data_34151 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34151 _Entry.Title ; Solution structure of the complexed RCD1-RST ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-23 _Entry.Accession_date 2017-06-23 _Entry.Last_release_date 2017-07-17 _Entry.Original_release_date 2017-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Bugge K. . . . 34151 2 L. Staby L. . . . 34151 3 K. Skriver K. . . . 34151 4 B. Kragelund B. B. . . 34151 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID L-glove . 34151 'PROTEIN BINDING' . 34151 'alpha-alpha hairpin' . 34151 hub . 34151 'transcription factor binding' . 34151 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34151 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 34151 '15N chemical shifts' 60 34151 '1H chemical shifts' 381 34151 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 . . 2018-04-13 . original BMRB . 34151 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5OAO 'BMRB Entry Tracking System' 34151 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34151 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The alpha-alpha-hub domains: PAH, TAFH, NCBD and RST; A novel hub-family in transcriptional networks ; _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 K. Bugge K. . . . 34151 1 2 L. Staby L. . . . 34151 1 3 K. Kemplen K. R. . . 34151 1 4 S. Bendsen S. K. . . 34151 1 5 M. Jensen M. K. . . 34151 1 6 J. Olsen J. G. . . 34151 1 7 K. Skriver K. . . . 34151 1 8 B. Kragelund B. B. . . 34151 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34151 _Assembly.ID 1 _Assembly.Name 'Inactive poly [ADP-ribose] polymerase RCD1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34151 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34151 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RST domain from the Radical-Induced Cell Death1' _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 ; TTRPKSPWMPFPTLFAAISH KVAENDMLLINADYQQLRDK KMTRAEFVRKLRVIVGDDLL RSTITTLQNQPKS ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8455.854 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Complexed with the peptide DREB2A' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein RADICAL-INDUCED CELL DEATH 1' na 34151 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 500 THR . 34151 1 2 501 THR . 34151 1 3 502 ARG . 34151 1 4 503 PRO . 34151 1 5 504 LYS . 34151 1 6 505 SER . 34151 1 7 506 PRO . 34151 1 8 507 TRP . 34151 1 9 508 MET . 34151 1 10 509 PRO . 34151 1 11 510 PHE . 34151 1 12 511 PRO . 34151 1 13 512 THR . 34151 1 14 513 LEU . 34151 1 15 514 PHE . 34151 1 16 515 ALA . 34151 1 17 516 ALA . 34151 1 18 517 ILE . 34151 1 19 518 SER . 34151 1 20 519 HIS . 34151 1 21 520 LYS . 34151 1 22 521 VAL . 34151 1 23 522 ALA . 34151 1 24 523 GLU . 34151 1 25 524 ASN . 34151 1 26 525 ASP . 34151 1 27 526 MET . 34151 1 28 527 LEU . 34151 1 29 528 LEU . 34151 1 30 529 ILE . 34151 1 31 530 ASN . 34151 1 32 531 ALA . 34151 1 33 532 ASP . 34151 1 34 533 TYR . 34151 1 35 534 GLN . 34151 1 36 535 GLN . 34151 1 37 536 LEU . 34151 1 38 537 ARG . 34151 1 39 538 ASP . 34151 1 40 539 LYS . 34151 1 41 540 LYS . 34151 1 42 541 MET . 34151 1 43 542 THR . 34151 1 44 543 ARG . 34151 1 45 544 ALA . 34151 1 46 545 GLU . 34151 1 47 546 PHE . 34151 1 48 547 VAL . 34151 1 49 548 ARG . 34151 1 50 549 LYS . 34151 1 51 550 LEU . 34151 1 52 551 ARG . 34151 1 53 552 VAL . 34151 1 54 553 ILE . 34151 1 55 554 VAL . 34151 1 56 555 GLY . 34151 1 57 556 ASP . 34151 1 58 557 ASP . 34151 1 59 558 LEU . 34151 1 60 559 LEU . 34151 1 61 560 ARG . 34151 1 62 561 SER . 34151 1 63 562 THR . 34151 1 64 563 ILE . 34151 1 65 564 THR . 34151 1 66 565 THR . 34151 1 67 566 LEU . 34151 1 68 567 GLN . 34151 1 69 568 ASN . 34151 1 70 569 GLN . 34151 1 71 570 PRO . 34151 1 72 571 LYS . 34151 1 73 572 SER . 34151 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 . THR 1 1 34151 1 . THR 2 2 34151 1 . ARG 3 3 34151 1 . PRO 4 4 34151 1 . LYS 5 5 34151 1 . SER 6 6 34151 1 . PRO 7 7 34151 1 . TRP 8 8 34151 1 . MET 9 9 34151 1 . PRO 10 10 34151 1 . PHE 11 11 34151 1 . PRO 12 12 34151 1 . THR 13 13 34151 1 . LEU 14 14 34151 1 . PHE 15 15 34151 1 . ALA 16 16 34151 1 . ALA 17 17 34151 1 . ILE 18 18 34151 1 . SER 19 19 34151 1 . HIS 20 20 34151 1 . LYS 21 21 34151 1 . VAL 22 22 34151 1 . ALA 23 23 34151 1 . GLU 24 24 34151 1 . ASN 25 25 34151 1 . ASP 26 26 34151 1 . MET 27 27 34151 1 . LEU 28 28 34151 1 . LEU 29 29 34151 1 . ILE 30 30 34151 1 . ASN 31 31 34151 1 . ALA 32 32 34151 1 . ASP 33 33 34151 1 . TYR 34 34 34151 1 . GLN 35 35 34151 1 . GLN 36 36 34151 1 . LEU 37 37 34151 1 . ARG 38 38 34151 1 . ASP 39 39 34151 1 . LYS 40 40 34151 1 . LYS 41 41 34151 1 . MET 42 42 34151 1 . THR 43 43 34151 1 . ARG 44 44 34151 1 . ALA 45 45 34151 1 . GLU 46 46 34151 1 . PHE 47 47 34151 1 . VAL 48 48 34151 1 . ARG 49 49 34151 1 . LYS 50 50 34151 1 . LEU 51 51 34151 1 . ARG 52 52 34151 1 . VAL 53 53 34151 1 . ILE 54 54 34151 1 . VAL 55 55 34151 1 . GLY 56 56 34151 1 . ASP 57 57 34151 1 . ASP 58 58 34151 1 . LEU 59 59 34151 1 . LEU 60 60 34151 1 . ARG 61 61 34151 1 . SER 62 62 34151 1 . THR 63 63 34151 1 . ILE 64 64 34151 1 . THR 65 65 34151 1 . THR 66 66 34151 1 . LEU 67 67 34151 1 . GLN 68 68 34151 1 . ASN 69 69 34151 1 . GLN 70 70 34151 1 . PRO 71 71 34151 1 . LYS 72 72 34151 1 . SER 73 73 34151 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 34151 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . 'RCD1, ATP8, CEO1, At1g32230, F3C3.1' . 34151 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 34151 _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' . . 562 Escherichia coli . . . . . . . . . . 34151 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34151 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-13C; U-15N] RCD1-RST, 200 uM DREB2A, 0.2 mg/mL sodium azide, 0.7 mM DSS, 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 DREB2A 'natural abundance' . . . . . . 200 . . uM . . . . 34151 1 2 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 34151 1 3 RCD1-RST '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 34151 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mg/mL . . . . 34151 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34151 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34151 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 uM [U-15N] RCD1-RST, 150 uM DREB2A, 0.2 mg/mL sodium azide, 0.7 mM DSS, 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 DREB2A 'natural abundance' . . . . . . 150 . . uM . . . . 34151 2 2 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 34151 2 3 RCD1-RST [U-15N] . . 1 $entity_1 . . 150 . . uM . . . . 34151 2 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mg/mL . . . . 34151 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34151 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34151 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-13C; U-15N] RCD1-RST, 200 uM [U-13C; U-15N] DREB2A, 0.2 mg/mL sodium azide, 0.7 mM DSS, 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 DREB2A '[U-13C; U-15N]' . . . . . . 200 . . uM . . . . 34151 3 2 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 34151 3 3 RCD1-RST '[U-13C; U-15N]' . . 1 $entity_1 . . 200 . . uM . . . . 34151 3 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mg/mL . . . . 34151 3 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34151 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34151 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-15N] RCD1-RST, 900 uM DREB2A, 50 mg/mL C12E5, 0.2 mg/mL sodium azide, 0.7 mM DSS, 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 C12E5 'natural abundance' . . . . . . 50 . . mg/mL . . . . 34151 4 2 DREB2A 'natural abundance' . . . . . . 900 . . uM . . . . 34151 4 3 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 34151 4 4 RCD1-RST [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 34151 4 5 'sodium azide' 'natural abundance' . . . . . . 0.2 . . mg/mL . . . . 