data_36418 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36418 _Entry.Title ; Solution structure of Terfa derived from Danio rerio ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-11 _Entry.Accession_date 2021-04-30 _Entry.Last_release_date 2021-04-30 _Entry.Original_release_date 2021-04-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 J. Yun J. H. . . 36418 2 M. Kim M. . . . 36418 3 W. Lee W. . . . 36418 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 36418 'Myb domain' . 36418 'Telomere binding protein' . 36418 'human telomeric DNA' . 36418 'plant telomeric DNA' . 36418 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36418 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 36418 '15N chemical shifts' 54 36418 '1H chemical shifts' 365 36418 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 1 . . 2025-11-01 . original BMRB . 36418 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7ELK 'BMRB Entry Tracking System' 36418 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36418 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of Terfa derived from Danio rerio ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 M. Kim M. . . . 36418 1 2 J. Yun J. H. . . 36418 1 3 W. Lee W. . . . 36418 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36418 _Assembly.ID 1 _Assembly.Name 'Terfa protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7469.786 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36418 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 SER 1 . A 513 SER . start . . 36418 1 . 1 1 10 ARG 10 . A 522 ARG . middle . . 36418 1 . 1 1 11 LYS 11 . A 523 LYS . middle . . 36418 1 . 1 1 12 MET 12 . A 524 MET . middle . . 36418 1 . 1 1 13 TRP 13 . A 525 TRP . middle . . 36418 1 . 1 1 14 SER 14 . A 526 SER . middle . . 36418 1 . 1 1 15 VAL 15 . A 527 VAL . middle . . 36418 1 . 1 1 16 GLN 16 . A 528 GLN . middle . . 36418 1 . 1 1 17 GLU 17 . A 529 GLU . middle . . 36418 1 . 1 1 18 SER 18 . A 530 SER . middle . . 36418 1 . 1 1 19 GLU 19 . A 531 GLU . middle . . 36418 1 . 1 1 2 THR 2 . A 514 THR . middle . . 36418 1 . 1 1 20 TRP 20 . A 532 TRP . middle . . 36418 1 . 1 1 21 LEU 21 . A 533 LEU . middle . . 36418 1 . 1 1 22 LYS 22 . A 534 LYS . middle . . 36418 1 . 1 1 23 GLN 23 . A 535 GLN . middle . . 36418 1 . 1 1 24 GLY 24 . A 536 GLY . middle no . 36418 1 . 1 1 25 VAL 25 . A 537 VAL . middle . . 36418 1 . 1 1 26 VAL 26 . A 538 VAL . middle . . 36418 1 . 1 1 27 ARG 27 . A 539 ARG . middle . . 36418 1 . 1 1 28 TYR 28 . A 540 TYR . middle . . 36418 1 . 1 1 29 GLY 29 . A 541 GLY . middle no . 36418 1 . 1 1 3 ALA 3 . A 515 ALA . middle . . 36418 1 . 1 1 30 VAL 30 . A 542 VAL . middle . . 36418 1 . 1 1 31 GLY 31 . A 543 GLY . middle no . 36418 1 . 1 1 32 HIS 32 . A 544 HIS . middle . . 36418 1 . 1 1 33 TRP 33 . A 545 TRP . middle . . 36418 1 . 1 1 34 GLU 34 . A 546 GLU . middle . . 36418 1 . 1 1 35 ARG 35 . A 547 ARG . middle . . 36418 1 . 1 1 36 ILE 36 . A 548 ILE . middle . . 36418 1 . 1 1 37 ARG 37 . A 549 ARG . middle . . 36418 1 . 1 1 38 SER 38 . A 550 SER . middle . . 36418 1 . 1 1 39 ALA 39 . A 551 ALA . middle . . 36418 1 . 1 1 4 PRO 4 . A 516 PRO . middle no . 36418 1 . 1 1 40 PHE 40 . A 552 PHE . middle . . 36418 1 . 1 1 41 PRO 41 . A 553 PRO . middle no . 36418 1 . 1 1 42 PHE 42 . A 554 PHE . middle . . 36418 1 . 1 1 43 ALA 43 . A 555 ALA . middle . . 36418 1 . 1 1 44 GLY 44 . A 556 GLY . middle no . 36418 1 . 1 1 45 ARG 45 . A 557 ARG . middle . . 36418 1 . 1 1 46 THR 46 . A 558 THR . middle . . 36418 1 . 1 1 47 ALA 47 . A 559 ALA . middle . . 36418 1 . 1 1 48 VAL 48 . A 560 VAL . middle . . 36418 1 . 1 1 49 ASN 49 . A 561 ASN . middle . . 36418 1 . 1 1 5 ALA 5 . A 517 ALA . middle . . 36418 1 . 1 1 50 LEU 50 . A 562 LEU . middle . . 36418 1 . 1 1 51 LYS 51 . A 563 LYS . middle . . 36418 1 . 1 1 52 ASP 52 . A 564 ASP . middle . . 36418 1 . 1 1 53 ARG 53 . A 565 ARG . middle . . 36418 1 . 1 1 54 TRP 54 . A 566 TRP . middle . . 36418 1 . 1 1 55 ARG 55 . A 567 ARG . middle . . 36418 1 . 1 1 56 THR 56 . A 568 THR . middle . . 36418 1 . 1 1 57 MET 57 . A 569 MET . middle . . 36418 1 . 1 1 58 VAL 58 . A 570 VAL . middle . . 36418 1 . 1 1 59 LYS 59 . A 571 LYS . middle . . 36418 1 . 1 1 6 LYS 6 . A 518 LYS . middle . . 36418 1 . 1 1 60 LEU 60 . A 572 LEU . middle . . 36418 1 . 1 1 61 LYS 61 . A 573 LYS . middle . . 36418 1 . 1 1 62 MET 62 . A 574 MET . middle . . 36418 1 . 1 1 63 VAL 63 . A 575 VAL . end . . 36418 1 . 1 1 7 LYS 7 . A 519 LYS . middle . . 36418 1 . 1 1 8 TYR 8 . A 520 TYR . middle . . 36418 1 . 1 1 9 THR 9 . A 521 THR . middle . . 36418 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36418 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Terfa protein' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; STAPAKKYTRKMWSVQESEW LKQGVVRYGVGHWERIRSAF PFAGRTAVNLKDRWRTMVKL KMV ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7469.786 _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 1 513 SER . 36418 1 2 514 THR . 36418 1 3 515 ALA . 36418 1 4 516 PRO . 36418 1 5 517 ALA . 36418 1 6 518 LYS . 36418 1 7 519 LYS . 36418 1 8 520 TYR . 36418 1 9 521 THR . 36418 1 10 522 ARG . 36418 1 11 523 LYS . 36418 1 12 524 MET . 36418 1 13 525 TRP . 36418 1 14 526 SER . 36418 1 15 527 VAL . 36418 1 16 528 GLN . 36418 1 17 529 GLU . 36418 1 18 530 SER . 36418 1 19 531 GLU . 36418 1 20 532 TRP . 36418 1 21 533 LEU . 36418 1 22 534 LYS . 36418 1 23 535 GLN . 36418 1 24 536 GLY . 36418 1 25 537 VAL . 36418 1 26 538 VAL . 36418 1 27 539 ARG . 36418 1 28 540 TYR . 36418 1 29 541 GLY . 36418 1 30 542 VAL . 36418 1 31 543 GLY . 36418 1 32 544 HIS . 36418 1 33 545 TRP . 36418 1 34 546 GLU . 36418 1 35 547 ARG . 36418 1 36 548 ILE . 36418 1 37 549 ARG . 36418 1 38 550 SER . 36418 1 39 551 ALA . 36418 1 40 552 PHE . 36418 1 41 553 PRO . 36418 1 42 554 PHE . 36418 1 43 555 ALA . 36418 1 44 556 GLY . 36418 1 45 557 ARG . 36418 1 46 558 THR . 36418 1 47 559 ALA . 36418 1 48 560 VAL . 36418 1 49 561 ASN . 36418 1 50 562 LEU . 36418 1 51 563 LYS . 36418 1 52 564 ASP . 36418 1 53 565 ARG . 36418 1 54 566 TRP . 36418 1 55 567 ARG . 36418 1 56 568 THR . 36418 1 57 569 MET . 36418 1 58 570 VAL . 36418 1 59 571 LYS . 36418 1 60 572 LEU . 36418 1 61 573 LYS . 36418 1 62 574 MET . 36418 1 63 575 VAL . 36418 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 . SER 1 1 36418 1 . THR 2 2 36418 1 . ALA 3 3 36418 1 . PRO 4 4 36418 1 . ALA 5 5 36418 1 . LYS 6 6 36418 1 . LYS 7 7 36418 1 . TYR 8 8 36418 1 . THR 9 9 36418 1 . ARG 10 10 36418 1 . LYS 11 11 36418 1 . MET 12 12 36418 1 . TRP 13 13 36418 1 . SER 14 14 36418 1 . VAL 15 15 36418 1 . GLN 16 16 36418 1 . GLU 17 17 36418 1 . SER 18 18 36418 1 . GLU 19 19 36418 1 . TRP 20 20 36418 1 . LEU 21 21 36418 1 . LYS 22 22 36418 1 . GLN 23 23 36418 1 . GLY 24 24 36418 1 . VAL 25 25 36418 1 . VAL 26 26 36418 1 . ARG 27 27 36418 1 . TYR 28 28 36418 1 . GLY 29 29 36418 1 . VAL 30 30 36418 1 . GLY 31 31 36418 1 . HIS 32 32 36418 1 . TRP 33 33 36418 1 . GLU 34 34 36418 1 . ARG 35 35 36418 1 . ILE 36 36 36418 1 . ARG 37 37 36418 1 . SER 38 38 36418 1 . ALA 39 39 36418 1 . PHE 40 40 36418 1 . PRO 41 41 36418 1 . PHE 42 42 36418 1 . ALA 43 43 36418 1 . GLY 44 44 36418 1 . ARG 45 45 36418 1 . THR 46 46 36418 1 . ALA 47 47 36418 1 . VAL 48 48 36418 1 . ASN 49 49 36418 1 . LEU 50 50 36418 1 . LYS 51 51 36418 1 . ASP 52 52 36418 1 . ARG 53 53 36418 1 . TRP 54 54 36418 1 . ARG 55 55 36418 1 . THR 56 56 36418 1 . MET 57 57 36418 1 . VAL 58 58 36418 1 . LYS 59 59 36418 1 . LEU 60 60 36418 1 . LYS 61 61 36418 1 . MET 62 62 36418 1 . VAL 63 63 36418 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 36418 _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 . 7955 organism . 'Danio rerio' 'leopard danio' . