data_19251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19251 _Entry.Title ; Structure, function, and tethering of DNA-binding domains in 54 transcriptional activators ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-19 _Entry.Accession_date 2013-05-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 EUNMI HONG . . . 19251 2 'David E' Wemmer . . . 19251 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19251 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '54 transcriptional activators' . 19251 'DNA-binding domains' . 19251 'NifA like homolog - 2(NIh-2)' . 19251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 19251 '15N chemical shifts' 58 19251 '1H chemical shifts' 413 19251 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-10-11 2013-05-19 update BMRB 'update entry citation' 19251 1 . . 2013-08-26 2013-05-19 original author 'original release' 19251 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M8G 'BMRB Entry Tracking System' 19251 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19251 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23818155 _Citation.Full_citation . _Citation.Title 'Structure, function, and tethering of DNA-binding domains in (54) transcriptional activators.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full Biopolymers _Citation.Journal_volume 99 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1082 _Citation.Page_last 1096 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Natasha Vidangos . . . 19251 1 2 Ann Maris . E. . 19251 1 3 Anisa Young . . . 19251 1 4 Eunmi Hong . . . 19251 1 5 Jeffrey Pelton . G. . 19251 1 6 Joseph Batchelor . D. . 19251 1 7 David Wemmer . E. . 19251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19251 _Assembly.ID 1 _Assembly.Name Nlh2 _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 . _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 Nlh2 1 $Nlh2 A . yes native no no . . . 19251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nlh2 _Entity.Sf_category entity _Entity.Sf_framecode Nlh2 _Entity.Entry_ID 19251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID X _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TSSELPELLRKRERKTGDLP KFIEETEKKRIIEALEKTGY VKSRAAKLLGYTLRQLDYRI KKYGIELKKF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _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 8334.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M8G . "Structure, Function, And Tethering Of Dna-binding Domains In 54 Transcriptional Activators" . . . . . 100.00 70 100.00 100.00 1.86e-38 . . . . 19251 1 2 no GB AAC07620 . "transcriptional regulator (NtrC family) [Aquifex aeolicus VF5]" . . . . . 100.00 497 100.00 100.00 2.04e-35 . . . . 