34151 4 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34151 4 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 34151 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34151 1 pH 7.0 . pH 34151 1 pressure 1 . atm 34151 1 temperature 298 . K 34151 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34151 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34151 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34151 1 'data analysis' 34151 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34151 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34151 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34151 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34151 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34151 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34151 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34151 _Software.ID 4 _Software.Type . _Software.Name ProcheckNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 34151 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 34151 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34151 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34151 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34151 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34151 _Software.ID 6 _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' . . 34151 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34151 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34151 _Software.ID 7 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34151 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34151 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 34151 _Software.ID 8 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34151 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34151 8 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 34151 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Room temperature probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 34151 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Room temperature probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34151 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34151 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34151 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 34151 1 2 NMR_spectrometer_2 Varian INOVA . 750 . . . 34151 1 3 NMR_spectrometer_3 Bruker Avance . 750 . . . 34151 1 4 NMR_spectrometer_4 Bruker Avance . 600 . . . 34151 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 34151 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 7 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34151 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34151 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34151 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34151 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 17 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34151 1 19 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34151 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 34151 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS internal' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34151 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34151 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34151 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 34151 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34151 1 2 '3D HNCACB' . . . 34151 1 3 '3D CBCA(CO)NH' . . . 34151 1 4 '3D HNCA' . . . 34151 1 5 '3D HN(CO)CA' . . . 34151 1 6 '3D 1H-15N TOCSY' . . . 34151 1 7 '3D HNHA' . . . 34151 1 8 '3D HNCO' . . . 34151 1 9 '3D 1H-15N NOESY' . . . 34151 1 10 '3D HCCH-TOCSY' . . . 34151 1 11 '3D 1H-13C NOESY aromatic' . . . 34151 1 12 '3D 1H-13C NOESY aliphatic' . . . 34151 1 13 '2D 1H-15N HSQC' . . . 34151 1 14 '2D 1H-15N HSQC' . . . 34151 1 15 '3D 1H-15N NOESY' . . . 34151 1 16 '3D 1H-13C NOESY aromatic' . . . 34151 1 17 '2D 1H-15N IPAP-HSQC' . . . 34151 1 18 '2D 1H-15N HSQC' . . . 34151 1 19 '2D 1H-15N IPAP-HSQC' . . . 34151 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ARG H H 1 8.37 0.024 . 1 . . . . A 502 ARG H . 34151 1 2 . 1 1 3 3 ARG HA H 1 4.681 0 . 1 . . . . A 502 ARG HA . 34151 1 3 . 1 1 3 3 ARG N N 15 125.216 0.05 . 1 . . . . A 502 ARG N . 34151 1 4 . 1 1 8 8 TRP HD1 H 1 7.26 0.001 . 1 . . . . A 507 TRP HD1 . 34151 1 5 . 1 1 8 8 TRP HE1 H 1 10.104 0.012 . 1 . . . . A 507 TRP HE1 . 34151 1 6 . 1 1 8 8 TRP HE3 H 1 7.005 0.008 . 1 . . . . A 507 TRP HE3 . 34151 1 7 . 1 1 8 8 TRP HZ2 H 1 7.532 0.006 . 1 . . . . A 507 TRP HZ2 . 34151 1 8 . 1 1 8 8 TRP HH2 H 1 7.255 0.004 . 1 . . . . A 507 TRP HH2 . 34151 1 9 . 1 1 8 8 TRP CD1 C 13 125.521 0.075 . 1 . . . . A 507 TRP CD1 . 34151 1 10 . 1 1 8 8 TRP CE3 C 13 120.627 0.086 . 1 . . . . A 507 TRP CE3 . 34151 1 11 . 1 1 8 8 TRP CZ2 C 13 113.967 0.062 . 1 . . . . A 507 TRP CZ2 . 34151 1 12 . 1 1 8 8 TRP CH2 C 13 123.63 0.076 . 1 . . . . A 507 TRP CH2 . 34151 1 13 . 1 1 8 8 TRP NE1 N 15 129.485 0 . 1 . . . . A 507 TRP NE1 . 34151 1 14 . 1 1 9 9 MET HE1 H 1 1.956 0 . 1 . . . . A 508 MET HE1 . 34151 1 15 . 1 1 9 9 MET HE2 H 1 1.956 0 . 1 . . . . A 508 MET HE2 . 34151 1 16 . 1 1 9 9 MET HE3 H 1 1.956 0 . 1 . . . . A 508 MET HE3 . 34151 1 17 . 1 1 9 9 MET CE C 13 16.747 0 . 1 . . . . A 508 MET CE . 34151 1 18 . 1 1 13 13 THR H H 1 7.093 0.012 . 1 . . . . A 512 THR H . 34151 1 19 . 1 1 13 13 THR HA H 1 4.019 0.013 . 1 . . . . A 512 THR HA . 34151 1 20 . 1 1 13 13 THR HB H 1 4.269 0.01 . 1 . . . . A 512 THR HB . 34151 1 21 . 1 1 13 13 THR HG21 H 1 1.318 0.015 . 1 . . . . A 512 THR HG21 . 34151 1 22 . 1 1 13 13 THR HG22 H 1 1.318 0.015 . 1 . . . . A 512 THR HG22 . 34151 1 23 . 1 1 13 13 THR HG23 H 1 1.318 0.015 . 1 . . . . A 512 THR HG23 . 34151 1 24 . 1 1 13 13 THR C C 13 176.3 0.021 . 1 . . . . A 512 THR C . 34151 1 25 . 1 1 13 13 THR CA C 13 66.419 0.049 . 1 . . . . A 512 THR CA . 34151 1 26 . 1 1 13 13 THR CB C 13 68.606 0.053 . 1 . . . . A 512 THR CB . 34151 1 27 . 1 1 13 13 THR CG2 C 13 22.088 0.069 . 1 . . . . A 512 THR CG2 . 34151 1 28 . 1 1 13 13 THR N N 15 114.769 0.041 . 1 . . . . A 512 THR N . 34151 1 29 . 1 1 14 14 LEU H H 1 7.103 0.011 . 1 . . . . A 513 LEU H . 34151 1 30 . 1 1 14 14 LEU HA H 1 4.062 0.011 . 1 . . . . A 513 LEU HA . 34151 1 31 . 1 1 14 14 LEU HB2 H 1 2.148 0.009 . 2 . . . . A 513 LEU HB2 . 34151 1 32 . 1 1 14 14 LEU HB3 H 1 1.487 0.012 . 2 . . . . A 513 LEU HB3 . 34151 1 33 . 1 1 14 14 LEU C C 13 178.446 0.014 . 1 . . . . A 513 LEU C . 34151 1 34 . 1 1 14 14 LEU CA C 13 58.158 0.068 . 1 . . . . A 513 LEU CA . 34151 1 35 . 1 1 14 14 LEU CB C 13 41.339 0.072 . 1 . . . . A 513 LEU CB . 34151 1 36 . 1 1 14 14 LEU N N 15 123.533 0.041 . 1 . . . . A 513 LEU N . 34151 1 37 . 1 1 15 15 PHE H H 1 8.383 0.013 . 1 . . . . A 514 PHE H . 34151 1 38 . 1 1 15 15 PHE HA H 1 4.43 0.01 . 1 . . . . A 514 PHE HA . 34151 1 39 . 1 1 15 15 PHE HB2 H 1 3.27 0.011 . 2 . . . . A 514 PHE HB2 . 34151 1 40 . 1 1 15 15 PHE HB3 H 1 3.068 0.015 . 2 . . . . A 514 PHE HB3 . 34151 1 41 . 1 1 15 15 PHE HD1 H 1 6.922 0.006 . 1 . . . . A 514 PHE HD1 . 34151 1 42 . 1 1 15 15 PHE HD2 H 1 6.922 0.006 . 1 . . . . A 514 PHE HD2 . 34151 1 43 . 1 1 15 15 PHE C C 13 177.982 0.002 . 1 . . . . A 514 PHE C . 34151 1 44 . 1 1 15 15 PHE CA C 13 57.177 0.066 . 1 . . . . A 514 PHE CA . 34151 1 45 . 1 1 15 15 PHE CB C 13 36.513 0.047 . 1 . . . . A 514 PHE CB . 34151 1 46 . 1 1 15 15 PHE CD1 C 13 128.637 0.061 . 1 . . . . A 514 PHE CD1 . 34151 1 47 . 1 1 15 15 PHE N N 15 117.087 0.029 . 1 . . . . A 514 PHE N . 34151 1 48 . 1 1 16 16 ALA H H 1 8.001 0.012 . 1 . . . . A 515 ALA H . 34151 1 49 . 1 1 16 16 ALA HA H 1 4.178 0.011 . 1 . . . . A 515 ALA HA . 34151 1 50 . 1 1 16 16 ALA HB1 H 1 1.567 0.011 . 1 . . . . A 515 ALA HB1 . 34151 1 51 . 1 1 16 16 ALA HB2 H 1 1.567 0.011 . 1 . . . . A 515 ALA HB2 . 34151 1 52 . 1 1 16 16 ALA HB3 H 1 1.567 0.011 . 1 . . . . A 515 ALA HB3 . 34151 1 53 . 1 1 16 16 ALA C C 13 180.112 0.01 . 