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . terfa . 36418 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 36418 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36418 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36418 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] Terfa, 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 Terfa '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36418 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36418 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36418 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36418 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-15N] Terfa, 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 Terfa [U-15N] 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36418 2 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36418 2 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36418 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36418 _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' 50 . mM 36418 1 pH 6.0 . pH* 36418 1 pressure 1 . atm 36418 1 temperature 298 . K 36418 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36418 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 2.2.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36418 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36418 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36418 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version 2.2.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36418 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36418 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36418 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36418 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36418 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36418 _Software.ID 4 _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 . . 36418 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36418 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36418 _Software.ID 5 _Software.Type . _Software.Name XwinNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36418 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36418 5 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 36418 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36418 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36418 _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 DRX' . 600 . . . 36418 1 2 NMR_spectrometer_2 Bruker 'AVANCE DRX' . 850 . . . 36418 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36418 _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 3D-NOESY . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36418 1 2 '3D HCCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36418 1 3 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36418 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36418 1 5 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36418 1 6 '3D 1H-15N NOESY' . . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36418 1 7 '2D 1H-15N HSQC NH2 only' . . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36418 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 36418 _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 . . . . . 36418 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36418 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36418 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 36418 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D-NOESY 1 $sample_1 anisotropic 36418 1 2 '3D HCCH-TOCSY' 1 $sample_1 anisotropic 36418 1 3 '3D HNCACB' 1 $sample_1 anisotropic 36418 1 4 '3D CBCA(CO)NH' 1 $sample_1 anisotropic 36418 1 5 '3D HNCO' 1 $sample_1 anisotropic 36418 1 6 '3D 1H-15N NOESY' 2 $sample_2 anisotropic 36418 1 7 '2D 1H-15N HSQC NH2 only' 1 $sample_1 anisotropic 36418 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 2 2 THR C C 13 173.291 0.000 . 1 . . . . A 514 THR C . 36418 1 2 . 1 . 1 2 2 THR CA C 13 61.684 0.063 . 1 . . . . A 514 THR CA . 36418 1 3 . 1 . 1 2 2 THR CB C 13 69.946 0.001 . 1 . . . . A 514 THR CB . 36418 1 4 . 1 . 1 3 3 ALA H H 1 8.127 0.004 . 1 . . . . A 515 ALA H . 36418 1 5 . 1 . 1 3 3 ALA HA H 1 4.358 0.004 . 1 . . . . A 515 ALA HA . 36418 1 6 . 1 . 1 3 3 ALA HB1 H 1 1.240 0.005 . 1 . . . . A 515 ALA HB1 . 36418 1 7 . 1 . 1 3 3 ALA HB2 H 1 1.240 0.005 . 1 . . . . A 515 ALA HB2 . 36418 1 8 . 1 . 1 3 3 ALA HB3 H 1 1.240 0.005 . 1 . . . . A 515 ALA HB3 . 36418 1 9 . 1 . 1 3 3 ALA CA C 13 50.273 0.124 . 1 . . . . A 515 ALA CA . 36418 1 10 . 1 . 1 3 3 ALA CB C 13 19.297 0.083 . 1 . . . . A 515 ALA CB . 36418 1 11 . 1 . 1 3 3 ALA N N 15 126.532 0.050 . 1 . . . . A 515 ALA N . 36418 1 12 . 1 . 1 4 4 PRO HA H 1 4.314 0.009 . 1 . . . . A 516 PRO HA . 36418 1 13 . 1 . 1 4 4 PRO HB2 H 1 2.215 0.010 . . . . . . A 516 PRO HB2 . 36418 1 14 . 1 . 1 4 4 PRO HB3 H 1 1.820 0.007 . . . . . . A 516 PRO HB3 . 36418 1 15 . 1 . 1 4 4 PRO HG2 H 1 1.947 0.006 . . . . . . A 516 PRO HG2 . 36418 1 16 . 1 . 1 4 4 PRO HG3 H 1 1.947 0.006 . . . . . . A 516 PRO HG3 . 36418 1 17 . 1 . 1 4 4 PRO HD2 H 1 3.737 0.003 . . . . . . A 516 PRO HD2 . 36418 1 18 . 1 . 1 4 4 PRO HD3 H 1 3.563 0.005 . . . . . . A 516 PRO HD3 . 36418 1 19 . 1 . 1 4 4 PRO C C 13 176.605 0.000 . 1 . . . . A 516 PRO C . 36418 1 20 . 1 . 1 4 4 PRO CA C 13 62.977 0.040 . 1 . . . . A 516 PRO CA . 36418 1 21 . 1 . 1 4 4 PRO CB C 13 31.988 0.053 . 1 . . . . A 516 PRO CB . 36418 1 22 . 1 . 1 4 4 PRO CG C 13 27.384 0.018 . 1 . . . . A 516 PRO CG . 36418 1 23 . 1 . 1 4 4 PRO CD C 13 50.474 0.023 . 1 . . . . A 516 PRO CD . 36418 1 24 . 1 . 1 5 5 ALA H H 1 8.291 0.002 . 1 . . . . A 517 ALA H . 36418 1 25 . 1 . 1 5 5 ALA HA H 1 4.186 0.003 . 1 . . . . A 517 ALA HA . 36418 1 26 . 1 . 1 5 5 ALA HB1 H 1 1.303 0.002 . 1 . . . . A 517 ALA HB1 . 36418 1 27 . 1 . 1 5 5 ALA HB2 H 1 1.303 0.002 . 1 . . . . A 517 ALA HB2 . 36418 1 28 . 1 . 1 5 5 ALA HB3 H 1 1.303 0.002 . 1 . . . . A 517 ALA HB3 . 36418 1 29 . 1 . 1 5 5 ALA CA C 13 52.315 0.034 . 1 . . . . A 517 ALA CA . 36418 1 30 . 1 . 1 5 5 ALA CB C 13 19.061 0.080 . 1 . . . . A 517 ALA CB . 36418 1 31 . 1 . 1 5 5 ALA N N 15 124.345 0.025 . 1 . . . . A 517 ALA N . 36418 1 32 . 1 . 1 7 7 LYS HA H 1 4.189 0.000 . 1 . . . . A 519 LYS HA . 36418 1 33 . 1 . 1 7 7 LYS HB2 H 1 1.590 0.000 . . . . . . A 519 LYS HB2 . 36418 1 34 . 1 . 1 7 7 LYS HB3 H 1 1.324 0.000 . . . . . . A 519 LYS HB3 . 36418 1 35 . 1 . 1 7 7 LYS C C 13 175.968 0.000 . 1 . . . . A 519 LYS C . 36418 1 36 . 1 . 1 7 7 LYS CA C 13 56.258 0.008 . 1 . . . . A 519 LYS CA . 36418 1 37 . 1 . 1 7 7 LYS CB C 13 33.230 0.000 . 1 . . . . A 519 LYS CB . 36418 1 38 . 1 . 1 8 8 TYR H H 1 8.185 0.005 . 1 . . . . A 520 TYR H . 36418 1 39 . 1 . 1 8 8 TYR HA H 1 4.585 0.006 . 1 . . . . A 520 TYR HA . 36418 1 40 . 1 . 1 8 8 TYR HB2 H 1 2.975 0.005 . . . . . . A 520 TYR HB2 . 36418 1 41 . 1 . 1 8 8 TYR HB3 H 1 2.868 0.002 . . . . . . A 520 TYR HB3 . 36418 1 42 . 1 . 1 8 8 TYR CA C 13 57.522 0.028 . 1 . . . . A 520 TYR CA . 36418 1 43 . 1 . 1 8 8 TYR CB C 13 38.948 0.018 . 1 . . . . A 520 TYR CB . 36418 1 44 . 1 . 1 8 8 TYR N N 15 121.739 0.085 . 1 . . . . A 520 TYR N . 36418 1 45 . 1 . 1 9 9 THR HA H 1 4.283 0.005 . 1 . . . . A 521 THR HA . 36418 1 46 . 1 . 1 9 9 THR HB H 1 4.134 0.002 . 1 . . . . A 521 THR HB . 36418 1 47 . 1 . 1 9 9 THR HG21 H 1 1.135 0.002 . 1 . . . . A 521 THR HG21 . 36418 1 48 . 1 . 1 9 9 THR HG22 H 1 1.135 0.002 . 1 . . . . A 521 THR HG22 . 36418 1 49 . 1 . 1 9 9 THR HG23 H 1 1.135 0.002 . 1 . . . . A 521 THR HG23 . 36418 1 50 . 1 . 1 9 9 THR C C 13 173.898 0.005 . 1 . . . . A 521 THR C . 36418 1 51 . 1 . 1 9 9 THR CA C 13 61.590 0.034 . 1 . . . . A 521 THR CA . 36418 1 52 . 1 . 1 9 9 THR CB C 13 69.842 0.014 . 1 . . . . A 521 THR CB . 