 ILE C C 13 177.871 0.2 . 1 . . . . A 633 ILE C . 34760 1 759 . 1 . 1 67 67 ILE CA C 13 66.409 0.2 . 1 . . . . A 633 ILE CA . 34760 1 760 . 1 . 1 67 67 ILE CB C 13 38.182 0.2 . 1 . . . . A 633 ILE CB . 34760 1 761 . 1 . 1 67 67 ILE CG1 C 13 30.846 0.2 . 1 . . . . A 633 ILE CG1 . 34760 1 762 . 1 . 1 67 67 ILE CG2 C 13 17.119 0.2 . 1 . . . . A 633 ILE CG2 . 34760 1 763 . 1 . 1 67 67 ILE CD1 C 13 13.981 0.2 . 1 . . . . A 633 ILE CD1 . 34760 1 764 . 1 . 1 67 67 ILE N N 15 120.515 0.2 . 1 . . . . A 633 ILE N . 34760 1 765 . 1 . 1 68 68 LYS H H 1 7.874 0.02 . 1 . . . . A 634 LYS H . 34760 1 766 . 1 . 1 68 68 LYS HA H 1 4.054 0.02 . 1 . . . . A 634 LYS HA . 34760 1 767 . 1 . 1 68 68 LYS HB2 H 1 1.955 0.02 . 1 . . . . A 634 LYS HB2 . 34760 1 768 . 1 . 1 68 68 LYS HB3 H 1 1.955 0.02 . 1 . . . . A 634 LYS HB3 . 34760 1 769 . 1 . 1 68 68 LYS HG2 H 1 1.51 0.02 . 2 . . . . A 634 LYS HG2 . 34760 1 770 . 1 . 1 68 68 LYS HG3 H 1 1.635 0.02 . 2 . . . . A 634 LYS HG3 . 34760 1 771 . 1 . 1 68 68 LYS HD2 H 1 1.688 0.02 . 1 . . . . A 634 LYS HD2 . 34760 1 772 . 1 . 1 68 68 LYS HD3 H 1 1.688 0.02 . 1 . . . . A 634 LYS HD3 . 34760 1 773 . 1 . 1 68 68 LYS HE2 H 1 2.98 0.02 . 1 . . . . A 634 LYS HE2 . 34760 1 774 . 1 . 1 68 68 LYS HE3 H 1 2.98 0.02 . 1 . . . . A 634 LYS HE3 . 34760 1 775 . 1 . 1 68 68 LYS C C 13 179.535 0.2 . 1 . . . . A 634 LYS C . 34760 1 776 . 1 . 1 68 68 LYS CA C 13 59.441 0.2 . 1 . . . . A 634 LYS CA . 34760 1 777 . 1 . 1 68 68 LYS CB C 13 32.2 0.2 . 1 . . . . A 634 LYS CB . 34760 1 778 . 1 . 1 68 68 LYS CG C 13 25.177 0.2 . 1 . . . . A 634 LYS CG . 34760 1 779 . 1 . 1 68 68 LYS CD C 13 29.232 0.2 . 1 . . . . A 634 LYS CD . 34760 1 780 . 1 . 1 68 68 LYS CE C 13 42.091 0.2 . 1 . . . . A 634 LYS CE . 34760 1 781 . 1 . 1 68 68 LYS N N 15 119.086 0.2 . 1 . . . . A 634 LYS N . 34760 1 782 . 1 . 1 69 69 LYS H H 1 7.746 0.02 . 1 . . . . A 635 LYS H . 34760 1 783 . 1 . 1 69 69 LYS HA H 1 4.145 0.02 . 1 . . . . A 635 LYS HA . 34760 1 784 . 1 . 1 69 69 LYS HB2 H 1 2.016 0.02 . 1 . . . . A 635 LYS HB2 . 34760 1 785 . 1 . 1 69 69 LYS HB3 H 1 2.016 0.02 . 1 . . . . A 635 LYS HB3 . 34760 1 786 . 1 . 1 69 69 LYS HG2 H 1 1.488 0.02 . 1 . . . . A 635 LYS HG2 . 34760 1 787 . 1 . 1 69 69 LYS HG3 H 1 1.488 0.02 . 1 . . . . A 635 LYS HG3 . 34760 1 788 . 1 . 1 69 69 LYS HD2 H 1 1.706 0.02 . 