1 . . . . A 515 ALA C . 34151 1 54 . 1 1 16 16 ALA CA C 13 55.036 0.066 . 1 . . . . A 515 ALA CA . 34151 1 55 . 1 1 16 16 ALA CB C 13 17.944 0.04 . 1 . . . . A 515 ALA CB . 34151 1 56 . 1 1 16 16 ALA N N 15 120.156 0.105 . 1 . . . . A 515 ALA N . 34151 1 57 . 1 1 17 17 ALA H H 1 7.359 0.016 . 1 . . . . A 516 ALA H . 34151 1 58 . 1 1 17 17 ALA HA H 1 4.397 0.011 . 1 . . . . A 516 ALA HA . 34151 1 59 . 1 1 17 17 ALA HB1 H 1 1.599 0.013 . 1 . . . . A 516 ALA HB1 . 34151 1 60 . 1 1 17 17 ALA HB2 H 1 1.599 0.013 . 1 . . . . A 516 ALA HB2 . 34151 1 61 . 1 1 17 17 ALA HB3 H 1 1.599 0.013 . 1 . . . . A 516 ALA HB3 . 34151 1 62 . 1 1 17 17 ALA C C 13 180.257 0.006 . 1 . . . . A 516 ALA C . 34151 1 63 . 1 1 17 17 ALA CA C 13 54.53 0.088 . 1 . . . . A 516 ALA CA . 34151 1 64 . 1 1 17 17 ALA CB C 13 19.601 0.025 . 1 . . . . A 516 ALA CB . 34151 1 65 . 1 1 17 17 ALA N N 15 119.27 0.027 . 1 . . . . A 516 ALA N . 34151 1 66 . 1 1 18 18 ILE H H 1 8.163 0.013 . 1 . . . . A 517 ILE H . 34151 1 67 . 1 1 18 18 ILE HA H 1 4.148 0.017 . 1 . . . . A 517 ILE HA . 34151 1 68 . 1 1 18 18 ILE HB H 1 2.103 0.016 . 1 . . . . A 517 ILE HB . 34151 1 69 . 1 1 18 18 ILE HG21 H 1 0.969 0.016 . 1 . . . . A 517 ILE HG21 . 34151 1 70 . 1 1 18 18 ILE HG22 H 1 0.969 0.016 . 1 . . . . A 517 ILE HG22 . 34151 1 71 . 1 1 18 18 ILE HG23 H 1 0.969 0.016 . 1 . . . . A 517 ILE HG23 . 34151 1 72 . 1 1 18 18 ILE HD11 H 1 0.84 0.019 . 1 . . . . A 517 ILE HD11 . 34151 1 73 . 1 1 18 18 ILE HD12 H 1 0.84 0.019 . 1 . . . . A 517 ILE HD12 . 34151 1 74 . 1 1 18 18 ILE HD13 H 1 0.84 0.019 . 1 . . . . A 517 ILE HD13 . 34151 1 75 . 1 1 18 18 ILE C C 13 178.088 0.019 . 1 . . . . A 517 ILE C . 34151 1 76 . 1 1 18 18 ILE CA C 13 63.46 0.046 . 1 . . . . A 517 ILE CA . 34151 1 77 . 1 1 18 18 ILE CB C 13 38.729 0.044 . 1 . . . . A 517 ILE CB . 34151 1 78 . 1 1 18 18 ILE CG2 C 13 18.113 0.028 . 1 . . . . A 517 ILE CG2 . 34151 1 79 . 1 1 18 18 ILE CD1 C 13 14.197 0.022 . 1 . . . . A 517 ILE CD1 . 34151 1 80 . 1 1 18 18 ILE N N 15 112.903 0.08 . 1 . . . . A 517 ILE N . 34151 1 81 . 1 1 19 19 SER H H 1 7.961 0.013 . 1 . . . . A 518 SER H . 34151 1 82 . 1 1 19 19 SER HA H 1 4.247 0.006 . 1 . . . . A 518 SER HA . 34151 1 83 . 1 1 19 19 SER HB2 H 1 3.934 0.018 . 1 . . . . A 518 SER HB2 . 34151 1 84 . 1 1 19 19 SER C C 13 175.125 0.046 . 1 . . . . A 518 SER C . 34151 1 85 . 1 1 19 19 SER CA C 13 61.977 0.109 . 1 . . . . A 518 SER CA . 34151 1 86 . 1 1 19 19 SER CB C 13 62.999 0.052 . 1 . . . . A 518 SER CB . 34151 1 87 . 1 1 19 19 SER N N 15 116.652 0.029 . 1 . . . . A 518 SER N . 34151 1 88 . 1 1 20 20 HIS H H 1 7.267 0.013 . 1 . . . . A 519 HIS H . 34151 1 89 . 1 1 20 20 HIS HA H 1 4.735 0.019 . 1 . . . . A 519 HIS HA . 34151 1 90 . 1 1 20 20 HIS HB2 H 1 3.337 0.011 . 2 . . . . A 519 HIS HB2 . 34151 1 91 . 1 1 20 20 HIS HB3 H 1 3.14 0.01 . 2 . . . . A 519 HIS HB3 . 34151 1 92 . 1 1 20 20 HIS C C 13 176.041 0.065 . 1 . . . . A 519 HIS C . 34151 1 93 . 1 1 20 20 HIS CB C 13 29.936 0.032 . 1 . . . . A 519 HIS CB . 34151 1 94 . 1 1 20 20 HIS N N 15 110.53 0.039 . 1 . . . . A 519 HIS N . 34151 1 95 . 1 1 21 21 LYS H H 1 8.033 0.016 . 1 . . . . A 520 LYS H . 34151 1 96 . 1 1 21 21 LYS HA H 1 4.517 0.024 . 1 . . . . A 520 LYS HA . 34151 1 97 . 1 1 21 21 LYS HB2 H 1 2.064 0.014 . 2 . . . . A 520 LYS HB2 . 34151 1 98 . 1 1 21 21 LYS HB3 H 1 1.687 0.016 . 2 . . . . A 520 LYS HB3 . 34151 1 99 . 1 1 21 21 LYS HG2 H 1 1.349 0.015 . 2 . . . . A 520 LYS HG2 . 34151 1 100 . 1 1 21 21 LYS HG3 H 1 1.234 0.016 . 2 . . . . A 520 LYS HG3 . 34151 1 101 . 1 1 21 21 LYS C C 13 175.583 0.003 . 1 . . . . A 520 LYS C . 34151 1 102 . 1 1 21 21 LYS CA C 13 55.345 0.044 . 1 . . . . A 520 LYS CA . 34151 1 103 . 1 1 21 21 LYS CB C 13 35.144 0.028 . 1 . . . . A 520 LYS CB . 34151 1 104 . 1 1 21 21 LYS CG C 13 24.655 0.03 . 1 . . . . A 520 LYS CG . 34151 1 105 . 1 1 21 21 LYS N N 15 117.521 0.047 . 1 . . . . A 520 LYS N . 34151 1 106 . 1 1 22 22 VAL H H 1 7.213 0.009 . 1 . . . . A 521 VAL H . 34151 1 107 . 1 1 22 22 VAL HA H 1 4.47 0.014 . 1 . . . . A 521 VAL HA . 34151 1 108 . 1 1 22 22 VAL HB H 1 2.238 0.017 . 1 . . . . A 521 VAL HB . 34151 1 109 . 1 1 22 22 VAL HG11 H 1 0.94 0.011 . 2 . . . . A 521 VAL HG11 . 34151 1 110 . 1 1 22 22 VAL HG12 H 1 0.94 0.011 . 2 . . . . A 521 VAL HG12 . 34151 1 111 . 1 1 22 22 VAL HG13 H 1 0.94 0.011 . 2 . . . . A 521 VAL HG13 . 34151 1 112 . 1 1 22 22 VAL HG21 H 1 0.814 0.009 . 2 . . . . A 521 VAL HG21 . 34151 1 113 . 1 1 22 22 VAL HG22 H 1 0.814 0.009 . 2 . . . . A 521 VAL HG22 . 34151 1 114 . 1 1 22 22 VAL HG23 H 1 0.814 0.009 . 2 . . . . A 521 VAL HG23 . 34151 1 115 . 1 1 22 22 VAL C C 13 174.778 0.006 . 1 . . . . A 521 VAL C . 34151 1 116 . 1 1 22 22 VAL CA C 13 59.889 0.033 . 1 . . . . A 521 VAL CA . 34151 1 117 . 1 1 22 22 VAL CB C 13 34.255 0.068 . 1 . . . . A 521 VAL CB . 34151 1 118 . 1 1 22 22 VAL CG1 C 13 22.041 0.019 . 2 . . . . A 521 VAL CG1 . 34151 1 119 . 1 1 22 22 VAL CG2 C 13 20.623 0.045 . 2 . . . . A 521 VAL CG2 . 34151 1 120 . 1 1 22 22 VAL N N 15 115.45 0.065 . 1 . . . . A 521 VAL N . 34151 1 121 . 1 1 23 23 ALA H H 1 8.822 0.009 . 1 . . . . A 522 ALA H . 34151 1 122 . 1 1 23 23 ALA HA H 1 4.313 0.017 . 1 . . . . A 522 ALA HA . 34151 1 123 . 1 1 23 23 ALA HB1 H 1 1.534 0.014 . 1 . . . . A 522 ALA HB1 . 34151 1 124 . 1 1 23 23 ALA HB2 H 1 1.534 0.014 . 1 . . . . A 522 ALA HB2 . 34151 1 125 . 1 1 23 23 ALA HB3 H 1 1.534 0.014 . 1 . . . . A 522 ALA HB3 . 34151 1 126 . 1 1 23 23 ALA C C 13 179.029 0.009 . 1 . . . . A 522 ALA C . 34151 1 127 . 1 1 23 23 ALA CA C 13 52.121 0.049 . 1 . . . . A 522 ALA CA . 34151 1 128 . 1 1 23 23 ALA CB C 13 19.345 0.031 . 1 . . . . A 522 ALA CB . 34151 1 129 . 1 1 23 23 ALA N N 15 126.376 0.049 . 1 . . . . A 522 ALA N . 34151 1 130 . 1 1 24 24 GLU H H 1 8.994 0.011 . 1 . . . . A 523 GLU H . 34151 1 131 . 1 1 24 24 GLU HA H 1 3.919 0.014 . 1 . . . . A 523 GLU HA . 34151 1 132 . 1 1 24 24 GLU HB2 H 1 2.005 0.013 . 2 . . . . A 523 GLU HB2 . 34151 1 133 . 1 1 24 24 GLU HB3 H 1 2.087 0.017 . 2 . . . . A 523 GLU HB3 . 34151 1 134 . 1 1 24 24 GLU HG2 H 1 2.334 0.023 . 1 . . . . A 523 GLU HG2 . 34151 1 135 . 1 1 24 24 GLU C C 13 179.235 0.024 . 1 . . . . A 523 GLU C . 34151 1 136 . 1 1 24 24 GLU CA C 13 60.336 0.036 . 1 . . . . A 523 GLU CA . 34151 1 137 . 1 1 24 24 GLU CB C 13 29.641 0.081 . 1 . . . . A 523 GLU CB . 34151 1 138 . 1 1 24 24 GLU CG C 13 36.38 0.072 . 1 . . . . A 523 GLU CG . 34151 1 139 . 1 1 24 24 GLU N N 15 123.216 0.049 . 1 . . . . A 523 GLU N . 34151 1 140 . 1 1 25 25 ASN H H 1 8.925 0.013 . 1 . . . . A 524 ASN H . 34151 1 141 . 1 1 25 25 ASN HA H 1 4.368 0.018 . 1 . . . . A 524 ASN HA . 34151 1 142 . 1 1 25 25 ASN HB2 H 1 2.735 0.01 . 1 . . . . A 524 ASN HB2 . 34151 1 143 . 1 1 25 25 ASN C C 13 177.489 0.012 . 1 . . . . A 524 ASN C . 34151 1 144 . 1 1 25 25 ASN CA C 13 56.26 0.055 . 1 . . . . A 524 ASN CA . 34151 1 145 . 1 1 25 25 ASN CB C 13 37.831 0.028 . 1 . . . . A 524 ASN CB . 34151 1 146 . 1 1 25 25 ASN N N 15 114.953 0.051 . 1 . . . . A 524 ASN N . 34151 1 147 . 1 1 26 26 ASP H H 1 7.048 0.01 . 1 . . . . A 525 ASP H . 34151 1 148 . 1 1 26 26 ASP HA H 1 4.552 0.015 . 1 . . . . A 525 ASP HA . 34151 1 149 . 1 1 26 26 ASP HB2 H 1 2.254 0.017 . 2 . . . . A 525 ASP HB2 . 34151 1 150 . 1 1 26 26 ASP HB3 H 1 2.779 0.016 . 2 . . . . A 525 ASP HB3 . 34151 1 151 . 1 1 26 26 ASP C C 13 178.2 0.008 . 1 . . . . A 525 ASP C . 34151 1 152 . 1 1 26 26 ASP CA C 13 57.17 0.045 . 1 . . . . A 525 ASP CA . 34151 1 153 . 1 1 26 26 ASP CB C 13 40.401 0.038 . 1 . . . . A 525 ASP CB . 34151 1 154 . 1 1 26 26 ASP N N 15 119.718 0.03 . 1 . . . . A 525 ASP N . 34151 1 155 . 1 1 27 27 MET H H 1 7.733 0.013 . 1 . . . . A 526 MET H . 34151 1 156 . 1 1 27 27 MET HA H 1 4.362 0.012 . 1 . . . . A 526 MET HA . 34151 1 157 . 1 1 27 27 MET HB2 H 1 2.005 0.011 . 1 . . . . A 526 MET HB2 . 34151 1 158 . 1 1 27 27 MET HG2 H 1 2.486 0.013 . 2 . . . . A 526 MET HG2 . 34151 1 159 . 1 1 27 27 MET HG3 H 1 2.506 0.015 . 2 . . . . A 526 MET HG3 . 34151 1 160 . 