36418 1 53 . 1 . 1 9 9 THR CG2 C 13 21.573 0.013 . 1 . . . . A 521 THR CG2 . 36418 1 54 . 1 . 1 10 10 ARG H H 1 8.290 0.002 . 1 . . . . A 522 ARG H . 36418 1 55 . 1 . 1 10 10 ARG CA C 13 50.564 0.012 . 1 . . . . A 522 ARG CA . 36418 1 56 . 1 . 1 10 10 ARG CB C 13 17.979 0.000 . 1 . . . . A 522 ARG CB . 36418 1 57 . 1 . 1 10 10 ARG N N 15 128.268 0.034 . 1 . . . . A 522 ARG N . 36418 1 58 . 1 . 1 11 11 LYS HA H 1 4.193 0.000 . 1 . . . . A 523 LYS HA . 36418 1 59 . 1 . 1 11 11 LYS HB2 H 1 1.574 0.000 . . . . . . A 523 LYS HB2 . 36418 1 60 . 1 . 1 11 11 LYS HB3 H 1 1.316 0.000 . . . . . . A 523 LYS HB3 . 36418 1 61 . 1 . 1 11 11 LYS C C 13 177.801 0.000 . 1 . . . . A 523 LYS C . 36418 1 62 . 1 . 1 11 11 LYS CA C 13 52.374 0.031 . 1 . . . . A 523 LYS CA . 36418 1 63 . 1 . 1 11 11 LYS CB C 13 19.059 0.112 . 1 . . . . A 523 LYS CB . 36418 1 64 . 1 . 1 12 12 MET H H 1 8.188 0.003 . 1 . . . . A 524 MET H . 36418 1 65 . 1 . 1 12 12 MET HA H 1 4.402 0.005 . 1 . . . . A 524 MET HA . 36418 1 66 . 1 . 1 12 12 MET HB2 H 1 2.004 0.007 . . . . . . A 524 MET HB2 . 36418 1 67 . 1 . 1 12 12 MET HB3 H 1 2.004 0.007 . . . . . . A 524 MET HB3 . 36418 1 68 . 1 . 1 12 12 MET HG2 H 1 2.556 0.006 . . . . . . A 524 MET HG2 . 36418 1 69 . 1 . 1 12 12 MET HG3 H 1 2.556 0.006 . . . . . . A 524 MET HG3 . 36418 1 70 . 1 . 1 12 12 MET C C 13 176.560 0.000 . 1 . . . . A 524 MET C . 36418 1 71 . 1 . 1 12 12 MET CA C 13 55.952 0.093 . 1 . . . . A 524 MET CA . 36418 1 72 . 1 . 1 12 12 MET CB C 13 32.965 0.041 . 1 . . . . A 524 MET CB . 36418 1 73 . 1 . 1 12 12 MET CG C 13 32.108 0.192 . 1 . . . . A 524 MET CG . 36418 1 74 . 1 . 1 12 12 MET N N 15 120.928 0.050 . 1 . . . . A 524 MET N . 36418 1 75 . 1 . 1 13 13 TRP H H 1 8.815 0.006 . 1 . . . . A 525 TRP H . 36418 1 76 . 1 . 1 13 13 TRP HA H 1 4.238 0.012 . 1 . . . . A 525 TRP HA . 36418 1 77 . 1 . 1 13 13 TRP HB2 H 1 2.955 0.004 . . . . . . A 525 TRP HB2 . 36418 1 78 . 1 . 1 13 13 TRP HB3 H 1 2.882 0.005 . . . . . . A 525 TRP HB3 . 36418 1 79 . 1 . 1 13 13 TRP C C 13 176.646 0.000 . 1 . . . . A 525 TRP C . 36418 1 80 . 1 . 1 13 13 TRP CA C 13 58.400 0.101 . 1 . . . . A 525 TRP CA . 36418 1 81 . 1 . 1 13 13 TRP CB C 13 28.447 0.048 . 1 . . . . A 525 TRP CB . 36418 1 82 . 1 . 1 13 13 TRP N N 15 124.972 0.042 . 1 . . . . A 525 TRP N . 36418 1 83 . 1 . 1 14 14 SER H H 1 8.765 0.047 . 1 . . . . A 526 SER H . 36418 1 84 . 1 . 1 14 14 SER HA H 1 4.652 0.008 . 1 . . . . A 526 SER HA . 36418 1 85 . 1 . 1 14 14 SER HB2 H 1 4.307 0.005 . . . . . . A 526 SER HB2 . 36418 1 86 . 1 . 1 14 14 SER HB3 H 1 3.953 0.005 . . . . . . A 526 SER HB3 . 36418 1 87 . 1 . 1 14 14 SER CA C 13 56.350 0.058 . 1 . . . . A 526 SER CA . 36418 1 88 . 1 . 1 14 14 SER CB C 13 66.203 0.062 . 1 . . . . A 526 SER CB . 36418 1 89 . 1 . 1 14 14 SER N N 15 121.226 0.033 . 1 . . . . A 526 SER N . 36418 1 90 . 1 . 1 15 15 VAL HA H 1 3.733 0.005 . 1 . . . . A 527 VAL HA . 36418 1 91 . 1 . 1 15 15 VAL HB H 1 1.921 0.006 . 1 . . . . A 527 VAL HB . 36418 1 92 . 1 . 1 15 15 VAL HG11 H 1 1.006 0.006 . . . . . . A 527 VAL HG11 . 36418 1 93 . 1 . 1 15 15 VAL HG12 H 1 1.006 0.006 . . . . . . A 527 VAL HG12 . 36418 1 94 . 1 . 1 15 15 VAL HG13 H 1 1.006 0.006 . . . . . . A 527 VAL HG13 . 36418 1 95 . 1 . 1 15 15 VAL HG21 H 1 0.864 0.005 . . . . . . A 527 VAL HG21 . 36418 1 96 . 1 . 1 15 15 VAL HG22 H 1 0.864 0.005 . . . . . . A 527 VAL HG22 . 36418 1 97 . 1 . 1 15 15 VAL HG23 H 1 0.864 0.005 . . . . . . A 527 VAL HG23 . 36418 1 98 . 1 . 1 15 15 VAL C C 13 178.304 0.000 . 1 . . . . A 527 VAL C . 36418 1 99 . 1 . 1 15 15 VAL CA C 13 66.384 0.037 . 1 . . . . A 527 VAL CA . 36418 1 100 . 1 . 1 15 15 VAL CB C 13 31.698 0.091 . 1 . . . . A 527 VAL CB . 36418 1 101 . 1 . 1 15 15 VAL CG1 C 13 22.142 0.022 . . . . . . A 527 VAL CG1 . 36418 1 102 . 1 . 1 15 15 VAL CG2 C 13 20.899 0.038 . . . . . . A 527 VAL CG2 . 36418 1 103 . 1 . 1 16 16 GLN H H 1 8.122 0.003 . 1 . . . . A 528 GLN H . 36418 1 104 . 1 . 1 16 16 GLN HA H 1 3.558 0.005 . 1 . . . . A 528 GLN HA . 36418 1 105 . 1 . 1 16 16 GLN HB2 H 1 1.588 0.005 . . . . . . A 528 GLN HB2 . 36418 1 106 . 1 . 1 16 16 GLN HB3 H 1 1.236 0.008 . . . . . . A 528 GLN HB3 . 36418 1 107 . 1 . 1 16 16 GLN HG2 H 1 1.198 0.007 . . . . . . A 528 GLN HG2 . 36418 1 108 . 1 . 1 16 16 GLN HG3 H 1 1.120 0.005 . . . . . . A 528 GLN HG3 . 36418 1 109 . 1 . 1 16 16 GLN C C 13 177.265 0.000 . 1 . . . . A 528 GLN C . 36418 1 110 . 1 . 1 16 16 GLN CA C 13 58.538 0.037 . 1 . . . . A 528 GLN CA . 36418 1 111 . 1 . 1 16 16 GLN CB C 13 28.316 0.053 . 1 . . . . A 528 GLN CB . 36418 1 112 . 1 . 1 16 16 GLN CG C 13 33.380 0.006 . 1 . . . . A 528 GLN CG . 36418 1 113 . 1 . 1 16 16 GLN N N 15 119.169 0.027 . 1 . . . . A 528 GLN N . 36418 1 114 . 1 . 1 17 17 GLU H H 1 7.602 0.004 . 1 . . . . A 529 GLU H . 36418 1 115 . 1 . 1 17 17 GLU HA H 1 3.774 0.008 . 1 . . . . A 529 GLU HA . 36418 1 116 . 1 . 1 17 17 GLU HB2 H 1 2.328 0.001 . . . . . . A 529 GLU HB2 . 36418 1 117 . 1 . 1 17 17 GLU HB3 H 1 2.248 0.001 . . . . . . A 529 GLU HB3 . 36418 1 118 . 1 . 1 17 17 GLU C C 13 179.227 0.000 . 1 . . . . A 529 GLU C . 36418 1 119 . 1 . 1 17 17 GLU CA C 13 59.415 0.035 . 1 . . . . A 529 GLU CA . 36418 1 120 . 1 . 1 17 17 GLU CB C 13 31.973 0.004 . 1 . . . . A 529 GLU CB . 36418 1 121 . 1 . 1 17 17 GLU CG C 13 39.010 0.000 . 1 . . . . A 529 GLU CG . 36418 1 122 . 1 . 1 17 17 GLU N N 15 117.189 0.019 . 1 . . . . A 529 GLU N . 36418 1 123 . 1 . 1 18 18 SER H H 1 8.049 0.004 . 1 . . . . A 530 SER H . 36418 1 124 . 1 . 1 18 18 SER HA H 1 4.300 0.024 . 1 . . . . A 530 SER HA . 36418 1 125 . 1 . 1 18 18 SER HB2 H 1 3.907 0.011 . . . . . . A 530 SER HB2 . 36418 1 126 . 1 . 1 18 18 SER HB3 H 1 3.907 0.011 . . . . . . A 530 SER HB3 . 36418 1 127 . 1 . 1 18 18 SER C C 13 175.419 0.000 . 1 . . . . A 530 SER C . 36418 1 128 . 1 . 1 18 18 SER CA C 13 63.161 0.062 . 1 . . . . A 530 SER CA . 36418 1 129 . 1 . 1 18 18 SER CB C 13 63.093 0.010 . 1 . . . . A 530 SER CB . 36418 1 130 . 1 . 1 18 18 SER N N 15 115.676 0.029 . 1 . . . . A 530 SER N . 36418 1 131 . 1 . 1 19 19 GLU H H 1 8.107 0.003 . 1 . . . . A 531 GLU H . 36418 1 132 . 1 . 1 19 19 GLU HA H 1 4.043 0.008 . 1 . . . . A 531 GLU HA . 36418 1 133 . 1 . 1 19 19 GLU HB2 H 1 1.929 0.009 . . . . . . A 531 GLU HB2 . 36418 1 134 . 1 . 1 19 19 GLU HB3 H 1 1.929 0.009 . . . . . . A 531 GLU HB3 . 36418 1 135 . 1 . 1 19 19 GLU HG2 H 1 2.231 0.006 . . . . . . A 531 GLU HG2 . 36418 1 136 . 1 . 1 19 19 GLU HG3 H 1 2.231 0.006 . . . . . . A 531 GLU HG3 . 36418 1 137 . 1 . 1 19 19 GLU C C 13 179.529 0.000 . 1 . . . . A 531 GLU C . 36418 1 138 . 1 . 1 19 19 GLU CA C 13 59.097 0.032 . 1 . . . . A 531 GLU CA . 36418 1 139 . 1 . 1 19 19 GLU CB C 13 28.722 0.045 . 1 . . . . A 531 GLU CB . 36418 1 140 . 1 . 1 19 19 GLU CG C 13 36.058 0.016 . 1 . . . . A 531 GLU CG . 36418 1 141 . 1 . 1 19 19 GLU N N 15 121.965 0.025 . 1 . . . . A 531 GLU N . 36418 1 142 . 1 . 1 20 20 TRP H H 1 8.156 0.003 . 1 . . . . A 532 TRP H . 36418 1 143 . 1 . 1 20 20 TRP HA H 1 3.946 0.008 . 1 . . . . A 532 TRP HA . 36418 1 144 . 1 . 1 20 20 TRP HB2 H 1 1.987 0.005 . . . . . . A 532 TRP HB2 . 36418 1 145 . 1 . 1 20 20 TRP HB3 H 1 3.201 0.010 . . . . . . A 532 TRP HB3 . 36418 1 146 . 1 . 1 20 20 TRP HE1 H 1 9.938 0.001 . 1 . . . . A 532 TRP HE1 . 36418 1 147 . 1 . 1 20 20 TRP C C 13 177.987 0.000 . 1 . . . . A 532 TRP C . 36418 1 148 . 1 . 1 20 20 TRP CA C 13 58.035 0.027 . 1 . . . . A 532 TRP CA . 36418 1 149 . 1 . 1 20 20 TRP CB C 13 29.343 0.047 . 1 . . . . A 532 TRP CB . 36418 1 150 . 1 . 1 20 20 TRP N N 15 121.194 0.025 . 1 . . . . A 532 TRP N . 36418 1 151 . 1 . 1 20 20 TRP NE1 N 15 127.379 0.022 . 1 . . . . A 532 TRP NE1 . 36418 1 152 . 1 . 1 21 21 LEU H H 1 8.303 0.005 . 1 . . . . A 533 LEU H . 36418 1 153 . 1 . 1 21 21 LEU HA H 1 4.196 0.012 . 