19251 1 3 no REF NP_214227 . "NtrC family transcriptional regulator [Aquifex aeolicus VF5]" . . . . . 100.00 497 100.00 100.00 2.04e-35 . . . . 19251 1 4 no REF WP_010881164 . "sigma-54-dependent Fis family transcriptional regulator [Aquifex aeolicus]" . . . . . 100.00 497 100.00 100.00 2.04e-35 . . . . 19251 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 1 428 THR . 19251 1 2 429 SER . 19251 1 3 430 SER . 19251 1 4 431 GLU . 19251 1 5 432 LEU . 19251 1 6 433 PRO . 19251 1 7 434 GLU . 19251 1 8 435 LEU . 19251 1 9 436 LEU . 19251 1 10 437 ARG . 19251 1 11 438 LYS . 19251 1 12 439 ARG . 19251 1 13 440 GLU . 19251 1 14 441 ARG . 19251 1 15 442 LYS . 19251 1 16 443 THR . 19251 1 17 444 GLY . 19251 1 18 445 ASP . 19251 1 19 446 LEU . 19251 1 20 447 PRO . 19251 1 21 448 LYS . 19251 1 22 449 PHE . 19251 1 23 450 ILE . 19251 1 24 451 GLU . 19251 1 25 452 GLU . 19251 1 26 453 THR . 19251 1 27 454 GLU . 19251 1 28 455 LYS . 19251 1 29 456 LYS . 19251 1 30 457 ARG . 19251 1 31 458 ILE . 19251 1 32 459 ILE . 19251 1 33 460 GLU . 19251 1 34 461 ALA . 19251 1 35 462 LEU . 19251 1 36 463 GLU . 19251 1 37 464 LYS . 19251 1 38 465 THR . 19251 1 39 466 GLY . 19251 1 40 467 TYR . 19251 1 41 468 VAL . 19251 1 42 469 LYS . 19251 1 43 470 SER . 19251 1 44 471 ARG . 19251 1 45 472 ALA . 19251 1 46 473 ALA . 19251 1 47 474 LYS . 19251 1 48 475 LEU . 19251 1 49 476 LEU . 19251 1 50 477 GLY . 19251 1 51 478 TYR . 19251 1 52 479 THR . 19251 1 53 480 LEU . 19251 1 54 481 ARG . 19251 1 55 482 GLN . 19251 1 56 483 LEU . 19251 1 57 484 ASP . 19251 1 58 485 TYR . 19251 1 59 486 ARG . 19251 1 60 487 ILE . 19251 1 61 488 LYS . 19251 1 62 489 LYS . 19251 1 63 490 TYR . 19251 1 64 491 GLY . 19251 1 65 492 ILE . 19251 1 66 493 GLU . 19251 1 67 494 LEU . 19251 1 68 495 LYS . 19251 1 69 496 LYS . 19251 1 70 497 PHE . 19251 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 19251 1 . SER 2 2 19251 1 . SER 3 3 19251 1 . GLU 4 4 19251 1 . LEU 5 5 19251 1 . PRO 6 6 19251 1 . GLU 7 7 19251 1 . LEU 8 8 19251 1 . LEU 9 9 19251 1 . ARG 10 10 19251 1 . LYS 11 11 19251 1 . ARG 12 12 19251 1 . GLU 13 13 19251 1 . ARG 14 14 19251 1 . LYS 15 15 19251 1 . THR 16 16 19251 1 . GLY 17 17 19251 1 . ASP 18 18 19251 1 . LEU 19 19 19251 1 . PRO 20 20 19251 1 . LYS 21 21 19251 1 . PHE 22 22 19251 1 . ILE 23 23 19251 1 . GLU 24 24 19251 1 . GLU 25 25 19251 1 . THR 26 26 19251 1 . GLU 27 27 19251 1 . LYS 28 28 19251 1 . LYS 29 29 19251 1 . ARG 30 30 19251 1 . ILE 31 31 19251 1 . ILE 32 32 19251 1 . GLU 33 33 19251 1 . ALA 34 34 19251 1 . LEU 35 35 19251 1 . GLU 36 36 19251 1 . LYS 37 37 19251 1 . THR 38 38 19251 1 . GLY 39 39 19251 1 . TYR 40 40 19251 1 . VAL 41 41 19251 1 . LYS 42 42 19251 1 . SER 