1 . . . . A 635 LYS HD2 . 34760 1 789 . 1 . 1 69 69 LYS HD3 H 1 1.706 0.02 . 1 . . . . A 635 LYS HD3 . 34760 1 790 . 1 . 1 69 69 LYS HE2 H 1 3.02 0.02 . 1 . . . . A 635 LYS HE2 . 34760 1 791 . 1 . 1 69 69 LYS HE3 H 1 3.02 0.02 . 1 . . . . A 635 LYS HE3 . 34760 1 792 . 1 . 1 69 69 LYS C C 13 179.056 0.2 . 1 . . . . A 635 LYS C . 34760 1 793 . 1 . 1 69 69 LYS CA C 13 59.284 0.2 . 1 . . . . A 635 LYS CA . 34760 1 794 . 1 . 1 69 69 LYS CB C 13 32.545 0.2 . 1 . . . . A 635 LYS CB . 34760 1 795 . 1 . 1 69 69 LYS CG C 13 25.105 0.2 . 1 . . . . A 635 LYS CG . 34760 1 796 . 1 . 1 69 69 LYS CD C 13 29.699 0.2 . 1 . . . . A 635 LYS CD . 34760 1 797 . 1 . 1 69 69 LYS CE C 13 42.196 0.2 . 1 . . . . A 635 LYS CE . 34760 1 798 . 1 . 1 69 69 LYS N N 15 119.047 0.2 . 1 . . . . A 635 LYS N . 34760 1 799 . 1 . 1 70 70 ILE H H 1 7.971 0.02 . 1 . . . . A 636 ILE H . 34760 1 800 . 1 . 1 70 70 ILE HA H 1 3.921 0.02 . 1 . . . . A 636 ILE HA . 34760 1 801 . 1 . 1 70 70 ILE HB H 1 2.09 0.02 . 1 . . . . A 636 ILE HB . 34760 1 802 . 1 . 1 70 70 ILE HG12 H 1 1.79 0.02 . 2 . . . . A 636 ILE HG12 . 34760 1 803 . 1 . 1 70 70 ILE HG13 H 1 1.243 0.02 . 2 . . . . A 636 ILE HG13 . 34760 1 804 . 1 . 1 70 70 ILE HG21 H 1 0.984 0.02 . 1 . . . . A 636 ILE HG21 . 34760 1 805 . 1 . 1 70 70 ILE HG22 H 1 0.984 0.02 . 1 . . . . A 636 ILE HG22 . 34760 1 806 . 1 . 1 70 70 ILE HG23 H 1 0.984 0.02 . 1 . . . . A 636 ILE HG23 . 34760 1 807 . 1 . 1 70 70 ILE HD11 H 1 0.841 0.02 . 1 . . . . A 636 ILE HD11 . 34760 1 808 . 1 . 1 70 70 ILE HD12 H 1 0.841 0.02 . 1 . . . . A 636 ILE HD12 . 34760 1 809 . 1 . 1 70 70 ILE HD13 H 1 0.841 0.02 . 1 . . . . A 636 ILE HD13 . 34760 1 810 . 1 . 1 70 70 ILE C C 13 177.867 0.2 . 1 . . . . A 636 ILE C . 34760 1 811 . 1 . 1 70 70 ILE CA C 13 64.446 0.2 . 1 . . . . A 636 ILE CA . 34760 1 812 . 1 . 1 70 70 ILE CB C 13 38.099 0.2 . 1 . . . . A 636 ILE CB . 34760 1 813 . 1 . 1 70 70 ILE CG1 C 13 28.905 0.2 . 1 . . . . A 636 ILE CG1 . 34760 1 814 . 1 . 1 70 70 ILE CG2 C 13 18.081 0.2 . 1 . . . . A 636 ILE CG2 . 34760 1 815 . 1 . 1 70 70 ILE CD1 C 13 13.898 0.2 . 1 . . . . A 636 ILE CD1 . 34760 1 816 . 1 . 1 70 70 ILE N N 15 118.893 0.2 . 1 . . . . A 636 ILE N . 34760 1 817 . 1 . 1 71 71 GLU H H 1 8.369 0.02 . 1 . . . . A 637 GLU H . 34760 1 818 . 1 . 1 71 71 GLU HA H 1 4.046 0.02 . 