1 . . . . A 533 LEU HA . 36418 1 154 . 1 . 1 21 21 LEU HB2 H 1 1.921 0.009 . . . . . . A 533 LEU HB2 . 36418 1 155 . 1 . 1 21 21 LEU HB3 H 1 2.452 0.009 . . . . . . A 533 LEU HB3 . 36418 1 156 . 1 . 1 21 21 LEU HG H 1 2.012 0.007 . 1 . . . . A 533 LEU HG . 36418 1 157 . 1 . 1 21 21 LEU HD11 H 1 1.067 0.005 . . . . . . A 533 LEU HD11 . 36418 1 158 . 1 . 1 21 21 LEU HD12 H 1 1.067 0.005 . . . . . . A 533 LEU HD12 . 36418 1 159 . 1 . 1 21 21 LEU HD13 H 1 1.067 0.005 . . . . . . A 533 LEU HD13 . 36418 1 160 . 1 . 1 21 21 LEU HD21 H 1 1.188 0.004 . . . . . . A 533 LEU HD21 . 36418 1 161 . 1 . 1 21 21 LEU HD22 H 1 1.188 0.004 . . . . . . A 533 LEU HD22 . 36418 1 162 . 1 . 1 21 21 LEU HD23 H 1 1.188 0.004 . . . . . . A 533 LEU HD23 . 36418 1 163 . 1 . 1 21 21 LEU C C 13 177.791 0.000 . 1 . . . . A 533 LEU C . 36418 1 164 . 1 . 1 21 21 LEU CA C 13 58.938 0.032 . 1 . . . . A 533 LEU CA . 36418 1 165 . 1 . 1 21 21 LEU CB C 13 42.650 0.041 . 1 . . . . A 533 LEU CB . 36418 1 166 . 1 . 1 21 21 LEU CG C 13 27.675 0.096 . 1 . . . . A 533 LEU CG . 36418 1 167 . 1 . 1 21 21 LEU CD1 C 13 27.547 0.032 . . . . . . A 533 LEU CD1 . 36418 1 168 . 1 . 1 21 21 LEU CD2 C 13 24.839 0.028 . . . . . . A 533 LEU CD2 . 36418 1 169 . 1 . 1 21 21 LEU N N 15 118.986 0.025 . 1 . . . . A 533 LEU N . 36418 1 170 . 1 . 1 22 22 LYS H H 1 7.988 0.004 . 1 . . . . A 534 LYS H . 36418 1 171 . 1 . 1 22 22 LYS HA H 1 4.129 0.007 . 1 . . . . A 534 LYS HA . 36418 1 172 . 1 . 1 22 22 LYS HB2 H 1 2.051 0.010 . . . . . . A 534 LYS HB2 . 36418 1 173 . 1 . 1 22 22 LYS HB3 H 1 2.051 0.010 . . . . . . A 534 LYS HB3 . 36418 1 174 . 1 . 1 22 22 LYS HG2 H 1 1.855 0.008 . . . . . . A 534 LYS HG2 . 36418 1 175 . 1 . 1 22 22 LYS HG3 H 1 1.593 0.004 . . . . . . A 534 LYS HG3 . 36418 1 176 . 1 . 1 22 22 LYS HD2 H 1 1.726 0.005 . . . . . . A 534 LYS HD2 . 36418 1 177 . 1 . 1 22 22 LYS HD3 H 1 1.726 0.005 . . . . . . A 534 LYS HD3 . 36418 1 178 . 1 . 1 22 22 LYS HE2 H 1 2.874 0.006 . . . . . . A 534 LYS HE2 . 36418 1 179 . 1 . 1 22 22 LYS HE3 H 1 2.874 0.006 . . . . . . A 534 LYS HE3 . 36418 1 180 . 1 . 1 22 22 LYS C C 13 179.236 0.000 . 1 . . . . A 534 LYS C . 36418 1 181 . 1 . 1 22 22 LYS CA C 13 60.620 0.029 . 1 . . . . A 534 LYS CA . 36418 1 182 . 1 . 1 22 22 LYS CB C 13 32.720 0.063 . 1 . . . . A 534 LYS CB . 36418 1 183 . 1 . 1 22 22 LYS CG C 13 25.759 0.022 . 1 . . . . A 534 LYS CG . 36418 1 184 . 1 . 1 22 22 LYS CD C 13 29.860 0.050 . 1 . . . . A 534 LYS CD . 36418 1 185 . 1 . 1 22 22 LYS CE C 13 41.543 0.027 . 1 . . . . A 534 LYS CE . 36418 1 186 . 1 . 1 22 22 LYS N N 15 117.498 0.026 . 1 . . . . A 534 LYS N . 36418 1 187 . 1 . 1 23 23 GLN H H 1 8.446 0.006 . 1 . . . . A 535 GLN H . 36418 1 188 . 1 . 1 23 23 GLN HA H 1 3.948 0.008 . 1 . . . . A 535 GLN HA . 36418 1 189 . 1 . 1 23 23 GLN HB2 H 1 2.227 0.003 . . . . . . A 535 GLN HB2 . 36418 1 190 . 1 . 1 23 23 GLN HB3 H 1 2.127 0.002 . . . . . . A 535 GLN HB3 . 36418 1 191 . 1 . 1 23 23 GLN HG2 H 1 2.658 0.007 . . . . . . A 535 GLN HG2 . 36418 1 192 . 1 . 1 23 23 GLN HG3 H 1 2.447 0.006 . . . . . . A 535 GLN HG3 . 36418 1 193 . 1 . 1 23 23 GLN C C 13 179.880 0.000 . 1 . . . . A 535 GLN C . 36418 1 194 . 1 . 1 23 23 GLN CA C 13 58.751 0.047 . 1 . . . . A 535 GLN CA . 36418 1 195 . 1 . 1 23 23 GLN CB C 13 28.534 0.066 . 1 . . . . A 535 GLN CB . 36418 1 196 . 1 . 1 23 23 GLN CG C 13 34.294 0.023 . 1 . . . . A 535 GLN CG . 36418 1 197 . 1 . 1 23 23 GLN N N 15 118.104 0.027 . 1 . . . . A 535 GLN N . 36418 1 198 . 1 . 1 24 24 GLY H H 1 9.150 0.004 . 1 . . . . A 536 GLY H . 36418 1 199 . 1 . 1 24 24 GLY HA2 H 1 3.923 0.005 . . . . . . A 536 GLY HA2 . 36418 1 200 . 1 . 1 24 24 GLY HA3 H 1 3.923 0.005 . . . . . . A 536 GLY HA3 . 36418 1 201 . 1 . 1 24 24 GLY C C 13 174.438 0.000 . 1 . . . . A 536 GLY C . 36418 1 202 . 1 . 1 24 24 GLY CA C 13 48.282 0.073 . 1 . . . . A 536 GLY CA . 36418 1 203 . 1 . 1 24 24 GLY N N 15 109.573 0.024 . 1 . . . . A 536 GLY N . 36418 1 204 . 1 . 1 25 25 VAL H H 1 8.469 0.003 . 1 . . . . A 537 VAL H . 36418 1 205 . 1 . 1 25 25 VAL HA H 1 3.122 0.007 . 1 . . . . A 537 VAL HA . 36418 1 206 . 1 . 1 25 25 VAL HB H 1 1.532 0.007 . 1 . . . . A 537 VAL HB . 36418 1 207 . 1 . 1 25 25 VAL HG11 H 1 0.310 0.005 . . . . . . A 537 VAL HG11 . 36418 1 208 . 1 . 1 25 25 VAL HG12 H 1 0.310 0.005 . . . . . . A 537 VAL HG12 . 36418 1 209 . 1 . 1 25 25 VAL HG13 H 1 0.310 0.005 . . . . . . A 537 VAL HG13 . 36418 1 210 . 1 . 1 25 25 VAL HG21 H 1 -0.179 0.005 . . . . . . A 537 VAL HG21 . 36418 1 211 . 1 . 1 25 25 VAL HG22 H 1 -0.179 0.005 . . . . . . A 537 VAL HG22 . 36418 1 212 . 1 . 1 25 25 VAL HG23 H 1 -0.179 0.005 . . . . . . A 537 VAL HG23 . 36418 1 213 . 1 . 1 25 25 VAL C C 13 179.578 0.000 . 1 . . . . A 537 VAL C . 36418 1 214 . 1 . 1 25 25 VAL CA C 13 66.943 0.017 . 1 . . . . A 537 VAL CA . 36418 1 215 . 1 . 1 25 25 VAL CB C 13 31.015 0.086 . 1 . . . . A 537 VAL CB . 36418 1 216 . 1 . 1 25 25 VAL CG1 C 13 21.155 0.026 . . . . . . A 537 VAL CG1 . 36418 1 217 . 1 . 1 25 25 VAL CG2 C 13 22.748 0.025 . . . . . . A 537 VAL CG2 . 36418 1 218 . 1 . 1 25 25 VAL N N 15 124.463 0.018 . 1 . . . . A 537 VAL N . 36418 1 219 . 1 . 1 26 26 VAL H H 1 7.856 0.003 . 1 . . . . A 538 VAL H . 36418 1 220 . 1 . 1 26 26 VAL HA H 1 3.487 0.006 . 1 . . . . A 538 VAL HA . 36418 1 221 . 1 . 1 26 26 VAL HB H 1 2.094 0.004 . 1 . . . . A 538 VAL HB . 36418 1 222 . 1 . 1 26 26 VAL HG11 H 1 1.045 0.007 . . . . . . A 538 VAL HG11 . 36418 1 223 . 1 . 1 26 26 VAL HG12 H 1 1.045 0.007 . . . . . . A 538 VAL HG12 . 36418 1 224 . 1 . 1 26 26 VAL HG13 H 1 1.045 0.007 . . . . . . A 538 VAL HG13 . 36418 1 225 . 1 . 1 26 26 VAL HG21 H 1 0.850 0.007 . . . . . . A 538 VAL HG21 . 36418 1 226 . 1 . 1 26 26 VAL HG22 H 1 0.850 0.007 . . . . . . A 538 VAL HG22 . 36418 1 227 . 1 . 1 26 26 VAL HG23 H 1 0.850 0.007 . . . . . . A 538 VAL HG23 . 36418 1 228 . 1 . 1 26 26 VAL C C 13 177.649 0.000 . 1 . . . . A 538 VAL C . 36418 1 229 . 1 . 1 26 26 VAL CA C 13 66.749 0.030 . 1 . . . . A 538 VAL CA . 36418 1 230 . 1 . 1 26 26 VAL CB C 13 31.608 0.093 . 1 . . . . A 538 VAL CB . 36418 1 231 . 1 . 1 26 26 VAL CG1 C 13 23.051 0.017 . . . . . . A 538 VAL CG1 . 36418 1 232 . 1 . 1 26 26 VAL CG2 C 13 21.076 0.045 . . . . . . A 538 VAL CG2 . 36418 1 233 . 1 . 1 26 26 VAL N N 15 121.293 0.026 . 1 . . . . A 538 VAL N . 36418 1 234 . 1 . 1 27 27 ARG H H 1 7.760 0.008 . 1 . . . . A 539 ARG H . 36418 1 235 . 1 . 1 27 27 ARG HA H 1 3.794 0.007 . 1 . . . . A 539 ARG HA . 36418 1 236 . 1 . 1 27 27 ARG HB2 H 1 1.058 0.004 . . . . . . A 539 ARG HB2 . 36418 1 237 . 1 . 1 27 27 ARG HB3 H 1 1.478 0.006 . . . . . . A 539 ARG HB3 . 36418 1 238 . 1 . 1 27 27 ARG HG2 H 1 0.791 0.005 . . . . . . A 539 ARG HG2 . 36418 1 239 . 1 . 1 27 27 ARG HG3 H 1 1.145 0.006 . . . . . . A 539 ARG HG3 . 36418 1 240 . 1 . 1 27 27 ARG HD2 H 1 2.820 0.002 . . . . . . A 539 ARG HD2 . 36418 1 241 . 1 . 1 27 27 ARG HD3 H 1 2.723 0.001 . . . . . . A 539 ARG HD3 . 36418 1 242 . 1 . 1 27 27 ARG C C 13 177.830 0.000 . 1 . . . . A 539 ARG C . 36418 1 243 . 1 . 1 27 27 ARG CA C 13 58.899 0.041 . 1 . . . . A 539 ARG CA . 36418 1 244 . 1 . 1 27 27 ARG CB C 13 31.186 0.036 . 1 . . . . A 539 ARG CB . 36418 1 245 . 1 . 1 27 27 ARG CG C 13 26.345 0.033 . 1 . . . . A 539 ARG CG . 36418 1 246 . 1 . 1 27 27 ARG CD C 13 43.522 0.012 . 1 . . . . A 539 ARG CD . 36418 1 247 . 1 . 1 27 27 ARG N N 15 117.417 0.027 . 1 . . . . A 539 ARG N . 36418 1 248 . 1 . 1 28 28 TYR H H 1 8.493 0.003 . 1 . . . . A 540 TYR H . 36418 1 249 . 1 . 1 28 28 TYR HA H 1 4.515 0.005 . 1 . . . . A 540 TYR HA . 36418 1 250 . 1 . 1 28 28 TYR HB2 H 1 2.553 0.009 . . . . . . A 540 TYR HB2 . 36418 1 251 . 1 . 1 28 28 TYR HB3 H 1 2.886 0.008 . . . . . . A 540 TYR HB3 . 36418 1 252 . 1 . 1 28 28 TYR C C 13 176.121 0.000 . 