43 43 19251 1 . ARG 44 44 19251 1 . ALA 45 45 19251 1 . ALA 46 46 19251 1 . LYS 47 47 19251 1 . LEU 48 48 19251 1 . LEU 49 49 19251 1 . GLY 50 50 19251 1 . TYR 51 51 19251 1 . THR 52 52 19251 1 . LEU 53 53 19251 1 . ARG 54 54 19251 1 . GLN 55 55 19251 1 . LEU 56 56 19251 1 . ASP 57 57 19251 1 . TYR 58 58 19251 1 . ARG 59 59 19251 1 . ILE 60 60 19251 1 . LYS 61 61 19251 1 . LYS 62 62 19251 1 . TYR 63 63 19251 1 . GLY 64 64 19251 1 . ILE 65 65 19251 1 . GLU 66 66 19251 1 . LEU 67 67 19251 1 . LYS 68 68 19251 1 . LYS 69 69 19251 1 . PHE 70 70 19251 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 19251 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nlh2 . 63363 organism . 'Aquifex aeolicus' aquificales . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . . . . . . . . . 19251 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 19251 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nlh2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Rosetta.pLysS . . . . . . 19251 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19251 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nlh2 '[U-100% 13C; U-100% 15N]' . . 1 $Nlh2 . . 1 . . mM . . . . 19251 1 2 'sodium phosphate' '[U-100% 15N]' . . . . . . 1 . . mM . . . . 19251 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19251 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19251 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19251 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Nlh2 '[U-100% 13C; U-100% 15N]' . . 1 $Nlh2 . . 1 . . mM . . . . 19251 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19251 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 19251 _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 19251 1 pH 7 . pH 19251 1 temperature 273 . K 19251 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19251 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19251 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19251 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19251 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19251 2 'data analysis' 19251 2 'peak picking' 19251 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19251 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19251 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19251 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19251 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19251 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19251 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19251 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19251 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19251 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19251 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19251 _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 spectrometer_1 Bruker DRX . 