1 1 27 27 MET HE1 H 1 1.766 0.007 . 1 . . . . A 526 MET HE1 . 34151 1 161 . 1 1 27 27 MET HE2 H 1 1.766 0.007 . 1 . . . . A 526 MET HE2 . 34151 1 162 . 1 1 27 27 MET HE3 H 1 1.766 0.007 . 1 . . . . A 526 MET HE3 . 34151 1 163 . 1 1 27 27 MET C C 13 179.26 0.032 . 1 . . . . A 526 MET C . 34151 1 164 . 1 1 27 27 MET CA C 13 56.015 0.046 . 1 . . . . A 526 MET CA . 34151 1 165 . 1 1 27 27 MET CB C 13 29.786 0.029 . 1 . . . . A 526 MET CB . 34151 1 166 . 1 1 27 27 MET CG C 13 31.492 0.059 . 1 . . . . A 526 MET CG . 34151 1 167 . 1 1 27 27 MET CE C 13 15.395 0.018 . 1 . . . . A 526 MET CE . 34151 1 168 . 1 1 27 27 MET N N 15 118.877 0.047 . 1 . . . . A 526 MET N . 34151 1 169 . 1 1 28 28 LEU H H 1 7.81 0.014 . 1 . . . . A 527 LEU H . 34151 1 170 . 1 1 28 28 LEU HA H 1 4.063 0.019 . 1 . . . . A 527 LEU HA . 34151 1 171 . 1 1 28 28 LEU HB2 H 1 1.908 0.02 . 2 . . . . A 527 LEU HB2 . 34151 1 172 . 1 1 28 28 LEU HB3 H 1 1.552 0.01 . 2 . . . . A 527 LEU HB3 . 34151 1 173 . 1 1 28 28 LEU HG H 1 1.91 0.006 . 1 . . . . A 527 LEU HG . 34151 1 174 . 1 1 28 28 LEU HD11 H 1 0.903 0.046 . 1 . . . . A 527 LEU HD11 . 34151 1 175 . 1 1 28 28 LEU HD12 H 1 0.903 0.046 . 1 . . . . A 527 LEU HD12 . 34151 1 176 . 1 1 28 28 LEU HD13 H 1 0.903 0.046 . 1 . . . . A 527 LEU HD13 . 34151 1 177 . 1 1 28 28 LEU C C 13 180.623 0.008 . 1 . . . . A 527 LEU C . 34151 1 178 . 1 1 28 28 LEU CA C 13 58.57 0.046 . 1 . . . . A 527 LEU CA . 34151 1 179 . 1 1 28 28 LEU CB C 13 41.456 0.036 . 1 . . . . A 527 LEU CB . 34151 1 180 . 1 1 28 28 LEU CG C 13 26.392 0.064 . 1 . . . . A 527 LEU CG . 34151 1 181 . 1 1 28 28 LEU CD1 C 13 24.574 1.024 . 1 . . . . A 527 LEU CD1 . 34151 1 182 . 1 1 28 28 LEU N N 15 119.357 0.112 . 1 . . . . A 527 LEU N . 34151 1 183 . 1 1 29 29 LEU H H 1 7.349 0.013 . 1 . . . . A 528 LEU H . 34151 1 184 . 1 1 29 29 LEU HA H 1 4.059 0.012 . 1 . . . . A 528 LEU HA . 34151 1 185 . 1 1 29 29 LEU HB2 H 1 2.068 0.012 . 2 . . . . A 528 LEU HB2 . 34151 1 186 . 1 1 29 29 LEU HB3 H 1 1.565 0.009 . 2 . . . . A 528 LEU HB3 . 34151 1 187 . 1 1 29 29 LEU HD11 H 1 0.838 0.015 . 2 . . . . A 528 LEU HD11 . 34151 1 188 . 1 1 29 29 LEU HD12 H 1 0.838 0.015 . 2 . . . . A 528 LEU HD12 . 34151 1 189 . 1 1 29 29 LEU HD13 H 1 0.838 0.015 . 2 . . . . A 528 LEU HD13 . 34151 1 190 . 1 1 29 29 LEU HD21 H 1 0.936 0.018 . 2 . . . . A 528 LEU HD21 . 34151 1 191 . 1 1 29 29 LEU HD22 H 1 0.936 0.018 . 2 . . . . A 528 LEU HD22 . 34151 1 192 . 1 1 29 29 LEU HD23 H 1 0.936 0.018 . 2 . . . . A 528 LEU HD23 . 34151 1 193 . 1 1 29 29 LEU C C 13 179.409 0.006 . 1 . . . . A 528 LEU C . 34151 1 194 . 1 1 29 29 LEU CA C 13 58.007 0.077 . 1 . . . . A 528 LEU CA . 34151 1 195 . 1 1 29 29 LEU CB C 13 41.549 0.057 . 1 . . . . A 528 LEU CB . 34151 1 196 . 1 1 29 29 LEU CD1 C 13 22.961 0.049 . 2 . . . . A 528 LEU CD1 . 34151 1 197 . 1 1 29 29 LEU CD2 C 13 25.539 0.039 . 2 . . . . A 528 LEU CD2 . 34151 1 198 . 1 1 29 29 LEU N N 15 120.871 0.029 . 1 . . . . A 528 LEU N . 34151 1 199 . 1 1 30 30 ILE H H 1 7.956 0.015 . 1 . . . . A 529 ILE H . 34151 1 200 . 1 1 30 30 ILE HA H 1 3.666 0.013 . 1 . . . . A 529 ILE HA . 34151 1 201 . 1 1 30 30 ILE HB H 1 1.668 0.016 . 1 . . . . A 529 ILE HB . 34151 1 202 . 1 1 30 30 ILE HG12 H 1 0.787 0.011 . 2 . . . . A 529 ILE HG12 . 34151 1 203 . 1 1 30 30 ILE HG13 H 1 1.811 0.017 . 2 . . . . A 529 ILE HG13 . 34151 1 204 . 1 1 30 30 ILE HG21 H 1 0.238 0.005 . 1 . . . . A 529 ILE HG21 . 34151 1 205 . 1 1 30 30 ILE HG22 H 1 0.238 0.005 . 1 . . . . A 529 ILE HG22 . 34151 1 206 . 1 1 30 30 ILE HG23 H 1 0.238 0.005 . 1 . . . . A 529 ILE HG23 . 34151 1 207 . 1 1 30 30 ILE HD11 H 1 0.635 0.01 . 1 . . . . A 529 ILE HD11 . 34151 1 208 . 1 1 30 30 ILE HD12 H 1 0.635 0.01 . 1 . . . . A 529 ILE HD12 . 34151 1 209 . 1 1 30 30 ILE HD13 H 1 0.635 0.01 . 1 . . . . A 529 ILE HD13 . 34151 1 210 . 1 1 30 30 ILE C C 13 178.156 0.003 . 1 . . . . A 529 ILE C . 34151 1 211 . 1 1 30 30 ILE CA C 13 65.232 0.036 . 1 . . . . A 529 ILE CA . 34151 1 212 . 1 1 30 30 ILE CB C 13 38.242 0.039 . 1 . . . . A 529 ILE CB . 34151 1 213 . 1 1 30 30 ILE CG1 C 13 29.137 0.012 . 1 . . . . A 529 ILE CG1 . 34151 1 214 . 1 1 30 30 ILE CG2 C 13 16.361 0.022 . 1 . . . . A 529 ILE CG2 . 34151 1 215 . 1 1 30 30 ILE CD1 C 13 13.901 0.018 . 1 . . . . A 529 ILE CD1 . 34151 1 216 . 1 1 30 30 ILE N N 15 120.709 0.073 . 1 . . . . A 529 ILE N . 34151 1 217 . 1 1 31 31 ASN H H 1 8.406 0.009 . 1 . . . . A 530 ASN H . 34151 1 218 . 1 1 31 31 ASN HA H 1 4.301 0.009 . 1 . . . . A 530 ASN HA . 34151 1 219 . 1 1 31 31 ASN HB2 H 1 2.782 0.015 . 2 . . . . A 530 ASN HB2 . 34151 1 220 . 1 1 31 31 ASN HB3 H 1 2.724 0.012 . 2 . . . . A 530 ASN HB3 . 34151 1 221 . 1 1 31 31 ASN C C 13 178.13 0.007 . 1 . . . . A 530 ASN C . 34151 1 222 . 1 1 31 31 ASN CA C 13 56.345 0.06 . 1 . . . . A 530 ASN CA . 34151 1 223 . 1 1 31 31 ASN CB C 13 38.374 0.08 . 1 . . . . A 530 ASN CB . 34151 1 224 . 1 1 31 31 ASN N N 15 117.05 0.026 . 1 . . . . A 530 ASN N . 34151 1 225 . 1 1 32 32 ALA H H 1 7.942 0.015 . 1 . . . . A 531 ALA H . 34151 1 226 . 1 1 32 32 ALA HA H 1 4.237 0.01 . 1 . . . . A 531 ALA HA . 34151 1 227 . 1 1 32 32 ALA HB1 H 1 1.547 0.016 . 1 . . . . A 531 ALA HB1 . 34151 1 228 . 1 1 32 32 ALA HB2 H 1 1.547 0.016 . 1 . . . . A 531 ALA HB2 . 34151 1 229 . 1 1 32 32 ALA HB3 H 1 1.547 0.016 . 1 . . . . A 531 ALA HB3 . 34151 1 230 . 1 1 32 32 ALA C C 13 178.148 0 . 1 . . . . A 531 ALA C . 34151 1 231 . 1 1 32 32 ALA CA C 13 55.339 0.043 . 1 . . . . A 531 ALA CA . 34151 1 232 . 1 1 32 32 ALA CB C 13 17.942 0.052 . 1 . . . . A 531 ALA CB . 34151 1 233 . 1 1 32 32 ALA N N 15 123.719 0.08 . 1 . . . . A 531 ALA N . 34151 1 234 . 1 1 33 33 ASP H H 1 8.158 0.016 . 1 . . . . A 532 ASP H . 34151 1 235 . 1 1 33 33 ASP HA H 1 4.469 0.014 . 1 . . . . A 532 ASP HA . 34151 1 236 . 1 1 33 33 ASP HB2 H 1 3.101 0.012 . 2 . . . . A 532 ASP HB2 . 34151 1 237 . 1 1 33 33 ASP HB3 H 1 2.672 0.011 . 2 . . . . A 532 ASP HB3 . 34151 1 238 . 1 1 33 33 ASP C C 13 177.941 0.007 . 1 . . . . A 532 ASP C . 34151 1 239 . 1 1 33 33 ASP CA C 13 57.532 0.054 . 1 . . . . A 532 ASP CA . 34151 1 240 . 1 1 33 33 ASP CB C 13 39.317 0.057 . 1 . . . . A 532 ASP CB . 34151 1 241 . 1 1 33 33 ASP N N 15 121.382 0.034 . 1 . . . . A 532 ASP N . 34151 1 242 . 1 1 34 34 TYR H H 1 9.199 0.008 . 1 . . . . A 533 TYR H . 34151 1 243 . 1 1 34 34 TYR HA H 1 3.587 0.011 . 1 . . . . A 533 TYR HA . 34151 1 244 . 1 1 34 34 TYR HB2 H 1 2.957 0.01 . 1 . . . . A 533 TYR HB2 . 34151 1 245 . 1 1 34 34 TYR HD1 H 1 6.527 0.008 . 1 . . . . A 533 TYR HD1 . 34151 1 246 . 1 1 34 34 TYR HD2 H 1 6.527 0.008 . 1 . . . . A 533 TYR HD2 . 34151 1 247 . 1 1 34 34 TYR HE1 H 1 6.556 0.008 . 1 . . . . A 533 TYR HE1 . 34151 1 248 . 1 1 34 34 TYR HE2 H 1 6.556 0.008 . 1 . . . . A 533 TYR HE2 . 34151 1 249 . 1 1 34 34 TYR C C 13 177.463 0 . 1 . . . . A 533 TYR C . 34151 1 250 . 1 1 34 34 TYR CA C 13 60.375 0.018 . 1 . . . . A 533 TYR CA . 34151 1 251 . 1 1 34 34 TYR CB C 13 37.814 0.053 . 1 . . . . A 533 TYR CB . 34151 1 252 . 1 1 34 34 TYR CD1 C 13 131.701 0.082 . 1 . . . . A 533 TYR CD1 . 34151 1 253 . 1 1 34 34 TYR CE1 C 13 116.829 0.011 . 1 . . . . A 533 TYR CE1 . 34151 1 254 . 1 1 34 34 TYR N N 15 122.219 0.065 . 1 . . . . A 533 TYR N . 34151 1 255 . 1 1 35 35 GLN H H 1 7.97 0.011 . 1 . . . . A 534 GLN H . 34151 1 256 . 1 1 35 35 GLN HA H 1 3.643 0.012 . 1 . . . . A 534 GLN HA . 34151 1 257 . 1 1 35 35 GLN HB2 H 1 2.16 0.016 . 1 . . . . A 534 GLN HB2 . 34151 1 258 . 1 1 35 35 GLN HG2 H 1 2.414 0.01 . 1 . . . . A 534 GLN HG2 . 34151 1 259 . 1 1 35 35 GLN C C 13 178.17 0.008 . 1 . . . . A 534 GLN C . 34151 1 260 . 1 1 35 35 GLN CA C 13 58.532 0.047 . 1 . . . . A 534 GLN CA . 34151 1 261 . 1 1 35 35 GLN CB C 13 27.718 0.047 . 1 . . . . A 534 GLN CB . 34151 1 262 . 1 1 35 35 GLN CG C 13 33.387 0.044 . 1 . . . . A 534 GLN CG . 34151 1 263 . 1 1 35 35 GLN N N 15 117.989 0.04 . 1 . . . . A 534 GLN N . 34151 1 264 . 1 1 36 36 GLN H H 1 7.321 0.012 . 1 . . . . A 535 GLN H . 34151 1 265 . 