1 . . . . A 637 GLU HA . 34760 1 819 . 1 . 1 71 71 GLU HB2 H 1 2.111 0.02 . 1 . . . . A 637 GLU HB2 . 34760 1 820 . 1 . 1 71 71 GLU HB3 H 1 2.111 0.02 . 1 . . . . A 637 GLU HB3 . 34760 1 821 . 1 . 1 71 71 GLU HG2 H 1 2.485 0.02 . 2 . . . . A 637 GLU HG2 . 34760 1 822 . 1 . 1 71 71 GLU HG3 H 1 2.286 0.02 . 2 . . . . A 637 GLU HG3 . 34760 1 823 . 1 . 1 71 71 GLU C C 13 178.024 0.2 . 1 . . . . A 637 GLU C . 34760 1 824 . 1 . 1 71 71 GLU CA C 13 59.004 0.2 . 1 . . . . A 637 GLU CA . 34760 1 825 . 1 . 1 71 71 GLU CB C 13 29.527 0.2 . 1 . . . . A 637 GLU CB . 34760 1 826 . 1 . 1 71 71 GLU CG C 13 36.778 0.2 . 1 . . . . A 637 GLU CG . 34760 1 827 . 1 . 1 71 71 GLU N N 15 119.896 0.2 . 1 . . . . A 637 GLU N . 34760 1 828 . 1 . 1 72 72 ALA H H 1 7.613 0.02 . 1 . . . . A 638 ALA H . 34760 1 829 . 1 . 1 72 72 ALA HA H 1 4.225 0.02 . 1 . . . . A 638 ALA HA . 34760 1 830 . 1 . 1 72 72 ALA HB1 H 1 1.518 0.02 . 1 . . . . A 638 ALA HB1 . 34760 1 831 . 1 . 1 72 72 ALA HB2 H 1 1.518 0.02 . 1 . . . . A 638 ALA HB2 . 34760 1 832 . 1 . 1 72 72 ALA HB3 H 1 1.518 0.02 . 1 . . . . A 638 ALA HB3 . 34760 1 833 . 1 . 1 72 72 ALA C C 13 179.155 0.2 . 1 . . . . A 638 ALA C . 34760 1 834 . 1 . 1 72 72 ALA CA C 13 54.047 0.2 . 1 . . . . A 638 ALA CA . 34760 1 835 . 1 . 1 72 72 ALA CB C 13 18.712 0.2 . 1 . . . . A 638 ALA CB . 34760 1 836 . 1 . 1 72 72 ALA N N 15 119.138 0.2 . 1 . . . . A 638 ALA N . 34760 1 837 . 1 . 1 73 73 ILE H H 1 7.572 0.02 . 1 . . . . A 639 ILE H . 34760 1 838 . 1 . 1 73 73 ILE HA H 1 3.967 0.02 . 1 . . . . A 639 ILE HA . 34760 1 839 . 1 . 1 73 73 ILE HB H 1 1.863 0.02 . 1 . . . . A 639 ILE HB . 34760 1 840 . 1 . 1 73 73 ILE HG12 H 1 1.548 0.02 . 2 . . . . A 639 ILE HG12 . 34760 1 841 . 1 . 1 73 73 ILE HG13 H 1 1.176 0.02 . 2 . . . . A 639 ILE HG13 . 34760 1 842 . 1 . 1 73 73 ILE HG21 H 1 0.646 0.02 . 1 . . . . A 639 ILE HG21 . 34760 1 843 . 1 . 1 73 73 ILE HG22 H 1 0.646 0.02 . 1 . . . . A 639 ILE HG22 . 34760 1 844 . 1 . 1 73 73 ILE HG23 H 1 0.646 0.02 . 1 . . . . A 639 ILE HG23 . 34760 1 845 . 1 . 1 73 73 ILE HD11 H 1 0.846 0.02 . 1 . . . . A 639 ILE HD11 . 34760 1 846 . 1 . 1 73 73 ILE HD12 H 1 0.846 0.02 . 1 . . . . A 639 ILE HD12 . 34760 1 847 . 1 . 1 73 73 ILE HD13 H 1 0.846 0.02 . 1 . . . . A 639 ILE HD13 . 34760 1 848 . 1 . 1 73 73 ILE C C 13 176.788 0.2 . 