800 . . . 19251 1 2 spectrometer_2 Bruker DRX . 900 . . . 19251 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 19251 _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 . . . . . . . . . . . . . . . . . . . . . 19251 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19251 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 19251 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19251 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19251 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19251 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19251 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 19251 1 2 '2D 1H-13C HSQC' . . . 19251 1 3 '3D HNCA' . . . 19251 1 4 '3D HN(CO)CA' . . . 19251 1 5 '3D HNCACB' . . . 19251 1 6 '3D CBCA(CO)NH' . . . 19251 1 7 '3D C(CO)NH' . . . 19251 1 8 '3D H(CCO)NH' . . . 19251 1 9 '3D HBHA(CO)NH' . . . 19251 1 10 '3D HCCH-TOCSY' . . . 19251 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.456 0.02 . 1 . . . X 430 SER HA . 19251 1 2 . 1 1 3 3 SER HB2 H 1 3.898 0.02 . 1 . . . X 430 SER HB2 . 19251 1 3 . 1 1 3 3 SER HB3 H 1 3.898 0.02 . 1 . . . X 430 SER HB3 . 19251 1 4 . 1 1 3 3 SER CA C 13 59.81 0.1 . 1 . . . X 430 SER CA . 19251 1 5 . 1 1 3 3 SER CB C 13 65.00 0.1 . 1 . . . X 430 SER CB . 19251 1 6 . 1 1 4 4 GLU H H 1 8.334 0.02 . 1 . . . X 431 GLU H . 19251 1 7 . 1 1 4 4 GLU HA H 1 4.285 0.02 . 1 . . . X 431 GLU HA . 19251 1 8 . 1 1 4 4 GLU HB2 H 1 1.938 0.02 . 1 . . . X 431 GLU HB2 . 19251 1 9 . 1 1 4 4 GLU HB3 H 1 1.938 0.02 . 1 . . . X 431 GLU HB3 . 19251 1 10 . 1 1 4 4 GLU HG2 H 1 2.254 0.02 . 2 . . . X 431 GLU HG2 . 19251 1 11 . 1 1 4 4 GLU HG3 H 1 2.080 0.02 . 2 . . . X 431 GLU HG3 . 19251 1 12 . 1 1 4 4 GLU CA C 13 57.56 0.1 . 1 . . . X 431 GLU CA . 19251 1 13 . 1 1 4 4 GLU CB C 13 31.56 0.1 . 1 . . . X 431 GLU CB . 19251 1 14 . 1 1 4 4 GLU N N 15 123.0 0.2 . 1 . . . X 431 GLU N . 19251 1 15 . 1 1 5 5 LEU H H 1 8.203 0.02 . 1 . . . X 432 LEU H . 19251 1 16 . 1 1 5 5 LEU HA H 1 4.655 0.02 . 1 . . . X 432 LEU HA . 19251 1 17 . 1 1 5 5 LEU HB2 H 1 1.619 0.02 . 1 . . . X 432 LEU HB2 . 19251 1 18 . 1 1 5 5 LEU HB3 H 1 1.619 0.02 . 1 . . . X 432 LEU HB3 . 19251 1 19 . 1 1 5 5 LEU HG H 1 1.727 0.02 . 1 . . . X 432 LEU HG . 19251 1 20 . 1 1 5 5 LEU HD11 H 1 0.9760 0.02 . 2 . . . X 432 LEU HD11 . 19251 1 21 . 1 1 5 5 LEU HD12 H 1 0.9760 0.02 . 2 . . . X 432 LEU HD12 . 19251 1 22 . 1 1 5 5 LEU HD13 H 1 0.9760 0.02 . 2 . . . X 432 LEU HD13 . 19251 1 23 . 1 1 5 5 LEU HD21 H 1 0.9522 0.02 . 2 . . . X 432 LEU HD21 . 19251 1 24 . 