1 1 36 36 GLN HA H 1 4.054 0.011 . 1 . . . . A 535 GLN HA . 34151 1 266 . 1 1 36 36 GLN HB2 H 1 1.947 0.01 . 2 . . . . A 535 GLN HB2 . 34151 1 267 . 1 1 36 36 GLN HB3 H 1 2.549 0.022 . 2 . . . . A 535 GLN HB3 . 34151 1 268 . 1 1 36 36 GLN HG2 H 1 2.378 0.014 . 2 . . . . A 535 GLN HG2 . 34151 1 269 . 1 1 36 36 GLN HG3 H 1 2.648 0.003 . 2 . . . . A 535 GLN HG3 . 34151 1 270 . 1 1 36 36 GLN C C 13 178.69 0.02 . 1 . . . . A 535 GLN C . 34151 1 271 . 1 1 36 36 GLN CA C 13 59.468 0.052 . 1 . . . . A 535 GLN CA . 34151 1 272 . 1 1 36 36 GLN CB C 13 28.891 0.052 . 1 . . . . A 535 GLN CB . 34151 1 273 . 1 1 36 36 GLN CG C 13 34.379 0.045 . 1 . . . . A 535 GLN CG . 34151 1 274 . 1 1 36 36 GLN N N 15 116.71 0.107 . 1 . . . . A 535 GLN N . 34151 1 275 . 1 1 37 37 LEU H H 1 8.029 0.006 . 1 . . . . A 536 LEU H . 34151 1 276 . 1 1 37 37 LEU HA H 1 4.212 0.016 . 1 . . . . A 536 LEU HA . 34151 1 277 . 1 1 37 37 LEU HB2 H 1 0.97 0.015 . 2 . . . . A 536 LEU HB2 . 34151 1 278 . 1 1 37 37 LEU HB3 H 1 1.836 0.01 . 2 . . . . A 536 LEU HB3 . 34151 1 279 . 1 1 37 37 LEU HG H 1 1.223 0.009 . 1 . . . . A 536 LEU HG . 34151 1 280 . 1 1 37 37 LEU HD11 H 1 0.655 0.165 . 1 . . . . A 536 LEU HD11 . 34151 1 281 . 1 1 37 37 LEU HD12 H 1 0.655 0.165 . 1 . . . . A 536 LEU HD12 . 34151 1 282 . 1 1 37 37 LEU HD13 H 1 0.655 0.165 . 1 . . . . A 536 LEU HD13 . 34151 1 283 . 1 1 37 37 LEU C C 13 180.843 0.019 . 1 . . . . A 536 LEU C . 34151 1 284 . 1 1 37 37 LEU CA C 13 58.404 0.073 . 1 . . . . A 536 LEU CA . 34151 1 285 . 1 1 37 37 LEU CB C 13 41.076 0.04 . 1 . . . . A 536 LEU CB . 34151 1 286 . 1 1 37 37 LEU CG C 13 26.855 0.031 . 1 . . . . A 536 LEU CG . 34151 1 287 . 1 1 37 37 LEU CD1 C 13 24.698 1.04 . 1 . . . . A 536 LEU CD1 . 34151 1 288 . 1 1 37 37 LEU N N 15 122.794 0.033 . 1 . . . . A 536 LEU N . 34151 1 289 . 1 1 38 38 ARG H H 1 8.341 0.008 . 1 . . . . A 537 ARG H . 34151 1 290 . 1 1 38 38 ARG HA H 1 3.72 0.017 . 1 . . . . A 537 ARG HA . 34151 1 291 . 1 1 38 38 ARG HB2 H 1 1.606 0.016 . 2 . . . . A 537 ARG HB2 . 34151 1 292 . 1 1 38 38 ARG HB3 H 1 1.702 0.011 . 2 . . . . A 537 ARG HB3 . 34151 1 293 . 1 1 38 38 ARG HG2 H 1 1.081 0.02 . 2 . . . . A 537 ARG HG2 . 34151 1 294 . 1 1 38 38 ARG HG3 H 1 1.126 0.013 . 2 . . . . A 537 ARG HG3 . 34151 1 295 . 1 1 38 38 ARG HD2 H 1 2.832 0.005 . 2 . . . . A 537 ARG HD2 . 34151 1 296 . 1 1 38 38 ARG HD3 H 1 2.962 0.016 . 2 . . . . A 537 ARG HD3 . 34151 1 297 . 1 1 38 38 ARG C C 13 178.026 0.018 . 1 . . . . A 537 ARG C . 34151 1 298 . 1 1 38 38 ARG CA C 13 59.181 0.069 . 1 . . . . A 537 ARG CA . 34151 1 299 . 1 1 38 38 ARG CB C 13 29.117 0.08 . 1 . . . . A 537 ARG CB . 34151 1 300 . 1 1 38 38 ARG CG C 13 26.668 0.039 . 1 . . . . A 537 ARG CG . 34151 1 301 . 1 1 38 38 ARG CD C 13 42.909 0.067 . 1 . . . . A 537 ARG CD . 34151 1 302 . 1 1 38 38 ARG N N 15 121.689 0.057 . 1 . . . . A 537 ARG N . 34151 1 303 . 1 1 39 39 ASP H H 1 7.774 0.01 . 1 . . . . A 538 ASP H . 34151 1 304 . 1 1 39 39 ASP HA H 1 4.688 0.013 . 1 . . . . A 538 ASP HA . 34151 1 305 . 1 1 39 39 ASP HB2 H 1 2.844 0.011 . 2 . . . . A 538 ASP HB2 . 34151 1 306 . 1 1 39 39 ASP HB3 H 1 2.575 0.013 . 2 . . . . A 538 ASP HB3 . 34151 1 307 . 1 1 39 39 ASP C C 13 174.94 0.008 . 1 . . . . A 538 ASP C . 34151 1 308 . 1 1 39 39 ASP CA C 13 54.398 0.101 . 1 . . . . A 538 ASP CA . 34151 1 309 . 1 1 39 39 ASP CB C 13 40.889 0.052 . 1 . . . . A 538 ASP CB . 34151 1 310 . 1 1 39 39 ASP N N 15 117.663 0.065 . 1 . . . . A 538 ASP N . 34151 1 311 . 1 1 40 40 LYS H H 1 8.099 0.009 . 1 . . . . A 539 LYS H . 34151 1 312 . 1 1 40 40 LYS HA H 1 4.127 0.019 . 1 . . . . A 539 LYS HA . 34151 1 313 . 1 1 40 40 LYS HB2 H 1 2.144 0.019 . 2 . . . . A 539 LYS HB2 . 34151 1 314 . 1 1 40 40 LYS HB3 H 1 2.056 0.023 . 2 . . . . A 539 LYS HB3 . 34151 1 315 . 1 1 40 40 LYS HG2 H 1 1.41 0.015 . 1 . . . . A 539 LYS HG2 . 34151 1 316 . 1 1 40 40 LYS HD2 H 1 1.756 0.007 . 1 . . . . A 539 LYS HD2 . 34151 1 317 . 1 1 40 40 LYS HE2 H 1 3.049 0.006 . 1 . . . . A 539 LYS HE2 . 34151 1 318 . 1 1 40 40 LYS C C 13 176.528 0.022 . 1 . . . . A 539 LYS C . 34151 1 319 . 1 1 40 40 LYS CA C 13 57.629 0.035 . 1 . . . . A 539 LYS CA . 34151 1 320 . 1 1 40 40 LYS CB C 13 28.499 0.067 . 1 . . . . A 539 LYS CB . 34151 1 321 . 1 1 40 40 LYS CG C 13 25.212 0.014 . 1 . . . . A 539 LYS CG . 34151 1 322 . 1 1 40 40 LYS CD C 13 29.195 0.016 . 1 . . . . A 539 LYS CD . 34151 1 323 . 1 1 40 40 LYS CE C 13 42.284 0.052 . 1 . . . . A 539 LYS CE . 34151 1 324 . 1 1 40 40 LYS N N 15 114.023 0.039 . 1 . . . . A 539 LYS N . 34151 1 325 . 1 1 41 41 LYS H H 1 8.565 0.009 . 1 . . . . A 540 LYS H . 34151 1 326 . 1 1 41 41 LYS HA H 1 4.364 0.013 . 1 . . . . A 540 LYS HA . 34151 1 327 . 1 1 41 41 LYS HB2 H 1 1.606 0.015 . 2 . . . . A 540 LYS HB2 . 34151 1 328 . 1 1 41 41 LYS HB3 H 1 2.064 0.016 . 2 . . . . A 540 LYS HB3 . 34151 1 329 . 1 1 41 41 LYS HG2 H 1 1.374 0.015 . 2 . . . . A 540 LYS HG2 . 34151 1 330 . 1 1 41 41 LYS HG3 H 1 1.499 0.015 . 2 . . . . A 540 LYS HG3 . 34151 1 331 . 1 1 41 41 LYS HD2 H 1 1.686 0.017 . 1 . . . . A 540 LYS HD2 . 34151 1 332 . 1 1 41 41 LYS HE2 H 1 3 0.012 . 1 . . . . A 540 LYS HE2 . 34151 1 333 . 1 1 41 41 LYS C C 13 175.748 0.019 . 1 . . . . A 540 LYS C . 34151 1 334 . 1 1 41 41 LYS CA C 13 55.976 0.094 . 1 . . . . A 540 LYS CA . 34151 1 335 . 1 1 41 41 LYS CB C 13 33.404 0.032 . 1 . . . . A 540 LYS CB . 34151 1 336 . 1 1 41 41 LYS CG C 13 25.212 0.03 . 1 . . . . A 540 LYS CG . 34151 1 337 . 1 1 41 41 LYS CD C 13 28.96 0.025 . 1 . . . . A 540 LYS CD . 34151 1 338 . 1 1 41 41 LYS CE C 13 42.16 0.049 . 1 . . . . A 540 LYS CE . 34151 1 339 . 1 1 41 41 LYS N N 15 116.722 0.032 . 1 . . . . A 540 LYS N . 34151 1 340 . 1 1 42 42 MET H H 1 7.334 0.008 . 1 . . . . A 541 MET H . 34151 1 341 . 1 1 42 42 MET HA H 1 4.674 0.014 . 1 . . . . A 541 MET HA . 34151 1 342 . 1 1 42 42 MET HB2 H 1 2.082 0.018 . 2 . . . . A 541 MET HB2 . 34151 1 343 . 1 1 42 42 MET HB3 H 1 1.754 0.012 . 2 . . . . A 541 MET HB3 . 34151 1 344 . 1 1 42 42 MET HG2 H 1 2.527 0.009 . 1 . . . . A 541 MET HG2 . 34151 1 345 . 1 1 42 42 MET HE1 H 1 2.087 0.01 . 1 . . . . A 541 MET HE1 . 34151 1 346 . 1 1 42 42 MET HE2 H 1 2.087 0.01 . 1 . . . . A 541 MET HE2 . 34151 1 347 . 1 1 42 42 MET HE3 H 1 2.087 0.01 . 1 . . . . A 541 MET HE3 . 34151 1 348 . 1 1 42 42 MET C C 13 174.505 0.008 . 1 . . . . A 541 MET C . 34151 1 349 . 1 1 42 42 MET CA C 13 54.249 0.021 . 1 . . . . A 541 MET CA . 34151 1 350 . 1 1 42 42 MET CB C 13 37.323 0.033 . 1 . . . . A 541 MET CB . 34151 1 351 . 1 1 42 42 MET CG C 13 30.449 0.047 . 1 . . . . A 541 MET CG . 34151 1 352 . 1 1 42 42 MET CE C 13 16.597 0.022 . 1 . . . . A 541 MET CE . 34151 1 353 . 1 1 42 42 MET N N 15 117.121 0.08 . 1 . . . . A 541 MET N . 34151 1 354 . 1 1 43 43 THR H H 1 8.737 0.013 . 1 . . . . A 542 THR H . 34151 1 355 . 1 1 43 43 THR HA H 1 4.493 0.019 . 1 . . . . A 542 THR HA . 34151 1 356 . 1 1 43 43 THR HB H 1 4.764 0.008 . 1 . . . . A 542 THR HB . 34151 1 357 . 1 1 43 43 THR HG21 H 1 1.345 0.015 . 1 . . . . A 542 THR HG21 . 34151 1 358 . 1 1 43 43 THR HG22 H 1 1.345 0.015 . 1 . . . . A 542 THR HG22 . 34151 1 359 . 1 1 43 43 THR HG23 H 1 1.345 0.015 . 1 . . . . A 542 THR HG23 . 34151 1 360 . 1 1 43 43 THR C C 13 175.637 0.033 . 1 . . . . A 542 THR C . 34151 1 361 . 1 1 43 43 THR CA C 13 60.833 0.039 . 1 . . . . A 542 THR CA . 34151 1 362 . 1 1 43 43 THR CB C 13 71.269 0.023 . 1 . . . . A 542 THR CB . 34151 1 363 . 1 1 43 43 THR CG2 C 13 21.903 0.009 . 1 . . . . A 542 THR CG2 . 34151 1 364 . 1 1 43 43 THR N N 15 113.465 0.024 . 1 . . . . A 542 THR N . 34151 1 365 . 1 1 44 44 ARG H H 1 9.073 0.012 . 1 . . . . A 543 ARG H . 34151 1 366 . 1 1 44 44 ARG HA H 1 4.079 0.006 . 1 . . . . A 543 ARG HA . 34151 1 367 . 1 1 44 44 ARG HB2 H 1 2.154 0.008 . 2 . . . . A 543 ARG HB2 . 34151 1 368 . 1 1 44 44 ARG HB3 H 1 1.968 0.022 . 2 . . . . A 543 ARG HB3 . 34151 1 369 . 1 1 44 44 ARG HD2 H 1 3.181 0.001 . 1 . . . . A 543 ARG HD2 . 34151 1 370 . 1 1 44 44 ARG C C 13 177.833 0.002 . 1 . . . . A 543 ARG C . 