1 . . . . A 540 TYR C . 36418 1 253 . 1 . 1 28 28 TYR CA C 13 58.269 0.036 . 1 . . . . A 540 TYR CA . 36418 1 254 . 1 . 1 28 28 TYR CB C 13 39.593 0.108 . 1 . . . . A 540 TYR CB . 36418 1 255 . 1 . 1 28 28 TYR N N 15 114.072 0.033 . 1 . . . . A 540 TYR N . 36418 1 256 . 1 . 1 29 29 GLY H H 1 7.801 0.004 . 1 . . . . A 541 GLY H . 36418 1 257 . 1 . 1 29 29 GLY HA2 H 1 4.226 0.006 . . . . . . A 541 GLY HA2 . 36418 1 258 . 1 . 1 29 29 GLY HA3 H 1 3.705 0.011 . . . . . . A 541 GLY HA3 . 36418 1 259 . 1 . 1 29 29 GLY C C 13 173.106 0.000 . 1 . . . . A 541 GLY C . 36418 1 260 . 1 . 1 29 29 GLY CA C 13 43.791 0.038 . 1 . . . . A 541 GLY CA . 36418 1 261 . 1 . 1 29 29 GLY N N 15 109.201 0.029 . 1 . . . . A 541 GLY N . 36418 1 262 . 1 . 1 30 30 VAL H H 1 7.995 0.003 . 1 . . . . A 542 VAL H . 36418 1 263 . 1 . 1 30 30 VAL HA H 1 2.796 0.008 . 1 . . . . A 542 VAL HA . 36418 1 264 . 1 . 1 30 30 VAL HB H 1 1.909 0.008 . 1 . . . . A 542 VAL HB . 36418 1 265 . 1 . 1 30 30 VAL HG11 H 1 0.853 0.005 . . . . . . A 542 VAL HG11 . 36418 1 266 . 1 . 1 30 30 VAL HG12 H 1 0.853 0.005 . . . . . . A 542 VAL HG12 . 36418 1 267 . 1 . 1 30 30 VAL HG13 H 1 0.853 0.005 . . . . . . A 542 VAL HG13 . 36418 1 268 . 1 . 1 30 30 VAL CA C 13 63.431 0.023 . 1 . . . . A 542 VAL CA . 36418 1 269 . 1 . 1 30 30 VAL CB C 13 31.862 0.111 . 1 . . . . A 542 VAL CB . 36418 1 270 . 1 . 1 30 30 VAL CG1 C 13 21.424 0.011 . . . . . . A 542 VAL CG1 . 36418 1 271 . 1 . 1 30 30 VAL N N 15 117.319 0.031 . 1 . . . . A 542 VAL N . 36418 1 272 . 1 . 1 31 31 GLY HA2 H 1 3.235 0.009 . . . . . . A 543 GLY HA2 . 36418 1 273 . 1 . 1 31 31 GLY HA3 H 1 3.961 0.002 . . . . . . A 543 GLY HA3 . 36418 1 274 . 1 . 1 31 31 GLY C C 13 173.829 0.000 . 1 . . . . A 543 GLY C . 36418 1 275 . 1 . 1 31 31 GLY CA C 13 44.643 0.065 . 1 . . . . A 543 GLY CA . 36418 1 276 . 1 . 1 32 32 HIS H H 1 6.859 0.006 . 1 . . . . A 544 HIS H . 36418 1 277 . 1 . 1 32 32 HIS HA H 1 4.651 0.009 . 1 . . . . A 544 HIS HA . 36418 1 278 . 1 . 1 32 32 HIS HB2 H 1 2.374 0.006 . . . . . . A 544 HIS HB2 . 36418 1 279 . 1 . 1 32 32 HIS HB3 H 1 2.844 0.005 . . . . . . A 544 HIS HB3 . 36418 1 280 . 1 . 1 32 32 HIS C C 13 176.015 0.000 . 1 . . . . A 544 HIS C . 36418 1 281 . 1 . 1 32 32 HIS CA C 13 54.758 0.041 . 1 . . . . A 544 HIS CA . 36418 1 282 . 1 . 1 32 32 HIS CB C 13 28.430 0.091 . 1 . . . . A 544 HIS CB . 36418 1 283 . 1 . 1 32 32 HIS N N 15 122.420 0.023 . 1 . . . . A 544 HIS N . 36418 1 284 . 1 . 1 33 33 TRP H H 1 6.542 0.003 . 1 . . . . A 545 TRP H . 36418 1 285 . 1 . 1 33 33 TRP HA H 1 4.202 0.005 . 1 . . . . A 545 TRP HA . 36418 1 286 . 1 . 1 33 33 TRP HB2 H 1 3.564 0.007 . . . . . . A 545 TRP HB2 . 36418 1 287 . 1 . 1 33 33 TRP HB3 H 1 3.052 0.006 . . . . . . A 545 TRP HB3 . 36418 1 288 . 1 . 1 33 33 TRP C C 13 178.033 0.000 . 1 . . . . A 545 TRP C . 36418 1 289 . 1 . 1 33 33 TRP CA C 13 58.904 0.028 . 1 . . . . A 545 TRP CA . 36418 1 290 . 1 . 1 33 33 TRP CB C 13 30.317 0.055 . 1 . . . . A 545 TRP CB . 36418 1 291 . 1 . 1 33 33 TRP N N 15 118.463 0.028 . 1 . . . . A 545 TRP N . 36418 1 292 . 1 . 1 34 34 GLU H H 1 8.639 0.003 . 1 . . . . A 546 GLU H . 36418 1 293 . 1 . 1 34 34 GLU HA H 1 4.307 0.012 . 1 . . . . A 546 GLU HA . 36418 1 294 . 1 . 1 34 34 GLU HB2 H 1 1.917 0.014 . . . . . . A 546 GLU HB2 . 36418 1 295 . 1 . 1 34 34 GLU HB3 H 1 1.993 0.002 . . . . . . A 546 GLU HB3 . 36418 1 296 . 1 . 1 34 34 GLU HG2 H 1 2.307 0.006 . . . . . . A 546 GLU HG2 . 36418 1 297 . 1 . 1 34 34 GLU HG3 H 1 2.232 0.006 . . . . . . A 546 GLU HG3 . 36418 1 298 . 1 . 1 34 34 GLU C C 13 178.719 0.000 . 1 . . . . A 546 GLU C . 36418 1 299 . 1 . 1 34 34 GLU CA C 13 58.805 0.056 . 1 . . . . A 546 GLU CA . 36418 1 300 . 1 . 1 34 34 GLU CB C 13 28.390 0.065 . 1 . . . . A 546 GLU CB . 36418 1 301 . 1 . 1 34 34 GLU CG C 13 35.030 0.001 . 1 . . . . A 546 GLU CG . 36418 1 302 . 1 . 1 34 34 GLU N N 15 118.233 0.027 . 1 . . . . A 546 GLU N . 36418 1 303 . 1 . 1 35 35 ARG H H 1 7.655 0.006 . 1 . . . . A 547 ARG H . 36418 1 304 . 1 . 1 35 35 ARG HA H 1 3.817 0.005 . 1 . . . . A 547 ARG HA . 36418 1 305 . 1 . 1 35 35 ARG HB2 H 1 1.473 0.007 . . . . . . A 547 ARG HB2 . 36418 1 306 . 1 . 1 35 35 ARG HB3 H 1 1.202 0.009 . . . . . . A 547 ARG HB3 . 36418 1 307 . 1 . 1 35 35 ARG HG2 H 1 1.038 0.008 . . . . . . A 547 ARG HG2 . 36418 1 308 . 1 . 1 35 35 ARG HG3 H 1 1.038 0.008 . . . . . . A 547 ARG HG3 . 36418 1 309 . 1 . 1 35 35 ARG HD2 H 1 2.745 0.008 . . . . . . A 547 ARG HD2 . 36418 1 310 . 1 . 1 35 35 ARG HD3 H 1 2.675 0.014 . . . . . . A 547 ARG HD3 . 36418 1 311 . 1 . 1 35 35 ARG C C 13 179.081 0.000 . 1 . . . . A 547 ARG C . 36418 1 312 . 1 . 1 35 35 ARG CA C 13 58.506 0.054 . 1 . . . . A 547 ARG CA . 36418 1 313 . 1 . 1 35 35 ARG CB C 13 29.269 0.052 . 1 . . . . A 547 ARG CB . 36418 1 314 . 1 . 1 35 35 ARG CG C 13 26.440 0.044 . 1 . . . . A 547 ARG CG . 36418 1 315 . 1 . 1 35 35 ARG CD C 13 43.049 0.027 . 1 . . . . A 547 ARG CD . 36418 1 316 . 1 . 1 35 35 ARG N N 15 120.627 0.046 . 1 . . . . A 547 ARG N . 36418 1 317 . 1 . 1 36 36 ILE H H 1 7.689 0.005 . 1 . . . . A 548 ILE H . 36418 1 318 . 1 . 1 36 36 ILE HA H 1 3.611 0.007 . 1 . . . . A 548 ILE HA . 36418 1 319 . 1 . 1 36 36 ILE HB H 1 1.917 0.013 . 1 . . . . A 548 ILE HB . 36418 1 320 . 1 . 1 36 36 ILE HG12 H 1 0.836 0.010 . . . . . . A 548 ILE HG12 . 36418 1 321 . 1 . 1 36 36 ILE HG13 H 1 0.836 0.010 . . . . . . A 548 ILE HG13 . 36418 1 322 . 1 . 1 36 36 ILE HG21 H 1 1.326 0.008 . 1 . . . . A 548 ILE HG21 . 36418 1 323 . 1 . 1 36 36 ILE HG22 H 1 1.326 0.008 . 1 . . . . A 548 ILE HG22 . 36418 1 324 . 1 . 1 36 36 ILE HG23 H 1 1.326 0.008 . 1 . . . . A 548 ILE HG23 . 36418 1 325 . 1 . 1 36 36 ILE HD11 H 1 0.585 0.005 . 1 . . . . A 548 ILE HD11 . 36418 1 326 . 1 . 1 36 36 ILE HD12 H 1 0.585 0.005 . 1 . . . . A 548 ILE HD12 . 36418 1 327 . 1 . 1 36 36 ILE HD13 H 1 0.585 0.005 . 1 . . . . A 548 ILE HD13 . 36418 1 328 . 1 . 1 36 36 ILE C C 13 177.287 0.000 . 1 . . . . A 548 ILE C . 36418 1 329 . 1 . 1 36 36 ILE CA C 13 66.682 0.036 . 1 . . . . A 548 ILE CA . 36418 1 330 . 1 . 1 36 36 ILE CB C 13 38.546 0.061 . 1 . . . . A 548 ILE CB . 36418 1 331 . 1 . 1 36 36 ILE CG1 C 13 31.107 0.023 . 1 . . . . A 548 ILE CG1 . 36418 1 332 . 1 . 1 36 36 ILE CG2 C 13 18.534 0.027 . 1 . . . . A 548 ILE CG2 . 36418 1 333 . 1 . 1 36 36 ILE CD1 C 13 14.134 0.021 . 1 . . . . A 548 ILE CD1 . 36418 1 334 . 1 . 1 36 36 ILE N N 15 118.334 0.033 . 1 . . . . A 548 ILE N . 36418 1 335 . 1 . 1 37 37 ARG H H 1 8.323 0.003 . 1 . . . . A 549 ARG H . 36418 1 336 . 1 . 1 37 37 ARG HA H 1 4.093 0.006 . 1 . . . . A 549 ARG HA . 36418 1 337 . 1 . 1 37 37 ARG HB2 H 1 2.124 0.006 . . . . . . A 549 ARG HB2 . 36418 1 338 . 1 . 1 37 37 ARG HB3 H 1 1.764 0.014 . . . . . . A 549 ARG HB3 . 36418 1 339 . 1 . 1 37 37 ARG HG2 H 1 1.444 0.004 . . . . . . A 549 ARG HG2 . 36418 1 340 . 1 . 1 37 37 ARG HG3 H 1 1.444 0.004 . . . . . . A 549 ARG HG3 . 36418 1 341 . 1 . 1 37 37 ARG HD2 H 1 3.366 0.005 . . . . . . A 549 ARG HD2 . 36418 1 342 . 1 . 1 37 37 ARG HD3 H 1 2.962 0.009 . . . . . . A 549 ARG HD3 . 36418 1 343 . 1 . 1 37 37 ARG C C 13 176.913 0.000 . 1 . . . . A 549 ARG C . 36418 1 344 . 1 . 1 37 37 ARG CA C 13 59.468 0.022 . 1 . . . . A 549 ARG CA . 36418 1 345 . 1 . 1 37 37 ARG CB C 13 30.168 0.078 . 1 . . . . A 549 ARG CB . 36418 1 346 . 1 . 1 37 37 ARG CG C 13 27.098 0.066 . 1 . . . . A 549 ARG CG . 36418 1 347 . 1 . 1 37 37 ARG CD C 13 43.297 0.023 . 1 . . . . A 549 ARG CD . 36418 1 348 . 1 . 1 37 37 ARG N N 15 118.820 0.028 . 1 . . . . A 549 ARG N . 36418 1 349 . 1 . 1 38 38 SER H H 1 7.543 0.003 . 1 . . . . A 550 SER H . 36418 1 350 . 1 . 1 38 38 SER HA H 1 4.367 0.005 . 1 . . . . A 550 SER HA . 36418 1 351 . 1 . 1 38 38 SER HB2 H 1 3.870 0.007 . . . . . . A 550 SER HB2 . 36418 1 352 . 1 . 