1 1 5 5 LEU HD22 H 1 0.9522 0.02 . 2 . . . X 432 LEU HD22 . 19251 1 25 . 1 1 5 5 LEU HD23 H 1 0.9522 0.02 . 2 . . . X 432 LEU HD23 . 19251 1 26 . 1 1 5 5 LEU CA C 13 54.74 0.1 . 1 . . . X 432 LEU CA . 19251 1 27 . 1 1 5 5 LEU CB C 13 42.96 0.1 . 1 . . . X 432 LEU CB . 19251 1 28 . 1 1 5 5 LEU CG C 13 27.99 0.1 . 1 . . . X 432 LEU CG . 19251 1 29 . 1 1 5 5 LEU CD1 C 13 26.13 0.1 . 2 . . . X 432 LEU CD1 . 19251 1 30 . 1 1 5 5 LEU CD2 C 13 24.56 0.1 . 2 . . . X 432 LEU CD2 . 19251 1 31 . 1 1 5 5 LEU N N 15 124.6 0.2 . 1 . . . X 432 LEU N . 19251 1 32 . 1 1 6 6 PRO HA H 1 4.392 0.02 . 1 . . . X 433 PRO HA . 19251 1 33 . 1 1 6 6 PRO HB2 H 1 2.330 0.02 . 2 . . . X 433 PRO HB2 . 19251 1 34 . 1 1 6 6 PRO HB3 H 1 1.784 0.02 . 2 . . . X 433 PRO HB3 . 19251 1 35 . 1 1 6 6 PRO HG2 H 1 2.062 0.02 . 1 . . . X 433 PRO HG2 . 19251 1 36 . 1 1 6 6 PRO HG3 H 1 2.062 0.02 . 1 . . . X 433 PRO HG3 . 19251 1 37 . 1 1 6 6 PRO HD2 H 1 3.897 0.02 . 2 . . . X 433 PRO HD2 . 19251 1 38 . 1 1 6 6 PRO HD3 H 1 3.662 0.02 . 2 . . . X 433 PRO HD3 . 19251 1 39 . 1 1 6 6 PRO CA C 13 64.73 0.1 . 1 . . . X 433 PRO CA . 19251 1 40 . 1 1 6 6 PRO CB C 13 33.21 0.1 . 1 . . . X 433 PRO CB . 19251 1 41 . 1 1 6 6 PRO CG C 13 28.65 0.1 . 1 . . . X 433 PRO CG . 19251 1 42 . 1 1 6 6 PRO CD C 13 51.78 0.1 . 1 . . . X 433 PRO CD . 19251 1 43 . 1 1 7 7 GLU H H 1 8.605 0.02 . 1 . . . X 434 GLU H . 19251 1 44 . 1 1 7 7 GLU HA H 1 4.123 0.02 . 1 . . . X 434 GLU HA . 19251 1 45 . 1 1 7 7 GLU HB2 H 1 2.031 0.02 . 1 . . . X 434 GLU HB2 . 19251 1 46 . 1 1 7 7 GLU HB3 H 1 2.031 0.02 . 1 . . . X 434 GLU HB3 . 19251 1 47 . 1 1 7 7 GLU CA C 13 59.17 0.1 . 1 . . . X 434 GLU CA . 19251 1 48 . 1 1 7 7 GLU CB C 13 30.95 0.1 . 1 . . . X 434 GLU CB . 19251 1 49 . 1 1 7 7 GLU N N 15 120.8 0.2 . 1 . . . X 434 GLU N . 19251 1 50 . 1 1 8 8 LEU H H 1 8.099 0.02 . 1 . . . X 435 LEU H . 19251 1 51 . 1 1 8 8 LEU CA C 13 57.51 0.1 . 1 . . . X 435 LEU CA . 19251 1 52 . 1 1 8 8 LEU CB C 13 43.29 0.1 . 1 . . . X 435 LEU CB . 19251 1 53 . 1 1 8 8 LEU N N 15 121.6 0.02 . 1 . . . X 435 LEU N . 19251 1 54 . 1 1 9 9 LEU H H 1 7.900 0.02 . 1 . . . X 436 LEU H . 19251 1 55 . 1 1 9 9 LEU CA C 13 57.04 0.1 . 1 . . . X 436 LEU CA . 19251 1 56 . 1 1 9 9 LEU CB C 13 43.21 0.1 . 1 . . . X 436 LEU CB . 19251 1 57 . 1 1 9 9 LEU N N 15 121.1 0.2 . 1 . . . X 436 LEU N . 19251 1 58 . 1 1 10 10 ARG H H 1 7.966 0.02 . 1 . . . X 437 ARG H . 19251 1 59 . 1 1 10 10 ARG CA C 13 58.02 0.1 . 1 . . . X 437 ARG CA . 19251 1 60 . 1 1 10 10 ARG CB C 13 31.72 0.1 . 1 . . . X 437 ARG CB . 19251 1 61 . 1 1 10 10 ARG N N 15 120.9 0.2 . 1 . . . X 437 ARG N . 19251 1 62 . 1 1 17 17 GLY HA2 H 1 3.989 0.02 . 1 . . . X 444 GLY HA2 . 19251 1 63 . 1 1 17 17 GLY HA3 H 1 3.989 0.02 . 