34151 1 371 . 1 1 44 44 ARG CA C 13 60.564 0.023 . 1 . . . . A 543 ARG CA . 34151 1 372 . 1 1 44 44 ARG CB C 13 29.919 0.075 . 1 . . . . A 543 ARG CB . 34151 1 373 . 1 1 44 44 ARG CD C 13 43.498 0.002 . 1 . . . . A 543 ARG CD . 34151 1 374 . 1 1 44 44 ARG N N 15 122.366 0.042 . 1 . . . . A 543 ARG N . 34151 1 375 . 1 1 45 45 ALA H H 1 8.512 0.01 . 1 . . . . A 544 ALA H . 34151 1 376 . 1 1 45 45 ALA HA H 1 4.142 0.014 . 1 . . . . A 544 ALA HA . 34151 1 377 . 1 1 45 45 ALA HB1 H 1 1.46 0.015 . 1 . . . . A 544 ALA HB1 . 34151 1 378 . 1 1 45 45 ALA HB2 H 1 1.46 0.015 . 1 . . . . A 544 ALA HB2 . 34151 1 379 . 1 1 45 45 ALA HB3 H 1 1.46 0.015 . 1 . . . . A 544 ALA HB3 . 34151 1 380 . 1 1 45 45 ALA C C 13 177.911 0.056 . 1 . . . . A 544 ALA C . 34151 1 381 . 1 1 45 45 ALA CA C 13 55.262 0.049 . 1 . . . . A 544 ALA CA . 34151 1 382 . 1 1 45 45 ALA CB C 13 18.297 0.046 . 1 . . . . A 544 ALA CB . 34151 1 383 . 1 1 45 45 ALA N N 15 119.439 0.033 . 1 . . . . A 544 ALA N . 34151 1 384 . 1 1 46 46 GLU H H 1 7.805 0.012 . 1 . . . . A 545 GLU H . 34151 1 385 . 1 1 46 46 GLU HA H 1 4.025 0.019 . 1 . . . . A 545 GLU HA . 34151 1 386 . 1 1 46 46 GLU HB2 H 1 2.489 0.017 . 2 . . . . A 545 GLU HB2 . 34151 1 387 . 1 1 46 46 GLU HB3 H 1 1.906 0.021 . 2 . . . . A 545 GLU HB3 . 34151 1 388 . 1 1 46 46 GLU C C 13 178.235 0.022 . 1 . . . . A 545 GLU C . 34151 1 389 . 1 1 46 46 GLU CA C 13 58.687 0.048 . 1 . . . . A 545 GLU CA . 34151 1 390 . 1 1 46 46 GLU CB C 13 31.144 0.045 . 1 . . . . A 545 GLU CB . 34151 1 391 . 1 1 46 46 GLU N N 15 119.336 0.093 . 1 . . . . A 545 GLU N . 34151 1 392 . 1 1 47 47 PHE H H 1 8.474 0.009 . 1 . . . . A 546 PHE H . 34151 1 393 . 1 1 47 47 PHE HA H 1 4.139 0.029 . 1 . . . . A 546 PHE HA . 34151 1 394 . 1 1 47 47 PHE HB2 H 1 3.181 0.013 . 1 . . . . A 546 PHE HB2 . 34151 1 395 . 1 1 47 47 PHE HD1 H 1 7.01 0.006 . 1 . . . . A 546 PHE HD1 . 34151 1 396 . 1 1 47 47 PHE HD2 H 1 7.01 0.006 . 1 . . . . A 546 PHE HD2 . 34151 1 397 . 1 1 47 47 PHE C C 13 176.65 0.047 . 1 . . . . A 546 PHE C . 34151 1 398 . 1 1 47 47 PHE CA C 13 62.516 0.065 . 1 . . . . A 546 PHE CA . 34151 1 399 . 1 1 47 47 PHE CB C 13 39.771 0.064 . 1 . . . . A 546 PHE CB . 34151 1 400 . 1 1 47 47 PHE N N 15 120.901 0.039 . 1 . . . . A 546 PHE N . 34151 1 401 . 1 1 48 48 VAL H H 1 8.739 0.012 . 1 . . . . A 547 VAL H . 34151 1 402 . 1 1 48 48 VAL HA H 1 3.207 0.019 . 1 . . . . A 547 VAL HA . 34151 1 403 . 1 1 48 48 VAL HB H 1 2.141 0.021 . 1 . . . . A 547 VAL HB . 34151 1 404 . 1 1 48 48 VAL HG11 H 1 0.881 0.011 . 2 . . . . A 547 VAL HG11 . 34151 1 405 . 1 1 48 48 VAL HG12 H 1 0.881 0.011 . 2 . . . . A 547 VAL HG12 . 34151 1 406 . 1 1 48 48 VAL HG13 H 1 0.881 0.011 . 2 . . . . A 547 VAL HG13 . 34151 1 407 . 1 1 48 48 VAL HG21 H 1 1.231 0.001 . 2 . . . . A 547 VAL HG21 . 34151 1 408 . 1 1 48 48 VAL HG22 H 1 1.231 0.001 . 2 . . . . A 547 VAL HG22 . 34151 1 409 . 1 1 48 48 VAL HG23 H 1 1.231 0.001 . 2 . . . . A 547 VAL HG23 . 34151 1 410 . 1 1 48 48 VAL C C 13 177.34 0.017 . 1 . . . . A 547 VAL C . 34151 1 411 . 1 1 48 48 VAL CA C 13 67.186 0.055 . 1 . . . . A 547 VAL CA . 34151 1 412 . 1 1 48 48 VAL CB C 13 31.462 0.035 . 1 . . . . A 547 VAL CB . 34151 1 413 . 1 1 48 48 VAL CG1 C 13 21.758 0.014 . 2 . . . . A 547 VAL CG1 . 34151 1 414 . 1 1 48 48 VAL CG2 C 13 23.534 0.01 . 2 . . . . A 547 VAL CG2 . 34151 1 415 . 1 1 48 48 VAL N N 15 118.622 0.035 . 1 . . . . A 547 VAL N . 34151 1 416 . 1 1 49 49 ARG H H 1 7.679 0.009 . 1 . . . . A 548 ARG H . 34151 1 417 . 1 1 49 49 ARG HA H 1 3.815 0.01 . 1 . . . . A 548 ARG HA . 34151 1 418 . 1 1 49 49 ARG HB2 H 1 1.921 0.012 . 1 . . . . A 548 ARG HB2 . 34151 1 419 . 1 1 49 49 ARG HG2 H 1 1.555 0.015 . 2 . . . . A 548 ARG HG2 . 34151 1 420 . 1 1 49 49 ARG HG3 H 1 1.73 0.017 . 2 . . . . A 548 ARG HG3 . 34151 1 421 . 1 1 49 49 ARG HD2 H 1 3.191 0.008 . 1 . . . . A 548 ARG HD2 . 34151 1 422 . 1 1 49 49 ARG C C 13 179.053 0.013 . 1 . . . . A 548 ARG C . 34151 1 423 . 1 1 49 49 ARG CA C 13 60.138 0.076 . 1 . . . . A 548 ARG CA . 34151 1 424 . 1 1 49 49 ARG CB C 13 29.889 0.025 . 1 . . . . A 548 ARG CB . 34151 1 425 . 1 1 49 49 ARG CG C 13 27.502 0.062 . 1 . . . . A 548 ARG CG . 34151 1 426 . 1 1 49 49 ARG CD C 13 43.421 0.039 . 1 . . . . A 548 ARG CD . 34151 1 427 . 1 1 49 49 ARG N N 15 119.211 0.027 . 1 . . . . A 548 ARG N . 34151 1 428 . 1 1 50 50 LYS H H 1 7.802 0.006 . 1 . . . . A 549 LYS H . 34151 1 429 . 1 1 50 50 LYS HA H 1 3.778 0.008 . 1 . . . . A 549 LYS HA . 34151 1 430 . 1 1 50 50 LYS HB2 H 1 1.742 0.016 . 2 . . . . A 549 LYS HB2 . 34151 1 431 . 1 1 50 50 LYS HB3 H 1 2.153 0.009 . 2 . . . . A 549 LYS HB3 . 34151 1 432 . 1 1 50 50 LYS HG2 H 1 1.369 0.005 . 2 . . . . A 549 LYS HG2 . 34151 1 433 . 1 1 50 50 LYS HG3 H 1 1.64 0.016 . 2 . . . . A 549 LYS HG3 . 34151 1 434 . 1 1 50 50 LYS HD2 H 1 1.672 0.02 . 2 . . . . A 549 LYS HD2 . 34151 1 435 . 1 1 50 50 LYS HD3 H 1 1.511 0.006 . 2 . . . . A 549 LYS HD3 . 34151 1 436 . 1 1 50 50 LYS HE2 H 1 2.935 0.016 . 1 . . . . A 549 LYS HE2 . 34151 1 437 . 1 1 50 50 LYS C C 13 178.725 0.015 . 1 . . . . A 549 LYS C . 34151 1 438 . 1 1 50 50 LYS CA C 13 59.42 0.041 . 1 . . . . A 549 LYS CA . 34151 1 439 . 1 1 50 50 LYS CB C 13 31.872 0.127 . 1 . . . . A 549 LYS CB . 34151 1 440 . 1 1 50 50 LYS CG C 13 25.285 0.066 . 1 . . . . A 549 LYS CG . 34151 1 441 . 1 1 50 50 LYS CD C 13 28.153 0.09 . 1 . . . . A 549 LYS CD . 34151 1 442 . 1 1 50 50 LYS CE C 13 41.668 0.049 . 1 . . . . A 549 LYS CE . 34151 1 443 . 1 1 50 50 LYS N N 15 119.127 0.102 . 1 . . . . A 549 LYS N . 34151 1 444 . 1 1 51 51 LEU H H 1 8.377 0.009 . 1 . . . . A 550 LEU H . 34151 1 445 . 1 1 51 51 LEU HA H 1 3.709 0.011 . 1 . . . . A 550 LEU HA . 34151 1 446 . 1 1 51 51 LEU HB2 H 1 1.634 0.019 . 2 . . . . A 550 LEU HB2 . 34151 1 447 . 1 1 51 51 LEU HB3 H 1 0.974 0.015 . 2 . . . . A 550 LEU HB3 . 34151 1 448 . 1 1 51 51 LEU HG H 1 1.35 0.02 . 1 . . . . A 550 LEU HG . 34151 1 449 . 1 1 51 51 LEU HD11 H 1 0.771 0.018 . 1 . . . . A 550 LEU HD11 . 34151 1 450 . 1 1 51 51 LEU HD12 H 1 0.771 0.018 . 1 . . . . A 550 LEU HD12 . 34151 1 451 . 1 1 51 51 LEU HD13 H 1 0.771 0.018 . 1 . . . . A 550 LEU HD13 . 34151 1 452 . 1 1 51 51 LEU C C 13 178.791 0.017 . 1 . . . . A 550 LEU C . 34151 1 453 . 1 1 51 51 LEU CA C 13 57.865 0.044 . 1 . . . . A 550 LEU CA . 34151 1 454 . 1 1 51 51 LEU CB C 13 42.159 0.045 . 1 . . . . A 550 LEU CB . 34151 1 455 . 1 1 51 51 LEU CG C 13 26.404 0.009 . 1 . . . . A 550 LEU CG . 34151 1 456 . 1 1 51 51 LEU CD1 C 13 24.749 0.08 . 1 . . . . A 550 LEU CD1 . 34151 1 457 . 1 1 51 51 LEU N N 15 121.55 0.043 . 1 . . . . A 550 LEU N . 34151 1 458 . 1 1 52 52 ARG H H 1 8.169 0.014 . 1 . . . . A 551 ARG H . 34151 1 459 . 1 1 52 52 ARG HA H 1 3.598 0.014 . 1 . . . . A 551 ARG HA . 34151 1 460 . 1 1 52 52 ARG HB2 H 1 1.834 0.014 . 2 . . . . A 551 ARG HB2 . 34151 1 461 . 1 1 52 52 ARG HB3 H 1 2.17 0.016 . 2 . . . . A 551 ARG HB3 . 34151 1 462 . 1 1 52 52 ARG HG2 H 1 1.43 0.009 . 2 . . . . A 551 ARG HG2 . 34151 1 463 . 1 1 52 52 ARG HG3 H 1 1.918 0.003 . 2 . . . . A 551 ARG HG3 . 34151 1 464 . 1 1 52 52 ARG HD2 H 1 2.912 0.014 . 2 . . . . A 551 ARG HD2 . 34151 1 465 . 1 1 52 52 ARG HD3 H 1 2.926 0.016 . 2 . . . . A 551 ARG HD3 . 34151 1 466 . 1 1 52 52 ARG C C 13 179.471 0.02 . 1 . . . . A 551 ARG C . 34151 1 467 . 1 1 52 52 ARG CA C 13 60.27 0.047 . 1 . . . . A 551 ARG CA . 34151 1 468 . 1 1 52 52 ARG CB C 13 31.064 0.068 . 1 . . . . A 551 ARG CB . 34151 1 469 . 1 1 52 52 ARG CG C 13 26.918 0.042 . 1 . . . . A 551 ARG CG . 34151 1 470 . 1 1 52 52 ARG CD C 13 44.679 0.053 . 1 . . . . A 551 ARG CD . 34151 1 471 . 1 1 52 52 ARG N N 15 117.023 0.047 . 1 . . . . A 551 ARG N . 34151 1 472 . 1 1 53 53 VAL H H 1 7.519 0.011 . 1 . . . . A 552 VAL H . 34151 1 473 . 1 1 53 53 VAL HA H 1 3.632 0.014 . 1 . . . . A 552 VAL HA . 34151 1 474 . 1 1 53 53 VAL HB H 1 2.158 0.015 . 1 . . . . A 552 VAL HB . 34151 1 475 . 1 1 53 53 VAL HG11 H 1 0.893 0.009 . 2 . . . . A 552 VAL HG11 . 34151 1 476 . 1 1 53 53 VAL HG12 H 1 0.893 0.009 . 