1 38 38 SER HB3 H 1 3.870 0.007 . . . . . . A 550 SER HB3 . 36418 1 353 . 1 . 1 38 38 SER C C 13 174.890 0.000 . 1 . . . . A 550 SER C . 36418 1 354 . 1 . 1 38 38 SER CA C 13 59.665 0.082 . 1 . . . . A 550 SER CA . 36418 1 355 . 1 . 1 38 38 SER CB C 13 63.958 0.067 . 1 . . . . A 550 SER CB . 36418 1 356 . 1 . 1 38 38 SER N N 15 107.916 0.026 . 1 . . . . A 550 SER N . 36418 1 357 . 1 . 1 39 39 ALA H H 1 7.733 0.002 . 1 . . . . A 551 ALA H . 36418 1 358 . 1 . 1 39 39 ALA HA H 1 4.082 0.006 . 1 . . . . A 551 ALA HA . 36418 1 359 . 1 . 1 39 39 ALA HB1 H 1 1.269 0.004 . 1 . . . . A 551 ALA HB1 . 36418 1 360 . 1 . 1 39 39 ALA HB2 H 1 1.269 0.004 . 1 . . . . A 551 ALA HB2 . 36418 1 361 . 1 . 1 39 39 ALA HB3 H 1 1.269 0.004 . 1 . . . . A 551 ALA HB3 . 36418 1 362 . 1 . 1 39 39 ALA C C 13 175.805 0.000 . 1 . . . . A 551 ALA C . 36418 1 363 . 1 . 1 39 39 ALA CA C 13 52.895 0.010 . 1 . . . . A 551 ALA CA . 36418 1 364 . 1 . 1 39 39 ALA CB C 13 20.964 0.052 . 1 . . . . A 551 ALA CB . 36418 1 365 . 1 . 1 39 39 ALA N N 15 123.461 0.027 . 1 . . . . A 551 ALA N . 36418 1 366 . 1 . 1 40 40 PHE H H 1 7.319 0.004 . 1 . . . . A 552 PHE H . 36418 1 367 . 1 . 1 40 40 PHE HA H 1 4.342 0.007 . 1 . . . . A 552 PHE HA . 36418 1 368 . 1 . 1 40 40 PHE HB2 H 1 2.154 0.004 . . . . . . A 552 PHE HB2 . 36418 1 369 . 1 . 1 40 40 PHE HB3 H 1 1.499 0.008 . . . . . . A 552 PHE HB3 . 36418 1 370 . 1 . 1 40 40 PHE CA C 13 54.488 0.019 . 1 . . . . A 552 PHE CA . 36418 1 371 . 1 . 1 40 40 PHE CB C 13 40.362 0.051 . 1 . . . . A 552 PHE CB . 36418 1 372 . 1 . 1 40 40 PHE N N 15 115.395 0.028 . 1 . . . . A 552 PHE N . 36418 1 373 . 1 . 1 41 41 PRO HA H 1 4.552 0.007 . 1 . . . . A 553 PRO HA . 36418 1 374 . 1 . 1 41 41 PRO HB2 H 1 2.039 0.008 . . . . . . A 553 PRO HB2 . 36418 1 375 . 1 . 1 41 41 PRO HB3 H 1 1.671 0.005 . . . . . . A 553 PRO HB3 . 36418 1 376 . 1 . 1 41 41 PRO HG2 H 1 1.444 0.007 . . . . . . A 553 PRO HG2 . 36418 1 377 . 1 . 1 41 41 PRO HG3 H 1 1.373 0.007 . . . . . . A 553 PRO HG3 . 36418 1 378 . 1 . 1 41 41 PRO HD2 H 1 2.945 0.006 . . . . . . A 553 PRO HD2 . 36418 1 379 . 1 . 1 41 41 PRO HD3 H 1 1.163 0.006 . . . . . . A 553 PRO HD3 . 36418 1 380 . 1 . 1 41 41 PRO C C 13 176.084 0.000 . 1 . . . . A 553 PRO C . 36418 1 381 . 1 . 1 41 41 PRO CA C 13 62.110 0.037 . 1 . . . . A 553 PRO CA . 36418 1 382 . 1 . 1 41 41 PRO CB C 13 27.317 0.049 . 1 . . . . A 553 PRO CB . 36418 1 383 . 1 . 1 41 41 PRO CG C 13 26.820 0.009 . 1 . . . . A 553 PRO CG . 36418 1 384 . 1 . 1 41 41 PRO CD C 13 49.122 0.024 . 1 . . . . A 553 PRO CD . 36418 1 385 . 1 . 1 42 42 PHE H H 1 8.420 0.002 . 1 . . . . A 554 PHE H . 36418 1 386 . 1 . 1 42 42 PHE HA H 1 4.672 0.005 . 1 . . . . A 554 PHE HA . 36418 1 387 . 1 . 1 42 42 PHE HB2 H 1 3.134 0.002 . . . . . . A 554 PHE HB2 . 36418 1 388 . 1 . 1 42 42 PHE HB3 H 1 3.040 0.003 . . . . . . A 554 PHE HB3 . 36418 1 389 . 1 . 1 42 42 PHE C C 13 176.263 0.000 . 1 . . . . A 554 PHE C . 36418 1 390 . 1 . 1 42 42 PHE CA C 13 59.844 0.020 . 1 . . . . A 554 PHE CA . 36418 1 391 . 1 . 1 42 42 PHE CB C 13 39.881 0.089 . 1 . . . . A 554 PHE CB . 36418 1 392 . 1 . 1 42 42 PHE N N 15 123.093 0.024 . 1 . . . . A 554 PHE N . 36418 1 393 . 1 . 1 43 43 ALA H H 1 8.989 0.004 . 1 . . . . A 555 ALA H . 36418 1 394 . 1 . 1 43 43 ALA HA H 1 4.437 0.009 . 1 . . . . A 555 ALA HA . 36418 1 395 . 1 . 1 43 43 ALA HB1 H 1 1.294 0.005 . 1 . . . . A 555 ALA HB1 . 36418 1 396 . 1 . 1 43 43 ALA HB2 H 1 1.294 0.005 . 1 . . . . A 555 ALA HB2 . 36418 1 397 . 1 . 1 43 43 ALA HB3 H 1 1.294 0.005 . 1 . . . . A 555 ALA HB3 . 36418 1 398 . 1 . 1 43 43 ALA CA C 13 52.022 0.051 . 1 . . . . A 555 ALA CA . 36418 1 399 . 1 . 1 43 43 ALA CB C 13 18.657 0.031 . 1 . . . . A 555 ALA CB . 36418 1 400 . 1 . 1 43 43 ALA N N 15 126.237 0.039 . 1 . . . . A 555 ALA N . 36418 1 401 . 1 . 1 44 44 GLY HA2 H 1 3.836 0.008 . . . . . . A 556 GLY HA2 . 36418 1 402 . 1 . 1 44 44 GLY HA3 H 1 3.729 0.010 . . . . . . A 556 GLY HA3 . 36418 1 403 . 1 . 1 44 44 GLY C C 13 174.293 0.000 . 1 . . . . A 556 GLY C . 36418 1 404 . 1 . 1 44 44 GLY CA C 13 46.359 0.032 . 1 . . . . A 556 GLY CA . 36418 1 405 . 1 . 1 45 45 ARG H H 1 7.398 0.005 . 1 . . . . A 557 ARG H . 36418 1 406 . 1 . 1 45 45 ARG HA H 1 4.833 0.009 . 1 . . . . A 557 ARG HA . 36418 1 407 . 1 . 1 45 45 ARG HB2 H 1 1.614 0.007 . . . . . . A 557 ARG HB2 . 36418 1 408 . 1 . 1 45 45 ARG HB3 H 1 1.614 0.007 . . . . . . A 557 ARG HB3 . 36418 1 409 . 1 . 1 45 45 ARG HG2 H 1 1.309 0.001 . . . . . . A 557 ARG HG2 . 36418 1 410 . 1 . 1 45 45 ARG HG3 H 1 1.309 0.001 . . . . . . A 557 ARG HG3 . 36418 1 411 . 1 . 1 45 45 ARG HD2 H 1 2.843 0.007 . . . . . . A 557 ARG HD2 . 36418 1 412 . 1 . 1 45 45 ARG HD3 H 1 2.347 0.008 . . . . . . A 557 ARG HD3 . 36418 1 413 . 1 . 1 45 45 ARG C C 13 176.375 0.000 . 1 . . . . A 557 ARG C . 36418 1 414 . 1 . 1 45 45 ARG CA C 13 52.497 0.026 . 1 . . . . A 557 ARG CA . 36418 1 415 . 1 . 1 45 45 ARG CB C 13 31.832 0.059 . 1 . . . . A 557 ARG CB . 36418 1 416 . 1 . 1 45 45 ARG CD C 13 42.611 0.018 . 1 . . . . A 557 ARG CD . 36418 1 417 . 1 . 1 45 45 ARG N N 15 114.768 0.041 . 1 . . . . A 557 ARG N . 36418 1 418 . 1 . 1 46 46 THR H H 1 8.563 0.003 . 1 . . . . A 558 THR H . 36418 1 419 . 1 . 1 46 46 THR HA H 1 4.365 0.005 . 1 . . . . A 558 THR HA . 36418 1 420 . 1 . 1 46 46 THR HB H 1 4.612 0.009 . 1 . . . . A 558 THR HB . 36418 1 421 . 1 . 1 46 46 THR HG21 H 1 1.206 0.006 . 1 . . . . A 558 THR HG21 . 36418 1 422 . 1 . 1 46 46 THR HG22 H 1 1.206 0.006 . 1 . . . . A 558 THR HG22 . 36418 1 423 . 1 . 1 46 46 THR HG23 H 1 1.206 0.006 . 1 . . . . A 558 THR HG23 . 36418 1 424 . 1 . 1 46 46 THR C C 13 175.072 0.000 . 1 . . . . A 558 THR C . 36418 1 425 . 1 . 1 46 46 THR CA C 13 59.999 0.043 . 1 . . . . A 558 THR CA . 36418 1 426 . 1 . 1 46 46 THR CB C 13 71.240 0.039 . 1 . . . . A 558 THR CB . 36418 1 427 . 1 . 1 46 46 THR CG2 C 13 21.627 0.030 . 1 . . . . A 558 THR CG2 . 36418 1 428 . 1 . 1 46 46 THR N N 15 113.219 0.024 . 1 . . . . A 558 THR N . 36418 1 429 . 1 . 1 47 47 ALA H H 1 9.289 0.002 . 1 . . . . A 559 ALA H . 36418 1 430 . 1 . 1 47 47 ALA HA H 1 3.839 0.004 . 1 . . . . A 559 ALA HA . 36418 1 431 . 1 . 1 47 47 ALA HB1 H 1 1.466 0.003 . 1 . . . . A 559 ALA HB1 . 36418 1 432 . 1 . 1 47 47 ALA HB2 H 1 1.466 0.003 . 1 . . . . A 559 ALA HB2 . 36418 1 433 . 1 . 1 47 47 ALA HB3 H 1 1.466 0.003 . 1 . . . . A 559 ALA HB3 . 36418 1 434 . 1 . 1 47 47 ALA C C 13 179.345 0.000 . 1 . . . . A 559 ALA C . 36418 1 435 . 1 . 1 47 47 ALA CA C 13 56.219 0.032 . 1 . . . . A 559 ALA CA . 36418 1 436 . 1 . 1 47 47 ALA CB C 13 17.698 0.063 . 1 . . . . A 559 ALA CB . 36418 1 437 . 1 . 1 47 47 ALA N N 15 122.690 0.019 . 1 . . . . A 559 ALA N . 36418 1 438 . 1 . 1 48 48 VAL H H 1 7.693 0.005 . 1 . . . . A 560 VAL H . 36418 1 439 . 1 . 1 48 48 VAL HA H 1 3.444 0.004 . 1 . . . . A 560 VAL HA . 36418 1 440 . 1 . 1 48 48 VAL HB H 1 1.839 0.005 . 1 . . . . A 560 VAL HB . 36418 1 441 . 1 . 1 48 48 VAL HG11 H 1 0.835 0.005 . . . . . . A 560 VAL HG11 . 36418 1 442 . 1 . 1 48 48 VAL HG12 H 1 0.835 0.005 . . . . . . A 560 VAL HG12 . 36418 1 443 . 1 . 1 48 48 VAL HG13 H 1 0.835 0.005 . . . . . . A 560 VAL HG13 . 36418 1 444 . 1 . 1 48 48 VAL HG21 H 1 0.951 0.003 . . . . . . A 560 VAL HG21 . 36418 1 445 . 1 . 1 48 48 VAL HG22 H 1 0.951 0.003 . . . . . . A 560 VAL HG22 . 36418 1 446 . 1 . 1 48 48 VAL HG23 H 1 0.951 0.003 . . . . . . A 560 VAL HG23 . 36418 1 447 . 1 . 1 48 48 VAL C C 13 176.911 0.000 . 1 . . . . A 560 VAL C . 36418 1 448 . 1 . 1 48 48 VAL CA C 13 65.797 0.042 . 1 . . . . A 560 VAL CA . 36418 1 449 . 1 . 1 48 48 VAL CB C 13 31.634 0.062 . 1 . . . . A 560 VAL CB . 36418 1 450 . 1 . 1 48 48 VAL CG1 C 13 21.149 0.059 . . . . . . A 560 VAL CG1 . 36418 1 451 . 1 . 1 48 48 VAL CG2 C 13 22.793 0.012 . . . . . . A 560 VAL CG2 . 36418 1 452 . 1 . 