1 . . . X 444 GLY HA3 . 19251 1 64 . 1 1 17 17 GLY CA C 13 46.44 0.1 . 1 . . . X 444 GLY CA . 19251 1 65 . 1 1 18 18 ASP H H 1 8.193 0.02 . 1 . . . X 445 ASP H . 19251 1 66 . 1 1 18 18 ASP HA H 1 4.688 0.02 . 1 . . . X 445 ASP HA . 19251 1 67 . 1 1 18 18 ASP HB2 H 1 2.722 0.02 . 2 . . . X 445 ASP HB2 . 19251 1 68 . 1 1 18 18 ASP HB3 H 1 2.578 0.02 . 2 . . . X 445 ASP HB3 . 19251 1 69 . 1 1 18 18 ASP CA C 13 55.45 0.1 . 1 . . . X 445 ASP CA . 19251 1 70 . 1 1 18 18 ASP CB C 13 42.98 0.1 . 1 . . . X 445 ASP CB . 19251 1 71 . 1 1 18 18 ASP N N 15 121.1 0.2 . 1 . . . X 445 ASP N . 19251 1 72 . 1 1 19 19 LEU H H 1 8.269 0.02 . 1 . . . X 446 LEU H . 19251 1 73 . 1 1 19 19 LEU CA C 13 55.26 0.1 . 1 . . . X 446 LEU CA . 19251 1 74 . 1 1 19 19 LEU CB C 13 42.68 0.1 . 1 . . . X 446 LEU CB . 19251 1 75 . 1 1 19 19 LEU N N 15 124.2 0.2 . 1 . . . X 446 LEU N . 19251 1 76 . 1 1 20 20 PRO HA H 1 4.390 0.02 . 1 . . . X 447 PRO HA . 19251 1 77 . 1 1 20 20 PRO CA C 13 65.13 0.1 . 1 . . . X 447 PRO CA . 19251 1 78 . 1 1 20 20 PRO CB C 13 31.71 0.1 . 1 . . . X 447 PRO CB . 19251 1 79 . 1 1 21 21 LYS H H 1 8.322 0.02 . 1 . . . X 448 LYS H . 19251 1 80 . 1 1 21 21 LYS HA H 1 4.224 0.02 . 1 . . . X 448 LYS HA . 19251 1 81 . 1 1 21 21 LYS HB2 H 1 1.789 0.02 . 1 . . . X 448 LYS HB2 . 19251 1 82 . 1 1 21 21 LYS HB3 H 1 1.789 0.02 . 1 . . . X 448 LYS HB3 . 19251 1 83 . 1 1 21 21 LYS CA C 13 58.60 0.1 . 1 . . . X 448 LYS CA . 19251 1 84 . 1 1 21 21 LYS CB C 13 33.85 0.1 . 1 . . . X 448 LYS CB . 19251 1 85 . 1 1 21 21 LYS N N 15 121.2 0.2 . 1 . . . X 448 LYS N . 19251 1 86 . 1 1 22 22 PHE H H 1 8.136 0.02 . 1 . . . X 449 PHE H . 19251 1 87 . 1 1 22 22 PHE HA H 1 4.617 0.02 . 1 . . . X 449 PHE HA . 19251 1 88 . 1 1 22 22 PHE HB2 H 1 3.198 0.02 . 1 . . . X 449 PHE HB2 . 19251 1 89 . 1 1 22 22 PHE HB3 H 1 3.198 0.02 . 1 . . . X 449 PHE HB3 . 19251 1 90 . 1 1 22 22 PHE HD1 H 1 7.287 0.02 . 1 . . . X 449 PHE HD1 . 19251 1 91 . 1 1 22 22 PHE HD2 H 1 7.287 0.02 . 1 . . . X 449 PHE HD2 . 19251 1 92 . 1 1 22 22 PHE CA C 13 59.99 0.1 . 1 . . . X 449 PHE CA . 19251 1 93 . 1 1 22 22 PHE CB C 13 40.27 0.1 . 1 . . . X 449 PHE CB . 19251 1 94 . 1 1 22 22 PHE N N 15 120.5 0.2 . 1 . . . X 449 PHE N . 19251 1 95 . 1 1 23 23 ILE H H 1 8.059 0.02 . 1 . . . X 450 ILE H . 19251 1 96 . 1 1 23 23 ILE HA H 1 3.954 0.02 . 1 . . . X 450 ILE HA . 19251 1 97 . 1 1 23 23 ILE HB H 1 1.954 0.02 . 1 . . . X 450 ILE HB . 19251 1 98 . 1 1 23 23 ILE HG12 H 1 1.501 0.02 . 2 . . . X 450 ILE HG12 . 19251 1 99 . 1 1 23 23 ILE HG13 H 1 1.226 0.02 . 2 . . . X 450 ILE HG13 . 19251 1 100 . 1 1 23 23 ILE HG21 H 1 0.959 0.02 . 1 . . . X 450 ILE HG21 . 19251 1 101 . 1 1 23 23 ILE HG22 H 1 0.959 0.02 . 1 . . . X 450 ILE HG22 . 