2 . . . . A 552 VAL HG12 . 34151 1 477 . 1 1 53 53 VAL HG13 H 1 0.893 0.009 . 2 . . . . A 552 VAL HG13 . 34151 1 478 . 1 1 53 53 VAL HG21 H 1 1.059 0.011 . 2 . . . . A 552 VAL HG21 . 34151 1 479 . 1 1 53 53 VAL HG22 H 1 1.059 0.011 . 2 . . . . A 552 VAL HG22 . 34151 1 480 . 1 1 53 53 VAL HG23 H 1 1.059 0.011 . 2 . . . . A 552 VAL HG23 . 34151 1 481 . 1 1 53 53 VAL C C 13 178.031 0.009 . 1 . . . . A 552 VAL C . 34151 1 482 . 1 1 53 53 VAL CA C 13 66.094 0.038 . 1 . . . . A 552 VAL CA . 34151 1 483 . 1 1 53 53 VAL CB C 13 31.697 0.101 . 1 . . . . A 552 VAL CB . 34151 1 484 . 1 1 53 53 VAL CG1 C 13 21.236 0.012 . 2 . . . . A 552 VAL CG1 . 34151 1 485 . 1 1 53 53 VAL CG2 C 13 22.818 0.021 . 2 . . . . A 552 VAL CG2 . 34151 1 486 . 1 1 53 53 VAL N N 15 119.144 0.028 . 1 . . . . A 552 VAL N . 34151 1 487 . 1 1 54 54 ILE H H 1 7.802 0.011 . 1 . . . . A 553 ILE H . 34151 1 488 . 1 1 54 54 ILE HA H 1 3.699 0.014 . 1 . . . . A 553 ILE HA . 34151 1 489 . 1 1 54 54 ILE HB H 1 1.599 0.017 . 1 . . . . A 553 ILE HB . 34151 1 490 . 1 1 54 54 ILE HG12 H 1 0.974 0.017 . 1 . . . . A 553 ILE HG12 . 34151 1 491 . 1 1 54 54 ILE HG21 H 1 0.831 0.005 . 1 . . . . A 553 ILE HG21 . 34151 1 492 . 1 1 54 54 ILE HG22 H 1 0.831 0.005 . 1 . . . . A 553 ILE HG22 . 34151 1 493 . 1 1 54 54 ILE HG23 H 1 0.831 0.005 . 1 . . . . A 553 ILE HG23 . 34151 1 494 . 1 1 54 54 ILE HD11 H 1 0.76 0.017 . 1 . . . . A 553 ILE HD11 . 34151 1 495 . 1 1 54 54 ILE HD12 H 1 0.76 0.017 . 1 . . . . A 553 ILE HD12 . 34151 1 496 . 1 1 54 54 ILE HD13 H 1 0.76 0.017 . 1 . . . . A 553 ILE HD13 . 34151 1 497 . 1 1 54 54 ILE C C 13 177.607 0.01 . 1 . . . . A 553 ILE C . 34151 1 498 . 1 1 54 54 ILE CA C 13 64.878 0.026 . 1 . . . . A 553 ILE CA . 34151 1 499 . 1 1 54 54 ILE CB C 13 39.143 0.055 . 1 . . . . A 553 ILE CB . 34151 1 500 . 1 1 54 54 ILE CG1 C 13 29.15 0.009 . 1 . . . . A 553 ILE CG1 . 34151 1 501 . 1 1 54 54 ILE CG2 C 13 17.332 0.037 . 1 . . . . A 553 ILE CG2 . 34151 1 502 . 1 1 54 54 ILE CD1 C 13 13.925 0.016 . 1 . . . . A 553 ILE CD1 . 34151 1 503 . 1 1 54 54 ILE N N 15 118.953 0.064 . 1 . . . . A 553 ILE N . 34151 1 504 . 1 1 55 55 VAL H H 1 8.37 0.01 . 1 . . . . A 554 VAL H . 34151 1 505 . 1 1 55 55 VAL HA H 1 3.895 0.015 . 1 . . . . A 554 VAL HA . 34151 1 506 . 1 1 55 55 VAL HB H 1 2.06 0.015 . 1 . . . . A 554 VAL HB . 34151 1 507 . 1 1 55 55 VAL HG11 H 1 0.954 0.009 . 2 . . . . A 554 VAL HG11 . 34151 1 508 . 1 1 55 55 VAL HG12 H 1 0.954 0.009 . 2 . . . . A 554 VAL HG12 . 34151 1 509 . 1 1 55 55 VAL HG13 H 1 0.954 0.009 . 2 . . . . A 554 VAL HG13 . 34151 1 510 . 1 1 55 55 VAL HG21 H 1 0.795 0.011 . 2 . . . . A 554 VAL HG21 . 34151 1 511 . 1 1 55 55 VAL HG22 H 1 0.795 0.011 . 2 . . . . A 554 VAL HG22 . 34151 1 512 . 1 1 55 55 VAL HG23 H 1 0.795 0.011 . 2 . . . . A 554 VAL HG23 . 34151 1 513 . 1 1 55 55 VAL C C 13 176.563 0.004 . 1 . . . . A 554 VAL C . 34151 1 514 . 1 1 55 55 VAL CA C 13 64.151 0.051 . 1 . . . . A 554 VAL CA . 34151 1 515 . 1 1 55 55 VAL CB C 13 32.923 0.044 . 1 . . . . A 554 VAL CB . 34151 1 516 . 1 1 55 55 VAL CG1 C 13 23.062 0.027 . 1 . . . . A 554 VAL CG1 . 34151 1 517 . 1 1 55 55 VAL N N 15 114.738 0.026 . 1 . . . . A 554 VAL N . 34151 1 518 . 1 1 56 56 GLY H H 1 7.5 0.01 . 1 . . . . A 555 GLY H . 34151 1 519 . 1 1 56 56 GLY HA2 H 1 4.492 0.016 . 2 . . . . A 555 GLY HA2 . 34151 1 520 . 1 1 56 56 GLY HA3 H 1 3.849 0.017 . 2 . . . . A 555 GLY HA3 . 34151 1 521 . 1 1 56 56 GLY CA C 13 44.275 0.053 . 1 . . . . A 555 GLY CA . 34151 1 522 . 1 1 56 56 GLY N N 15 108.91 0.04 . 1 . . . . A 555 GLY N . 34151 1 523 . 1 1 57 57 ASP H H 1 8.288 0.01 . 1 . . . . A 556 ASP H . 34151 1 524 . 1 1 57 57 ASP HA H 1 4.242 0.01 . 1 . . . . A 556 ASP HA . 34151 1 525 . 1 1 57 57 ASP HB2 H 1 2.596 0.016 . 2 . . . . A 556 ASP HB2 . 34151 1 526 . 1 1 57 57 ASP HB3 H 1 2.628 0.013 . 2 . . . . A 556 ASP HB3 . 34151 1 527 . 1 1 57 57 ASP C C 13 178.249 0.031 . 1 . . . . A 556 ASP C . 34151 1 528 . 1 1 57 57 ASP CA C 13 57.847 0.042 . 1 . . . . A 556 ASP CA . 34151 1 529 . 1 1 57 57 ASP CB C 13 40.578 0.057 . 1 . . . . A 556 ASP CB . 34151 1 530 . 1 1 57 57 ASP N N 15 122.982 0.053 . 1 . . . . A 556 ASP N . 34151 1 531 . 1 1 58 58 ASP H H 1 8.419 0.012 . 1 . . . . A 557 ASP H . 34151 1 532 . 1 1 58 58 ASP HA H 1 4.343 0.018 . 1 . . . . A 557 ASP HA . 34151 1 533 . 1 1 58 58 ASP HB2 H 1 2.638 0.014 . 1 . . . . A 557 ASP HB2 . 34151 1 534 . 1 1 58 58 ASP C C 13 178.877 0.007 . 1 . . . . A 557 ASP C . 34151 1 535 . 1 1 58 58 ASP CA C 13 57.762 0.02 . 1 . . . . A 557 ASP CA . 34151 1 536 . 1 1 58 58 ASP CB C 13 40.339 0.019 . 1 . . . . A 557 ASP CB . 34151 1 537 . 1 1 58 58 ASP N N 15 118.345 0.042 . 1 . . . . A 557 ASP N . 34151 1 538 . 1 1 59 59 LEU H H 1 8.428 0.009 . 1 . . . . A 558 LEU H . 34151 1 539 . 1 1 59 59 LEU HA H 1 4.301 0.019 . 1 . . . . A 558 LEU HA . 34151 1 540 . 1 1 59 59 LEU HB2 H 1 1.643 0.012 . 2 . . . . A 558 LEU HB2 . 34151 1 541 . 1 1 59 59 LEU HB3 H 1 1.672 0.012 . 2 . . . . A 558 LEU HB3 . 34151 1 542 . 1 1 59 59 LEU HG H 1 1.373 0.01 . 1 . . . . A 558 LEU HG . 34151 1 543 . 1 1 59 59 LEU HD11 H 1 0.952 0.008 . 2 . . . . A 558 LEU HD11 . 34151 1 544 . 1 1 59 59 LEU HD12 H 1 0.952 0.008 . 2 . . . . A 558 LEU HD12 . 34151 1 545 . 1 1 59 59 LEU HD13 H 1 0.952 0.008 . 2 . . . . A 558 LEU HD13 . 34151 1 546 . 1 1 59 59 LEU HD21 H 1 0.93 0.006 . 2 . . . . A 558 LEU HD21 . 34151 1 547 . 1 1 59 59 LEU HD22 H 1 0.93 0.006 . 2 . . . . A 558 LEU HD22 . 34151 1 548 . 1 1 59 59 LEU HD23 H 1 0.93 0.006 . 2 . . . . A 558 LEU HD23 . 34151 1 549 . 1 1 59 59 LEU C C 13 180.874 0.021 . 1 . . . . A 558 LEU C . 34151 1 550 . 1 1 59 59 LEU CA C 13 56.249 0.017 . 1 . . . . A 558 LEU CA . 34151 1 551 . 1 1 59 59 LEU CB C 13 40.926 0.038 . 1 . . . . A 558 LEU CB . 34151 1 552 . 1 1 59 59 LEU CG C 13 27.605 0.023 . 1 . . . . A 558 LEU CG . 34151 1 553 . 1 1 59 59 LEU CD1 C 13 23.797 0.03 . 2 . . . . A 558 LEU CD1 . 34151 1 554 . 1 1 59 59 LEU CD2 C 13 25.847 0.009 . 2 . . . . A 558 LEU CD2 . 34151 1 555 . 1 1 59 59 LEU N N 15 121.923 0.049 . 1 . . . . A 558 LEU N . 34151 1 556 . 1 1 60 60 LEU H H 1 8 0.012 . 1 . . . . A 559 LEU H . 34151 1 557 . 1 1 60 60 LEU HA H 1 3.865 0.016 . 1 . . . . A 559 LEU HA . 34151 1 558 . 1 1 60 60 LEU HB2 H 1 1.835 0.011 . 2 . . . . A 559 LEU HB2 . 34151 1 559 . 1 1 60 60 LEU HB3 H 1 1.462 0.011 . 2 . . . . A 559 LEU HB3 . 34151 1 560 . 1 1 60 60 LEU HG H 1 1.679 0.022 . 1 . . . . A 559 LEU HG . 34151 1 561 . 1 1 60 60 LEU HD11 H 1 0.762 0.018 . 2 . . . . A 559 LEU HD11 . 34151 1 562 . 1 1 60 60 LEU HD12 H 1 0.762 0.018 . 2 . . . . A 559 LEU HD12 . 34151 1 563 . 1 1 60 60 LEU HD13 H 1 0.762 0.018 . 2 . . . . A 559 LEU HD13 . 34151 1 564 . 1 1 60 60 LEU HD21 H 1 0.807 0 . 2 . . . . A 559 LEU HD21 . 34151 1 565 . 1 1 60 60 LEU HD22 H 1 0.807 0 . 2 . . . . A 559 LEU HD22 . 34151 1 566 . 1 1 60 60 LEU HD23 H 1 0.807 0 . 2 . . . . A 559 LEU HD23 . 34151 1 567 . 1 1 60 60 LEU C C 13 177.581 0.012 . 1 . . . . A 559 LEU C . 34151 1 568 . 1 1 60 60 LEU CA C 13 58.693 0.03 . 1 . . . . A 559 LEU CA . 34151 1 569 . 1 1 60 60 LEU CB C 13 42.078 0.095 . 1 . . . . A 559 LEU CB . 34151 1 570 . 1 1 60 60 LEU CD1 C 13 24.501 0.008 . 2 . . . . A 559 LEU CD1 . 34151 1 571 . 1 1 60 60 LEU CD2 C 13 25.578 0 . 2 . . . . A 559 LEU CD2 . 34151 1 572 . 1 1 60 60 LEU N N 15 122.219 0.034 . 1 . . . . A 559 LEU N . 34151 1 573 . 1 1 61 61 ARG H H 1 8.762 0.008 . 1 . . . . A 560 ARG H . 34151 1 574 . 1 1 61 61 ARG HA H 1 3.626 0.015 . 1 . . . . A 560 ARG HA . 34151 1 575 . 1 1 61 61 ARG HB2 H 1 1.958 0.011 . 1 . . . . A 560 ARG HB2 . 34151 1 576 . 1 1 61 61 ARG HG2 H 1 1.526 0.016 . 1 . . . . A 560 ARG HG2 . 34151 1 577 . 1 1 61 61 ARG HD2 H 1 3.217 0.007 . 2 . . . . A 560 ARG HD2 . 34151 1 578 . 1 1 61 61 ARG HD3 H 1 3.269 0.018 . 2 . . . . A 560 ARG HD3 . 34151 1 579 . 1 1 61 61 ARG C C 13 179.286 0.012 . 1 . . . . A 560 ARG C . 34151 1 580 . 1 1 61 61 ARG CA C 13 60.538 0.037 . 1 . . . . A 560 ARG CA . 34151 1 581 . 1 1 61 61 ARG CB C 13 30.416 0.06 . 