1 48 48 VAL N N 15 116.161 0.025 . 1 . . . . A 560 VAL N . 36418 1 453 . 1 . 1 49 49 ASN H H 1 7.668 0.007 . 1 . . . . A 561 ASN H . 36418 1 454 . 1 . 1 49 49 ASN HA H 1 4.544 0.004 . 1 . . . . A 561 ASN HA . 36418 1 455 . 1 . 1 49 49 ASN HB2 H 1 3.268 0.005 . . . . . . A 561 ASN HB2 . 36418 1 456 . 1 . 1 49 49 ASN HB3 H 1 3.063 0.009 . . . . . . A 561 ASN HB3 . 36418 1 457 . 1 . 1 49 49 ASN C C 13 178.334 0.000 . 1 . . . . A 561 ASN C . 36418 1 458 . 1 . 1 49 49 ASN CA C 13 56.085 0.062 . 1 . . . . A 561 ASN CA . 36418 1 459 . 1 . 1 49 49 ASN CB C 13 39.685 0.034 . 1 . . . . A 561 ASN CB . 36418 1 460 . 1 . 1 49 49 ASN N N 15 117.895 0.044 . 1 . . . . A 561 ASN N . 36418 1 461 . 1 . 1 50 50 LEU H H 1 7.666 0.003 . 1 . . . . A 562 LEU H . 36418 1 462 . 1 . 1 50 50 LEU HA H 1 3.774 0.010 . 1 . . . . A 562 LEU HA . 36418 1 463 . 1 . 1 50 50 LEU HB2 H 1 1.974 0.009 . . . . . . A 562 LEU HB2 . 36418 1 464 . 1 . 1 50 50 LEU HB3 H 1 1.475 0.006 . . . . . . A 562 LEU HB3 . 36418 1 465 . 1 . 1 50 50 LEU HG H 1 1.695 0.011 . 1 . . . . A 562 LEU HG . 36418 1 466 . 1 . 1 50 50 LEU HD11 H 1 0.419 0.008 . . . . . . A 562 LEU HD11 . 36418 1 467 . 1 . 1 50 50 LEU HD12 H 1 0.419 0.008 . . . . . . A 562 LEU HD12 . 36418 1 468 . 1 . 1 50 50 LEU HD13 H 1 0.419 0.008 . . . . . . A 562 LEU HD13 . 36418 1 469 . 1 . 1 50 50 LEU HD21 H 1 0.590 0.007 . . . . . . A 562 LEU HD21 . 36418 1 470 . 1 . 1 50 50 LEU HD22 H 1 0.590 0.007 . . . . . . A 562 LEU HD22 . 36418 1 471 . 1 . 1 50 50 LEU HD23 H 1 0.590 0.007 . . . . . . A 562 LEU HD23 . 36418 1 472 . 1 . 1 50 50 LEU C C 13 176.089 0.000 . 1 . . . . A 562 LEU C . 36418 1 473 . 1 . 1 50 50 LEU CA C 13 58.953 0.086 . 1 . . . . A 562 LEU CA . 36418 1 474 . 1 . 1 50 50 LEU CB C 13 41.169 0.038 . 1 . . . . A 562 LEU CB . 36418 1 475 . 1 . 1 50 50 LEU CG C 13 28.643 0.023 . 1 . . . . A 562 LEU CG . 36418 1 476 . 1 . 1 50 50 LEU CD1 C 13 24.426 0.026 . . . . . . A 562 LEU CD1 . 36418 1 477 . 1 . 1 50 50 LEU CD2 C 13 25.260 0.051 . . . . . . A 562 LEU CD2 . 36418 1 478 . 1 . 1 50 50 LEU N N 15 120.221 0.030 . 1 . . . . A 562 LEU N . 36418 1 479 . 1 . 1 51 51 LYS H H 1 7.022 0.005 . 1 . . . . A 563 LYS H . 36418 1 480 . 1 . 1 51 51 LYS HA H 1 1.760 0.006 . 1 . . . . A 563 LYS HA . 36418 1 481 . 1 . 1 51 51 LYS HB2 H 1 1.308 0.011 . . . . . . A 563 LYS HB2 . 36418 1 482 . 1 . 1 51 51 LYS HB3 H 1 0.073 0.008 . . . . . . A 563 LYS HB3 . 36418 1 483 . 1 . 1 51 51 LYS HG2 H 1 1.067 0.006 . . . . . . A 563 LYS HG2 . 36418 1 484 . 1 . 1 51 51 LYS HG3 H 1 0.911 0.006 . . . . . . A 563 LYS HG3 . 36418 1 485 . 1 . 1 51 51 LYS HD2 H 1 1.585 0.006 . . . . . . A 563 LYS HD2 . 36418 1 486 . 1 . 1 51 51 LYS HD3 H 1 1.471 0.004 . . . . . . A 563 LYS HD3 . 36418 1 487 . 1 . 1 51 51 LYS HE2 H 1 2.878 0.006 . . . . . . A 563 LYS HE2 . 36418 1 488 . 1 . 1 51 51 LYS HE3 H 1 2.878 0.006 . . . . . . A 563 LYS HE3 . 36418 1 489 . 1 . 1 51 51 LYS C C 13 178.525 0.000 . 1 . . . . A 563 LYS C . 36418 1 490 . 1 . 1 51 51 LYS CA C 13 58.831 0.031 . 1 . . . . A 563 LYS CA . 36418 1 491 . 1 . 1 51 51 LYS CB C 13 31.004 0.066 . 1 . . . . A 563 LYS CB . 36418 1 492 . 1 . 1 51 51 LYS CG C 13 24.216 0.020 . 1 . . . . A 563 LYS CG . 36418 1 493 . 1 . 1 51 51 LYS CD C 13 29.588 0.097 . 1 . . . . A 563 LYS CD . 36418 1 494 . 1 . 1 51 51 LYS CE C 13 41.650 0.000 . 1 . . . . A 563 LYS CE . 36418 1 495 . 1 . 1 51 51 LYS N N 15 120.661 0.028 . 1 . . . . A 563 LYS N . 36418 1 496 . 1 . 1 52 52 ASP H H 1 8.162 0.003 . 1 . . . . A 564 ASP H . 36418 1 497 . 1 . 1 52 52 ASP HA H 1 4.159 0.005 . 1 . . . . A 564 ASP HA . 36418 1 498 . 1 . 1 52 52 ASP HB2 H 1 2.490 0.008 . . . . . . A 564 ASP HB2 . 36418 1 499 . 1 . 1 52 52 ASP HB3 H 1 2.490 0.008 . . . . . . A 564 ASP HB3 . 36418 1 500 . 1 . 1 52 52 ASP C C 13 178.917 0.000 . 1 . . . . A 564 ASP C . 36418 1 501 . 1 . 1 52 52 ASP CA C 13 56.945 0.055 . 1 . . . . A 564 ASP CA . 36418 1 502 . 1 . 1 52 52 ASP CB C 13 40.045 0.052 . 1 . . . . A 564 ASP CB . 36418 1 503 . 1 . 1 52 52 ASP N N 15 118.442 0.030 . 1 . . . . A 564 ASP N . 36418 1 504 . 1 . 1 53 53 ARG H H 1 7.858 0.003 . 1 . . . . A 565 ARG H . 36418 1 505 . 1 . 1 53 53 ARG HA H 1 3.674 0.007 . 1 . . . . A 565 ARG HA . 36418 1 506 . 1 . 1 53 53 ARG HB2 H 1 1.298 0.006 . . . . . . A 565 ARG HB2 . 36418 1 507 . 1 . 1 53 53 ARG HB3 H 1 0.841 0.008 . . . . . . A 565 ARG HB3 . 36418 1 508 . 1 . 1 53 53 ARG HG2 H 1 0.516 0.010 . . . . . . A 565 ARG HG2 . 36418 1 509 . 1 . 1 53 53 ARG HG3 H 1 0.516 0.010 . . . . . . A 565 ARG HG3 . 36418 1 510 . 1 . 1 53 53 ARG HD2 H 1 2.504 0.008 . . . . . . A 565 ARG HD2 . 36418 1 511 . 1 . 1 53 53 ARG HD3 H 1 2.504 0.008 . . . . . . A 565 ARG HD3 . 36418 1 512 . 1 . 1 53 53 ARG C C 13 177.761 0.000 . 1 . . . . A 565 ARG C . 36418 1 513 . 1 . 1 53 53 ARG CA C 13 56.984 0.030 . 1 . . . . A 565 ARG CA . 36418 1 514 . 1 . 1 53 53 ARG CB C 13 28.686 0.024 . 1 . . . . A 565 ARG CB . 36418 1 515 . 1 . 1 53 53 ARG CG C 13 24.963 0.053 . 1 . . . . A 565 ARG CG . 36418 1 516 . 1 . 1 53 53 ARG CD C 13 42.533 0.026 . 1 . . . . A 565 ARG CD . 36418 1 517 . 1 . 1 53 53 ARG N N 15 121.869 0.030 . 1 . . . . A 565 ARG N . 36418 1 518 . 1 . 1 54 54 TRP H H 1 8.381 0.002 . 1 . . . . A 566 TRP H . 36418 1 519 . 1 . 1 54 54 TRP HA H 1 4.206 0.009 . 1 . . . . A 566 TRP HA . 36418 1 520 . 1 . 1 54 54 TRP HB2 H 1 3.089 0.008 . . . . . . A 566 TRP HB2 . 36418 1 521 . 1 . 1 54 54 TRP HB3 H 1 3.089 0.008 . . . . . . A 566 TRP HB3 . 36418 1 522 . 1 . 1 54 54 TRP HE1 H 1 10.132 0.001 . 1 . . . . A 566 TRP HE1 . 36418 1 523 . 1 . 1 54 54 TRP C C 13 176.665 0.000 . 1 . . . . A 566 TRP C . 36418 1 524 . 1 . 1 54 54 TRP CA C 13 60.123 0.018 . 1 . . . . A 566 TRP CA . 36418 1 525 . 1 . 1 54 54 TRP CB C 13 30.067 0.077 . 1 . . . . A 566 TRP CB . 36418 1 526 . 1 . 1 54 54 TRP N N 15 121.831 0.026 . 1 . . . . A 566 TRP N . 36418 1 527 . 1 . 1 54 54 TRP NE1 N 15 128.986 0.014 . 1 . . . . A 566 TRP NE1 . 36418 1 528 . 1 . 1 55 55 ARG H H 1 7.621 0.005 . 1 . . . . A 567 ARG H . 36418 1 529 . 1 . 1 55 55 ARG HA H 1 3.703 0.008 . 1 . . . . A 567 ARG HA . 36418 1 530 . 1 . 1 55 55 ARG HB2 H 1 1.890 0.004 . . . . . . A 567 ARG HB2 . 36418 1 531 . 1 . 1 55 55 ARG HB3 H 1 1.890 0.004 . . . . . . A 567 ARG HB3 . 36418 1 532 . 1 . 1 55 55 ARG HG2 H 1 1.785 0.003 . . . . . . A 567 ARG HG2 . 36418 1 533 . 1 . 1 55 55 ARG HG3 H 1 1.582 0.005 . . . . . . A 567 ARG HG3 . 36418 1 534 . 1 . 1 55 55 ARG HD2 H 1 3.175 0.005 . . . . . . A 567 ARG HD2 . 36418 1 535 . 1 . 1 55 55 ARG HD3 H 1 3.175 0.005 . . . . . . A 567 ARG HD3 . 36418 1 536 . 1 . 1 55 55 ARG C C 13 179.551 0.000 . 1 . . . . A 567 ARG C . 36418 1 537 . 1 . 1 55 55 ARG CA C 13 59.539 0.024 . 1 . . . . A 567 ARG CA . 36418 1 538 . 1 . 1 55 55 ARG CB C 13 29.442 0.059 . 1 . . . . A 567 ARG CB . 36418 1 539 . 1 . 1 55 55 ARG CG C 13 27.456 0.028 . 1 . . . . A 567 ARG CG . 36418 1 540 . 1 . 1 55 55 ARG CD C 13 43.315 0.049 . 1 . . . . A 567 ARG CD . 36418 1 541 . 1 . 1 55 55 ARG N N 15 115.485 0.023 . 1 . . . . A 567 ARG N . 36418 1 542 . 1 . 1 56 56 THR H H 1 7.622 0.003 . 1 . . . . A 568 THR H . 36418 1 543 . 1 . 1 56 56 THR HA H 1 3.690 0.003 . 1 . . . . A 568 THR HA . 36418 1 544 . 1 . 1 56 56 THR HB H 1 4.062 0.004 . 1 . . . . A 568 THR HB . 36418 1 545 . 1 . 1 56 56 THR HG21 H 1 1.011 0.002 . 1 . . . . A 568 THR HG21 . 36418 1 546 . 1 . 1 56 56 THR HG22 H 1 1.011 0.002 . 1 . . . . A 568 THR HG22 . 36418 1 547 . 1 . 1 56 56 THR HG23 H 1 1.011 0.002 . 1 . . . . A 568 THR HG23 . 36418 1 548 . 1 . 1 56 56 THR C C 13 174.908 0.000 . 1 . . . . A 568 THR C . 36418 1 549 . 1 . 1 56 56 THR CA C 13 66.814 0.144 . 1 . . . . A 568 THR CA . 36418 1 550 . 1 . 1 56 56 THR CB C 13 68.718 0.112 . 1 . . . . A 568 THR CB . 36418 1 551 . 1 . 1 56 56 THR CG2 C 13 21.636 0.064 . 1 . . . . A 568 THR CG2 . 