19251 1 102 . 1 1 23 23 ILE HG23 H 1 0.959 0.02 . 1 . . . X 450 ILE HG23 . 19251 1 103 . 1 1 23 23 ILE HD11 H 1 0.8938 0.02 . 1 . . . X 450 ILE HD11 . 19251 1 104 . 1 1 23 23 ILE HD12 H 1 0.8938 0.02 . 1 . . . X 450 ILE HD12 . 19251 1 105 . 1 1 23 23 ILE HD13 H 1 0.8938 0.02 . 1 . . . X 450 ILE HD13 . 19251 1 106 . 1 1 23 23 ILE CA C 13 63.73 0.1 . 1 . . . X 450 ILE CA . 19251 1 107 . 1 1 23 23 ILE CB C 13 39.19 0.1 . 1 . . . X 450 ILE CB . 19251 1 108 . 1 1 23 23 ILE CG1 C 13 29.04 0.1 . 1 . . . X 450 ILE CG1 . 19251 1 109 . 1 1 23 23 ILE CG2 C 13 18.62 0.1 . 1 . . . X 450 ILE CG2 . 19251 1 110 . 1 1 23 23 ILE CD1 C 13 13.65 0.1 . 1 . . . X 450 ILE CD1 . 19251 1 111 . 1 1 23 23 ILE N N 15 123.1 0.2 . 1 . . . X 450 ILE N . 19251 1 112 . 1 1 24 24 GLU H H 1 8.198 0.02 . 1 . . . X 451 GLU H . 19251 1 113 . 1 1 24 24 GLU HA H 1 4.078 0.02 . 1 . . . X 451 GLU HA . 19251 1 114 . 1 1 24 24 GLU HB2 H 1 2.113 0.02 . 1 . . . X 451 GLU HB2 . 19251 1 115 . 1 1 24 24 GLU HB3 H 1 2.113 0.02 . 1 . . . X 451 GLU HB3 . 19251 1 116 . 1 1 24 24 GLU HG2 H 1 2.393 0.02 . 2 . . . X 451 GLU HG2 . 19251 1 117 . 1 1 24 24 GLU HG3 H 1 2.326 0.02 . 2 . . . X 451 GLU HG3 . 19251 1 118 . 1 1 24 24 GLU CA C 13 60.23 0.1 . 1 . . . X 451 GLU CA . 19251 1 119 . 1 1 24 24 GLU CB C 13 30.80 0.1 . 1 . . . X 451 GLU CB . 19251 1 120 . 1 1 24 24 GLU CG C 13 38.09 0.1 . 1 . . . X 451 GLU CG . 19251 1 121 . 1 1 24 24 GLU N N 15 123.4 0.2 . 1 . . . X 451 GLU N . 19251 1 122 . 1 1 25 25 GLU H H 1 8.392 0.02 . 1 . . . X 452 GLU H . 19251 1 123 . 1 1 25 25 GLU HA H 1 4.012 0.02 . 1 . . . X 452 GLU HA . 19251 1 124 . 1 1 25 25 GLU HB2 H 1 2.093 0.02 . 2 . . . X 452 GLU HB2 . 19251 1 125 . 1 1 25 25 GLU HB3 H 1 2.028 0.02 . 2 . . . X 452 GLU HB3 . 19251 1 126 . 1 1 25 25 GLU CA C 13 60.02 0.1 . 1 . . . X 452 GLU CA . 19251 1 127 . 1 1 25 25 GLU CB C 13 30.84 0.1 . 1 . . . X 452 GLU CB . 19251 1 128 . 1 1 25 25 GLU N N 15 120.1 0.2 . 1 . . . X 452 GLU N . 19251 1 129 . 1 1 26 26 THR H H 1 7.888 0.02 . 1 . . . X 453 THR H . 19251 1 130 . 1 1 26 26 THR HA H 1 3.940 0.02 . 1 . . . X 453 THR HA . 19251 1 131 . 1 1 26 26 THR HB H 1 4.245 0.02 . 1 . . . X 453 THR HB . 19251 1 132 . 1 1 26 26 THR HG21 H 1 1.222 0.02 . 1 . . . X 453 THR HG21 . 19251 1 133 . 1 1 26 26 THR HG22 H 1 1.222 0.02 . 1 . . . X 453 THR HG22 . 19251 1 134 . 1 1 26 26 THR HG23 H 1 1.222 0.02 . 1 . . . X 453 THR HG23 . 19251 1 135 . 1 1 26 26 THR CA C 13 66.71 0.1 . 1 . . . X 453 THR CA . 19251 1 136 . 1 1 26 26 THR CB C 13 69.88 0.1 . 1 . . . X 453 THR CB . 19251 1 137 . 1 1 26 26 THR CG2 C 13 22.92 0.1 . 1 . . . X 453 THR CG2 . 19251 1 138 . 1 1 26 26 THR N N 15 115.7 0.2 . 1 . . . X 453 THR N . 19251 1 139 . 1 1 27 27 GLU H H 1 8.179 0.02 . 