1 . . . . A 560 ARG CB . 34151 1 582 . 1 1 61 61 ARG CG C 13 28.081 0.058 . 1 . . . . A 560 ARG CG . 34151 1 583 . 1 1 61 61 ARG CD C 13 43.28 0.02 . 1 . . . . A 560 ARG CD . 34151 1 584 . 1 1 61 61 ARG N N 15 119 0.054 . 1 . . . . A 560 ARG N . 34151 1 585 . 1 1 62 62 SER H H 1 8.462 0.014 . 1 . . . . A 561 SER H . 34151 1 586 . 1 1 62 62 SER HA H 1 4.183 0.015 . 1 . . . . A 561 SER HA . 34151 1 587 . 1 1 62 62 SER HB2 H 1 3.982 0.008 . 1 . . . . A 561 SER HB2 . 34151 1 588 . 1 1 62 62 SER C C 13 177.127 0.005 . 1 . . . . A 561 SER C . 34151 1 589 . 1 1 62 62 SER CA C 13 61.393 0.113 . 1 . . . . A 561 SER CA . 34151 1 590 . 1 1 62 62 SER CB C 13 62.68 0.063 . 1 . . . . A 561 SER CB . 34151 1 591 . 1 1 62 62 SER N N 15 114.865 0.043 . 1 . . . . A 561 SER N . 34151 1 592 . 1 1 63 63 THR H H 1 8.155 0.011 . 1 . . . . A 562 THR H . 34151 1 593 . 1 1 63 63 THR HA H 1 3.943 0.011 . 1 . . . . A 562 THR HA . 34151 1 594 . 1 1 63 63 THR HB H 1 4.154 0.009 . 1 . . . . A 562 THR HB . 34151 1 595 . 1 1 63 63 THR HG21 H 1 1.178 0.01 . 1 . . . . A 562 THR HG21 . 34151 1 596 . 1 1 63 63 THR HG22 H 1 1.178 0.01 . 1 . . . . A 562 THR HG22 . 34151 1 597 . 1 1 63 63 THR HG23 H 1 1.178 0.01 . 1 . . . . A 562 THR HG23 . 34151 1 598 . 1 1 63 63 THR C C 13 176.202 0.005 . 1 . . . . A 562 THR C . 34151 1 599 . 1 1 63 63 THR CA C 13 67.367 0.066 . 1 . . . . A 562 THR CA . 34151 1 600 . 1 1 63 63 THR CB C 13 68.322 0.104 . 1 . . . . A 562 THR CB . 34151 1 601 . 1 1 63 63 THR CG2 C 13 21.882 0.047 . 1 . . . . A 562 THR CG2 . 34151 1 602 . 1 1 63 63 THR N N 15 119.14 0.03 . 1 . . . . A 562 THR N . 34151 1 603 . 1 1 64 64 ILE H H 1 8.406 0.01 . 1 . . . . A 563 ILE H . 34151 1 604 . 1 1 64 64 ILE HA H 1 3.554 0.018 . 1 . . . . A 563 ILE HA . 34151 1 605 . 1 1 64 64 ILE HB H 1 1.914 0.021 . 1 . . . . A 563 ILE HB . 34151 1 606 . 1 1 64 64 ILE HG12 H 1 1.06 0.008 . 2 . . . . A 563 ILE HG12 . 34151 1 607 . 1 1 64 64 ILE HG13 H 1 1.797 0.012 . 2 . . . . A 563 ILE HG13 . 34151 1 608 . 1 1 64 64 ILE HG21 H 1 0.876 0.021 . 1 . . . . A 563 ILE HG21 . 34151 1 609 . 1 1 64 64 ILE HG22 H 1 0.876 0.021 . 1 . . . . A 563 ILE HG22 . 34151 1 610 . 1 1 64 64 ILE HG23 H 1 0.876 0.021 . 1 . . . . A 563 ILE HG23 . 34151 1 611 . 1 1 64 64 ILE HD11 H 1 0.799 0.011 . 1 . . . . A 563 ILE HD11 . 34151 1 612 . 1 1 64 64 ILE HD12 H 1 0.799 0.011 . 1 . . . . A 563 ILE HD12 . 34151 1 613 . 1 1 64 64 ILE HD13 H 1 0.799 0.011 . 1 . . . . A 563 ILE HD13 . 34151 1 614 . 1 1 64 64 ILE C C 13 177.226 0.006 . 1 . . . . A 563 ILE C . 34151 1 615 . 1 1 64 64 ILE CA C 13 66.047 0.028 . 1 . . . . A 563 ILE CA . 34151 1 616 . 1 1 64 64 ILE CB C 13 37.604 0.067 . 1 . . . . A 563 ILE CB . 34151 1 617 . 1 1 64 64 ILE CG1 C 13 30.235 0.024 . 1 . . . . A 563 ILE CG1 . 34151 1 618 . 1 1 64 64 ILE CG2 C 13 18.631 0.017 . 1 . . . . A 563 ILE CG2 . 34151 1 619 . 1 1 64 64 ILE CD1 C 13 14.112 0.014 . 1 . . . . A 563 ILE CD1 . 34151 1 620 . 1 1 64 64 ILE N N 15 120.899 0.038 . 1 . . . . A 563 ILE N . 34151 1 621 . 1 1 65 65 THR H H 1 8.075 0.014 . 1 . . . . A 564 THR H . 34151 1 622 . 1 1 65 65 THR HA H 1 3.993 0.011 . 1 . . . . A 564 THR HA . 34151 1 623 . 1 1 65 65 THR HB H 1 4.286 0.008 . 1 . . . . A 564 THR HB . 34151 1 624 . 1 1 65 65 THR HG21 H 1 1.254 0.021 . 1 . . . . A 564 THR HG21 . 34151 1 625 . 1 1 65 65 THR HG22 H 1 1.254 0.021 . 1 . . . . A 564 THR HG22 . 34151 1 626 . 1 1 65 65 THR HG23 H 1 1.254 0.021 . 1 . . . . A 564 THR HG23 . 34151 1 627 . 1 1 65 65 THR C C 13 176.917 0.001 . 1 . . . . A 564 THR C . 34151 1 628 . 1 1 65 65 THR CA C 13 66.79 0.054 . 1 . . . . A 564 THR CA . 34151 1 629 . 1 1 65 65 THR CB C 13 68.49 0.051 . 1 . . . . A 564 THR CB . 34151 1 630 . 1 1 65 65 THR CG2 C 13 21.6 0.084 . 1 . . . . A 564 THR CG2 . 34151 1 631 . 1 1 65 65 THR N N 15 113.939 0.05 . 1 . . . . A 564 THR N . 34151 1 632 . 1 1 66 66 THR H H 1 7.806 0.011 . 1 . . . . A 565 THR H . 34151 1 633 . 1 1 66 66 THR HA H 1 4.067 0.019 . 1 . . . . A 565 THR HA . 34151 1 634 . 1 1 66 66 THR HB H 1 4.369 0.014 . 1 . . . . A 565 THR HB . 34151 1 635 . 1 1 66 66 THR HG21 H 1 1.268 0.018 . 1 . . . . A 565 THR HG21 . 34151 1 636 . 1 1 66 66 THR HG22 H 1 1.268 0.018 . 1 . . . . A 565 THR HG22 . 34151 1 637 . 1 1 66 66 THR HG23 H 1 1.268 0.018 . 1 . . . . A 565 THR HG23 . 34151 1 638 . 1 1 66 66 THR C C 13 176.724 0.007 . 1 . . . . A 565 THR C . 34151 1 639 . 1 1 66 66 THR CA C 13 66.364 0.078 . 1 . . . . A 565 THR CA . 34151 1 640 . 1 1 66 66 THR CB C 13 68.86 0.065 . 1 . . . . A 565 THR CB . 34151 1 641 . 1 1 66 66 THR CG2 C 13 21.69 0.054 . 1 . . . . A 565 THR CG2 . 34151 1 642 . 1 1 66 66 THR N N 15 117.596 0.094 . 1 . . . . A 565 THR N . 34151 1 643 . 1 1 67 67 LEU H H 1 7.964 0.01 . 1 . . . . A 566 LEU H . 34151 1 644 . 1 1 67 67 LEU HA H 1 4.082 0.018 . 1 . . . . A 566 LEU HA . 34151 1 645 . 1 1 67 67 LEU HB2 H 1 1.935 0.015 . 2 . . . . A 566 LEU HB2 . 34151 1 646 . 1 1 67 67 LEU HB3 H 1 1.456 0.007 . 2 . . . . A 566 LEU HB3 . 34151 1 647 . 1 1 67 67 LEU HG H 1 1.86 0.013 . 1 . . . . A 566 LEU HG . 34151 1 648 . 1 1 67 67 LEU HD11 H 1 0.85 0.007 . 1 . . . . A 566 LEU HD11 . 34151 1 649 . 1 1 67 67 LEU HD12 H 1 0.85 0.007 . 1 . . . . A 566 LEU HD12 . 34151 1 650 . 1 1 67 67 LEU HD13 H 1 0.85 0.007 . 1 . . . . A 566 LEU HD13 . 34151 1 651 . 1 1 67 67 LEU C C 13 179.198 0.008 . 1 . . . . A 566 LEU C . 34151 1 652 . 1 1 67 67 LEU CA C 13 57.523 0.044 . 1 . . . . A 566 LEU CA . 34151 1 653 . 1 1 67 67 LEU CB C 13 42.498 0.056 . 1 . . . . A 566 LEU CB . 34151 1 654 . 1 1 67 67 LEU CG C 13 26.843 0.036 . 1 . . . . A 566 LEU CG . 34151 1 655 . 1 1 67 67 LEU CD1 C 13 23.109 0.067 . 1 . . . . A 566 LEU CD1 . 34151 1 656 . 1 1 67 67 LEU N N 15 121.681 0.03 . 1 . . . . A 566 LEU N . 34151 1 657 . 1 1 68 68 GLN H H 1 8.14 0.009 . 1 . . . . A 567 GLN H . 34151 1 658 . 1 1 68 68 GLN HA H 1 4.157 0.021 . 1 . . . . A 567 GLN HA . 34151 1 659 . 1 1 68 68 GLN HB2 H 1 2.073 0.011 . 2 . . . . A 567 GLN HB2 . 34151 1 660 . 1 1 68 68 GLN HB3 H 1 2.123 0.007 . 2 . . . . A 567 GLN HB3 . 34151 1 661 . 1 1 68 68 GLN HG2 H 1 2.228 0.016 . 2 . . . . A 567 GLN HG2 . 34151 1 662 . 1 1 68 68 GLN HG3 H 1 2.44 0.013 . 2 . . . . A 567 GLN HG3 . 34151 1 663 . 1 1 68 68 GLN HE21 H 1 7.552 0.011 . 1 . . . . A 567 GLN HE21 . 34151 1 664 . 1 1 68 68 GLN C C 13 176.462 0.013 . 1 . . . . A 567 GLN C . 34151 1 665 . 1 1 68 68 GLN CA C 13 57.489 0.032 . 1 . . . . A 567 GLN CA . 34151 1 666 . 1 1 68 68 GLN CB C 13 29.746 0.046 . 1 . . . . A 567 GLN CB . 34151 1 667 . 1 1 68 68 GLN CG C 13 34.342 0.029 . 1 . . . . A 567 GLN CG . 34151 1 668 . 1 1 68 68 GLN N N 15 116.939 0.025 . 1 . . . . A 567 GLN N . 34151 1 669 . 1 1 69 69 ASN H H 1 7.693 0.011 . 1 . . . . A 568 ASN H . 34151 1 670 . 1 1 69 69 ASN HA H 1 4.748 0.016 . 1 . . . . A 568 ASN HA . 34151 1 671 . 1 1 69 69 ASN HB2 H 1 2.761 0.02 . 2 . . . . A 568 ASN HB2 . 34151 1 672 . 1 1 69 69 ASN HB3 H 1 2.886 0.012 . 2 . . . . A 568 ASN HB3 . 34151 1 673 . 1 1 69 69 ASN C C 13 174.844 0.003 . 1 . . . . A 568 ASN C . 34151 1 674 . 1 1 69 69 ASN CA C 13 53.246 0.045 . 1 . . . . A 568 ASN CA . 34151 1 675 . 1 1 69 69 ASN CB C 13 39.268 0.12 . 1 . . . . A 568 ASN CB . 34151 1 676 . 1 1 69 69 ASN N N 15 116.868 0.027 . 1 . . . . A 568 ASN N . 34151 1 677 . 1 1 70 70 GLN H H 1 7.84 0.013 . 1 . . . . A 569 GLN H . 34151 1 678 . 1 1 70 70 GLN HA H 1 4.589 0.016 . 1 . . . . A 569 GLN HA . 34151 1 679 . 1 1 70 70 GLN HB2 H 1 2.036 0.014 . 2 . . . . A 569 GLN HB2 . 34151 1 680 . 1 1 70 70 GLN HB3 H 1 2.116 0.011 . 2 . . . . A 569 GLN HB3 . 34151 1 681 . 1 1 70 70 GLN HG2 H 1 2.464 0.007 . 1 . . . . A 569 GLN HG2 . 34151 1 682 . 1 1 70 70 GLN C C 13 173.907 0 . 1 . . . . A 569 GLN C . 34151 1 683 . 1 1 70 70 GLN CA C 13 54.24 0.049 . 1 . . . . A 569 GLN CA . 34151 1 684 . 1 1 70 70 GLN CB C 13 28.8 0.032 . 1 . . . . A 569 GLN CB . 34151 1 685 . 1 1 70 70 GLN CG C 13 33.529 0.064 . 1 . . . . A 569 GLN CG . 34151 1 686 . 1 1 70 70 GLN N N 15 121.197 0.026 . 1 . . . . A 569 GLN N . 34151 1 stop_ save_