1 . . . . A 639 ILE C . 34760 1 849 . 1 . 1 73 73 ILE CA C 13 63.129 0.2 . 1 . . . . A 639 ILE CA . 34760 1 850 . 1 . 1 73 73 ILE CB C 13 38.721 0.2 . 1 . . . . A 639 ILE CB . 34760 1 851 . 1 . 1 73 73 ILE CG1 C 13 27.854 0.2 . 1 . . . . A 639 ILE CG1 . 34760 1 852 . 1 . 1 73 73 ILE CG2 C 13 17.324 0.2 . 1 . . . . A 639 ILE CG2 . 34760 1 853 . 1 . 1 73 73 ILE CD1 C 13 13.615 0.2 . 1 . . . . A 639 ILE CD1 . 34760 1 854 . 1 . 1 73 73 ILE N N 15 116.054 0.2 . 1 . . . . A 639 ILE N . 34760 1 855 . 1 . 1 74 74 TYR H H 1 7.84 0.02 . 1 . . . . A 640 TYR H . 34760 1 856 . 1 . 1 74 74 TYR HA H 1 4.493 0.02 . 1 . . . . A 640 TYR HA . 34760 1 857 . 1 . 1 74 74 TYR HB2 H 1 3.148 0.02 . 2 . . . . A 640 TYR HB2 . 34760 1 858 . 1 . 1 74 74 TYR HB3 H 1 2.898 0.02 . 2 . . . . A 640 TYR HB3 . 34760 1 859 . 1 . 1 74 74 TYR HD1 H 1 7.218 0.02 . 1 . . . . A 640 TYR HD1 . 34760 1 860 . 1 . 1 74 74 TYR HD2 H 1 7.218 0.02 . 1 . . . . A 640 TYR HD2 . 34760 1 861 . 1 . 1 74 74 TYR HE1 H 1 6.781 0.02 . 1 . . . . A 640 TYR HE1 . 34760 1 862 . 1 . 1 74 74 TYR HE2 H 1 6.781 0.02 . 1 . . . . A 640 TYR HE2 . 34760 1 863 . 1 . 1 74 74 TYR C C 13 175.746 0.2 . 1 . . . . A 640 TYR C . 34760 1 864 . 1 . 1 74 74 TYR CA C 13 59.09 0.2 . 1 . . . . A 640 TYR CA . 34760 1 865 . 1 . 1 74 74 TYR CB C 13 39.098 0.2 . 1 . . . . A 640 TYR CB . 34760 1 866 . 1 . 1 74 74 TYR CD1 C 13 133.054 0.2 . 1 . . . . A 640 TYR CD1 . 34760 1 867 . 1 . 1 74 74 TYR CD2 C 13 133.054 0.2 . 1 . . . . A 640 TYR CD2 . 34760 1 868 . 1 . 1 74 74 TYR N N 15 119.63 0.2 . 1 . . . . A 640 TYR N . 34760 1 869 . 1 . 1 75 75 LEU H H 1 7.801 0.02 . 1 . . . . A 641 LEU H . 34760 1 870 . 1 . 1 75 75 LEU HA H 1 4.386 0.02 . 1 . . . . A 641 LEU HA . 34760 1 871 . 1 . 1 75 75 LEU HB2 H 1 1.64 0.02 . 1 . . . . A 641 LEU HB2 . 34760 1 872 . 1 . 1 75 75 LEU HB3 H 1 1.64 0.02 . 1 . . . . A 641 LEU HB3 . 34760 1 873 . 1 . 1 75 75 LEU HG H 1 1.618 0.02 . 1 . . . . A 641 LEU HG . 34760 1 874 . 1 . 1 75 75 LEU HD11 H 1 0.937 0.02 . 4 . . . . A 641 LEU HD11 . 34760 1 875 . 1 . 1 75 75 LEU HD12 H 1 0.937 0.02 . 4 . . . . A 641 LEU HD12 . 34760 1 876 . 1 . 1 75 75 LEU HD13 H 1 0.937 0.02 . 4 . . . . A 641 LEU HD13 . 34760 1 877 . 1 . 1 75 75 LEU HD21 H 1 0.891 0.02 . 4 . . . . A 641 LEU HD21 . 34760 1 878 . 1 . 1 75 75 LEU HD22 H 1 0.891 0.02 . 4 . . . . A 641 LEU HD22 . 