36418 1 552 . 1 . 1 56 56 THR N N 15 117.172 0.037 . 1 . . . . A 568 THR N . 36418 1 553 . 1 . 1 57 57 MET H H 1 8.277 0.002 . 1 . . . . A 569 MET H . 36418 1 554 . 1 . 1 57 57 MET HA H 1 3.601 0.005 . 1 . . . . A 569 MET HA . 36418 1 555 . 1 . 1 57 57 MET HB2 H 1 1.655 0.007 . . . . . . A 569 MET HB2 . 36418 1 556 . 1 . 1 57 57 MET HB3 H 1 1.550 0.006 . . . . . . A 569 MET HB3 . 36418 1 557 . 1 . 1 57 57 MET HG2 H 1 2.256 0.009 . . . . . . A 569 MET HG2 . 36418 1 558 . 1 . 1 57 57 MET HG3 H 1 2.256 0.009 . . . . . . A 569 MET HG3 . 36418 1 559 . 1 . 1 57 57 MET C C 13 177.978 0.000 . 1 . . . . A 569 MET C . 36418 1 560 . 1 . 1 57 57 MET CA C 13 60.015 0.015 . 1 . . . . A 569 MET CA . 36418 1 561 . 1 . 1 57 57 MET CB C 13 32.745 0.013 . 1 . . . . A 569 MET CB . 36418 1 562 . 1 . 1 57 57 MET CG C 13 31.206 0.036 . 1 . . . . A 569 MET CG . 36418 1 563 . 1 . 1 57 57 MET N N 15 121.023 0.023 . 1 . . . . A 569 MET N . 36418 1 564 . 1 . 1 58 58 VAL H H 1 8.059 0.005 . 1 . . . . A 570 VAL H . 36418 1 565 . 1 . 1 58 58 VAL HA H 1 3.251 0.006 . 1 . . . . A 570 VAL HA . 36418 1 566 . 1 . 1 58 58 VAL HB H 1 1.729 0.005 . 1 . . . . A 570 VAL HB . 36418 1 567 . 1 . 1 58 58 VAL HG11 H 1 0.220 0.005 . . . . . . A 570 VAL HG11 . 36418 1 568 . 1 . 1 58 58 VAL HG12 H 1 0.220 0.005 . . . . . . A 570 VAL HG12 . 36418 1 569 . 1 . 1 58 58 VAL HG13 H 1 0.220 0.005 . . . . . . A 570 VAL HG13 . 36418 1 570 . 1 . 1 58 58 VAL HG21 H 1 0.694 0.005 . . . . . . A 570 VAL HG21 . 36418 1 571 . 1 . 1 58 58 VAL HG22 H 1 0.694 0.005 . . . . . . A 570 VAL HG22 . 36418 1 572 . 1 . 1 58 58 VAL HG23 H 1 0.694 0.005 . . . . . . A 570 VAL HG23 . 36418 1 573 . 1 . 1 58 58 VAL C C 13 180.422 0.000 . 1 . . . . A 570 VAL C . 36418 1 574 . 1 . 1 58 58 VAL CA C 13 65.995 0.020 . 1 . . . . A 570 VAL CA . 36418 1 575 . 1 . 1 58 58 VAL CB C 13 31.868 0.058 . 1 . . . . A 570 VAL CB . 36418 1 576 . 1 . 1 58 58 VAL CG1 C 13 22.179 0.030 . . . . . . A 570 VAL CG1 . 36418 1 577 . 1 . 1 58 58 VAL CG2 C 13 20.887 0.024 . . . . . . A 570 VAL CG2 . 36418 1 578 . 1 . 1 58 58 VAL N N 15 119.519 0.022 . 1 . . . . A 570 VAL N . 36418 1 579 . 1 . 1 59 59 LYS H H 1 7.758 0.003 . 1 . . . . A 571 LYS H . 36418 1 580 . 1 . 1 59 59 LYS HA H 1 3.899 0.012 . 1 . . . . A 571 LYS HA . 36418 1 581 . 1 . 1 59 59 LYS HB2 H 1 1.857 0.006 . . . . . . A 571 LYS HB2 . 36418 1 582 . 1 . 1 59 59 LYS HB3 H 1 1.857 0.006 . . . . . . A 571 LYS HB3 . 36418 1 583 . 1 . 1 59 59 LYS HG2 H 1 1.421 0.002 . . . . . . A 571 LYS HG2 . 36418 1 584 . 1 . 1 59 59 LYS HG3 H 1 1.331 0.003 . . . . . . A 571 LYS HG3 . 36418 1 585 . 1 . 1 59 59 LYS HD2 H 1 1.583 0.009 . . . . . . A 571 LYS HD2 . 36418 1 586 . 1 . 1 59 59 LYS HD3 H 1 1.583 0.009 . . . . . . A 571 LYS HD3 . 36418 1 587 . 1 . 1 59 59 LYS HE2 H 1 2.865 0.021 . . . . . . A 571 LYS HE2 . 36418 1 588 . 1 . 1 59 59 LYS HE3 H 1 2.865 0.021 . . . . . . A 571 LYS HE3 . 36418 1 589 . 1 . 1 59 59 LYS C C 13 178.335 0.000 . 1 . . . . A 571 LYS C . 36418 1 590 . 1 . 1 59 59 LYS CA C 13 59.173 0.042 . 1 . . . . A 571 LYS CA . 36418 1 591 . 1 . 1 59 59 LYS CB C 13 32.064 0.049 . 1 . . . . A 571 LYS CB . 36418 1 592 . 1 . 1 59 59 LYS CG C 13 24.899 0.045 . 1 . . . . A 571 LYS CG . 36418 1 593 . 1 . 1 59 59 LYS CD C 13 29.048 0.088 . 1 . . . . A 571 LYS CD . 36418 1 594 . 1 . 1 59 59 LYS CE C 13 41.930 0.001 . 1 . . . . A 571 LYS CE . 36418 1 595 . 1 . 1 59 59 LYS N N 15 122.973 0.027 . 1 . . . . A 571 LYS N . 36418 1 596 . 1 . 1 60 60 LEU H H 1 7.940 0.004 . 1 . . . . A 572 LEU H . 36418 1 597 . 1 . 1 60 60 LEU HA H 1 4.148 0.007 . 1 . . . . A 572 LEU HA . 36418 1 598 . 1 . 1 60 60 LEU HB2 H 1 1.529 0.006 . . . . . . A 572 LEU HB2 . 36418 1 599 . 1 . 1 60 60 LEU HB3 H 1 1.529 0.006 . . . . . . A 572 LEU HB3 . 36418 1 600 . 1 . 1 60 60 LEU HG H 1 1.686 0.012 . 1 . . . . A 572 LEU HG . 36418 1 601 . 1 . 1 60 60 LEU HD21 H 1 0.715 0.007 . . . . . . A 572 LEU HD21 . 36418 1 602 . 1 . 1 60 60 LEU HD22 H 1 0.715 0.007 . . . . . . A 572 LEU HD22 . 36418 1 603 . 1 . 1 60 60 LEU HD23 H 1 0.715 0.007 . . . . . . A 572 LEU HD23 . 36418 1 604 . 1 . 1 60 60 LEU C C 13 175.714 0.000 . 1 . . . . A 572 LEU C . 36418 1 605 . 1 . 1 60 60 LEU CA C 13 54.584 0.031 . 1 . . . . A 572 LEU CA . 36418 1 606 . 1 . 1 60 60 LEU CB C 13 41.586 0.031 . 1 . . . . A 572 LEU CB . 36418 1 607 . 1 . 1 60 60 LEU CG C 13 26.648 0.025 . 1 . . . . A 572 LEU CG . 36418 1 608 . 1 . 1 60 60 LEU CD2 C 13 25.589 0.072 . . . . . . A 572 LEU CD2 . 36418 1 609 . 1 . 1 60 60 LEU N N 15 116.715 0.025 . 1 . . . . A 572 LEU N . 36418 1 610 . 1 . 1 61 61 LYS H H 1 7.792 0.003 . 1 . . . . A 573 LYS H . 36418 1 611 . 1 . 1 61 61 LYS HA H 1 3.903 0.010 . 1 . . . . A 573 LYS HA . 36418 1 612 . 1 . 1 61 61 LYS HB2 H 1 1.971 0.001 . . . . . . A 573 LYS HB2 . 36418 1 613 . 1 . 1 61 61 LYS HB3 H 1 1.860 0.005 . . . . . . A 573 LYS HB3 . 36418 1 614 . 1 . 1 61 61 LYS HG2 H 1 1.282 0.008 . . . . . . A 573 LYS HG2 . 36418 1 615 . 1 . 1 61 61 LYS HG3 H 1 1.282 0.008 . . . . . . A 573 LYS HG3 . 36418 1 616 . 1 . 1 61 61 LYS HD2 H 1 1.606 0.010 . . . . . . A 573 LYS HD2 . 36418 1 617 . 1 . 1 61 61 LYS HD3 H 1 1.606 0.010 . . . . . . A 573 LYS HD3 . 36418 1 618 . 1 . 1 61 61 LYS HE2 H 1 2.926 0.016 . . . . . . A 573 LYS HE2 . 36418 1 619 . 1 . 1 61 61 LYS HE3 H 1 2.926 0.016 . . . . . . A 573 LYS HE3 . 36418 1 620 . 1 . 1 61 61 LYS C C 13 176.530 0.000 . 1 . . . . A 573 LYS C . 36418 1 621 . 1 . 1 61 61 LYS CA C 13 57.204 0.036 . 1 . . . . A 573 LYS CA . 36418 1 622 . 1 . 1 61 61 LYS CB C 13 28.574 0.061 . 1 . . . . A 573 LYS CB . 36418 1 623 . 1 . 1 61 61 LYS CG C 13 24.786 0.055 . 1 . . . . A 573 LYS CG . 36418 1 624 . 1 . 1 61 61 LYS CD C 13 29.125 0.012 . 1 . . . . A 573 LYS CD . 36418 1 625 . 1 . 1 61 61 LYS N N 15 115.733 0.027 . 1 . . . . A 573 LYS N . 36418 1 626 . 1 . 1 62 62 MET H H 1 8.353 0.003 . 1 . . . . A 574 MET H . 36418 1 627 . 1 . 1 62 62 MET HA H 1 4.196 0.006 . 1 . . . . A 574 MET HA . 36418 1 628 . 1 . 1 62 62 MET HB2 H 1 2.164 0.008 . . . . . . A 574 MET HB2 . 36418 1 629 . 1 . 1 62 62 MET HB3 H 1 1.504 0.005 . . . . . . A 574 MET HB3 . 36418 1 630 . 1 . 1 62 62 MET HG2 H 1 2.429 0.004 . . . . . . A 574 MET HG2 . 36418 1 631 . 1 . 1 62 62 MET HG3 H 1 2.306 0.006 . . . . . . A 574 MET HG3 . 36418 1 632 . 1 . 1 62 62 MET C C 13 174.980 0.000 . 1 . . . . A 574 MET C . 36418 1 633 . 1 . 1 62 62 MET CA C 13 56.488 0.073 . 1 . . . . A 574 MET CA . 36418 1 634 . 1 . 1 62 62 MET CB C 13 34.578 0.040 . 1 . . . . A 574 MET CB . 36418 1 635 . 1 . 1 62 62 MET CG C 13 32.313 0.041 . 1 . . . . A 574 MET CG . 36418 1 636 . 1 . 1 62 62 MET N N 15 116.169 0.027 . 1 . . . . A 574 MET N . 36418 1 637 . 1 . 1 63 63 VAL H H 1 6.941 0.005 . 1 . . . . A 575 VAL H . 36418 1 638 . 1 . 1 63 63 VAL HA H 1 3.903 0.007 . 1 . . . . A 575 VAL HA . 36418 1 639 . 1 . 1 63 63 VAL HB H 1 1.981 0.005 . 1 . . . . A 575 VAL HB . 36418 1 640 . 1 . 1 63 63 VAL HG11 H 1 0.460 0.005 . . . . . . A 575 VAL HG11 . 36418 1 641 . 1 . 1 63 63 VAL HG12 H 1 0.460 0.005 . . . . . . A 575 VAL HG12 . 36418 1 642 . 1 . 1 63 63 VAL HG13 H 1 0.460 0.005 . . . . . . A 575 VAL HG13 . 36418 1 643 . 1 . 1 63 63 VAL HG21 H 1 0.186 0.004 . . . . . . A 575 VAL HG21 . 36418 1 644 . 1 . 1 63 63 VAL HG22 H 1 0.186 0.004 . . . . . . A 575 VAL HG22 . 36418 1 645 . 1 . 1 63 63 VAL HG23 H 1 0.186 0.004 . . . . . . A 575 VAL HG23 . 36418 1 646 . 1 . 1 63 63 VAL CA C 13 62.207 0.023 . 1 . . . . A 575 VAL CA . 36418 1 647 . 1 . 1 63 63 VAL CB C 13 33.671 0.055 . 1 . . . . A 575 VAL CB . 36418 1 648 . 1 . 1 63 63 VAL CG1 C 13 22.433 0.014 . . . . . . A 575 VAL CG1 . 36418 1 649 . 1 . 1 63 63 VAL CG2 C 13 19.238 0.035 . . . . . . A 575 VAL CG2 . 36418 1 650 . 1 . 1 63 63 VAL N N 15 118.381 0.031 . 1 . . . . A 575 VAL N . 36418 1 stop_ save_