34760 1 879 . 1 . 1 75 75 LEU HD23 H 1 0.891 0.02 . 4 . . . . A 641 LEU HD23 . 34760 1 880 . 1 . 1 75 75 LEU C C 13 176.78 0.2 . 1 . . . . A 641 LEU C . 34760 1 881 . 1 . 1 75 75 LEU CA C 13 55.325 0.2 . 1 . . . . A 641 LEU CA . 34760 1 882 . 1 . 1 75 75 LEU CB C 13 42.361 0.2 . 1 . . . . A 641 LEU CB . 34760 1 883 . 1 . 1 75 75 LEU CG C 13 26.984 0.2 . 1 . . . . A 641 LEU CG . 34760 1 884 . 1 . 1 75 75 LEU CD1 C 13 24.974 0.2 . 4 . . . . A 641 LEU CD1 . 34760 1 885 . 1 . 1 75 75 LEU CD2 C 13 23.637 0.2 . 4 . . . . A 641 LEU CD2 . 34760 1 886 . 1 . 1 75 75 LEU N N 15 121.6 0.2 . 1 . . . . A 641 LEU N . 34760 1 887 . 1 . 1 76 76 ARG H H 1 7.981 0.02 . 1 . . . . A 642 ARG H . 34760 1 888 . 1 . 1 76 76 ARG HA H 1 4.371 0.02 . 1 . . . . A 642 ARG HA . 34760 1 889 . 1 . 1 76 76 ARG HB2 H 1 1.931 0.02 . 2 . . . . A 642 ARG HB2 . 34760 1 890 . 1 . 1 76 76 ARG HB3 H 1 1.79 0.02 . 2 . . . . A 642 ARG HB3 . 34760 1 891 . 1 . 1 76 76 ARG HG2 H 1 1.663 0.02 . 1 . . . . A 642 ARG HG2 . 34760 1 892 . 1 . 1 76 76 ARG HG3 H 1 1.663 0.02 . 1 . . . . A 642 ARG HG3 . 34760 1 893 . 1 . 1 76 76 ARG HD2 H 1 3.215 0.02 . 1 . . . . A 642 ARG HD2 . 34760 1 894 . 1 . 1 76 76 ARG HD3 H 1 3.215 0.02 . 1 . . . . A 642 ARG HD3 . 34760 1 895 . 1 . 1 76 76 ARG C C 13 175.099 0.2 . 1 . . . . A 642 ARG C . 34760 1 896 . 1 . 1 76 76 ARG CA C 13 55.997 0.2 . 1 . . . . A 642 ARG CA . 34760 1 897 . 1 . 1 76 76 ARG CB C 13 31.129 0.2 . 1 . . . . A 642 ARG CB . 34760 1 898 . 1 . 1 76 76 ARG CG C 13 26.892 0.2 . 1 . . . . A 642 ARG CG . 34760 1 899 . 1 . 1 76 76 ARG CD C 13 43.432 0.2 . 1 . . . . A 642 ARG CD . 34760 1 900 . 1 . 1 76 76 ARG N N 15 121.24 0.2 . 1 . . . . A 642 ARG N . 34760 1 901 . 1 . 1 77 77 ASP H H 1 7.938 0.02 . 1 . . . . A 643 ASP H . 34760 1 902 . 1 . 1 77 77 ASP HA H 1 4.387 0.02 . 1 . . . . A 643 ASP HA . 34760 1 903 . 1 . 1 77 77 ASP HB2 H 1 2.678 0.02 . 2 . . . . A 643 ASP HB2 . 34760 1 904 . 1 . 1 77 77 ASP HB3 H 1 2.574 0.02 . 2 . . . . A 643 ASP HB3 . 34760 1 905 . 1 . 1 77 77 ASP C C 13 180.857 0.2 . 1 . . . . A 643 ASP C . 34760 1 906 . 1 . 1 77 77 ASP CA C 13 55.923 0.2 . 1 . . . . A 643 ASP CA . 34760 1 907 . 1 . 1 77 77 ASP CB C 13 42.287 0.2 . 1 . . . . A 643 ASP CB . 34760 1 908 . 1 . 1 77 77 ASP N N 15 126.733 0.2 . 1 . . . . A 643 ASP N . 34760 1 stop_ save_