1 . . . X 454 GLU H . 19251 1 140 . 1 1 27 27 GLU HA H 1 4.132 0.02 . 1 . . . X 454 GLU HA . 19251 1 141 . 1 1 27 27 GLU HB2 H 1 2.123 0.02 . 1 . . . X 454 GLU HB2 . 19251 1 142 . 1 1 27 27 GLU HB3 H 1 2.123 0.02 . 1 . . . X 454 GLU HB3 . 19251 1 143 . 1 1 27 27 GLU HG2 H 1 2.478 0.02 . 1 . . . X 454 GLU HG2 . 19251 1 144 . 1 1 27 27 GLU HG3 H 1 2.478 0.02 . 1 . . . X 454 GLU HG3 . 19251 1 145 . 1 1 27 27 GLU CA C 13 60.46 0.1 . 1 . . . X 454 GLU CA . 19251 1 146 . 1 1 27 27 GLU CB C 13 30.62 0.1 . 1 . . . X 454 GLU CB . 19251 1 147 . 1 1 27 27 GLU CG C 13 37.49 0.1 . 1 . . . X 454 GLU CG . 19251 1 148 . 1 1 27 27 GLU N N 15 124.2 0.2 . 1 . . . X 454 GLU N . 19251 1 149 . 1 1 28 28 LYS H H 1 7.968 0.02 . 1 . . . X 455 LYS H . 19251 1 150 . 1 1 28 28 LYS HA H 1 3.472 0.02 . 1 . . . X 455 LYS HA . 19251 1 151 . 1 1 28 28 LYS HB2 H 1 1.680 0.02 . 2 . . . X 455 LYS HB2 . 19251 1 152 . 1 1 28 28 LYS HB3 H 1 1.046 0.02 . 2 . . . X 455 LYS HB3 . 19251 1 153 . 1 1 28 28 LYS HG2 H 1 1.204 0.02 . 2 . . . X 455 LYS HG2 . 19251 1 154 . 1 1 28 28 LYS HG3 H 1 1.017 0.02 . 2 . . . X 455 LYS HG3 . 19251 1 155 . 1 1 28 28 LYS HD2 H 1 1.683 0.02 . 1 . . . X 455 LYS HD2 . 19251 1 156 . 1 1 28 28 LYS HD3 H 1 1.683 0.02 . 1 . . . X 455 LYS HD3 . 19251 1 157 . 1 1 28 28 LYS HE2 H 1 2.957 0.02 . 2 . . . X 455 LYS HE2 . 19251 1 158 . 1 1 28 28 LYS HE3 H 1 2.834 0.02 . 2 . . . X 455 LYS HE3 . 19251 1 159 . 1 1 28 28 LYS CA C 13 61.72 0.1 . 1 . . . X 455 LYS CA . 19251 1 160 . 1 1 28 28 LYS CB C 13 33.55 0.1 . 1 . . . X 455 LYS CB . 19251 1 161 . 1 1 28 28 LYS CG C 13 26.55 0.1 . 1 . . . X 455 LYS CG . 19251 1 162 . 1 1 28 28 LYS CD C 13 30.85 0.1 . 1 . . . X 455 LYS CD . 19251 1 163 . 1 1 28 28 LYS CE C 13 43.05 0.1 . 1 . . . X 455 LYS CE . 19251 1 164 . 1 1 28 28 LYS N N 15 119.8 0.2 . 1 . . . X 455 LYS N . 19251 1 165 . 1 1 29 29 LYS H H 1 7.573 0.02 . 1 . . . X 456 LYS H . 19251 1 166 . 1 1 29 29 LYS HA H 1 3.912 0.02 . 1 . . . X 456 LYS HA . 19251 1 167 . 1 1 29 29 LYS HB2 H 1 1.897 0.02 . 1 . . . X 456 LYS HB2 . 19251 1 168 . 1 1 29 29 LYS HB3 H 1 1.897 0.02 . 1 . . . X 456 LYS HB3 . 19251 1 169 . 1 1 29 29 LYS HG2 H 1 1.573 0.02 . 2 . . . X 456 LYS HG2 . 19251 1 170 . 1 1 29 29 LYS HG3 H 1 1.405 0.02 . 2 . . . X 456 LYS HG3 . 19251 1 171 . 1 1 29 29 LYS CA C 13 60.82 0.1 . 1 . . . X 456 LYS CA . 19251 1 172 . 1 1 29 29 LYS CB C 13 33.58 0.1 . 1 . . . X 456 LYS CB . 19251 1 173 . 1 1 29 29 LYS CG C 13 26.39 0.1 . 1 . . . X 456 LYS CG . 19251 1 174 . 1 1 29 29 LYS N N 15 117.2 0.1 . 1 . . . X 456 LYS N . 19251 1 175 . 1 1 30 30 ARG H H 1 7.951 0.2 . 1 . . . X 457 ARG H . 19251 1 176 . 1 1 30 30 ARG HA H 1 4.070 0.02 . 1 . . . X 457 ARG HA . 19251 1 177 . 1 1 30 30 ARG HB2 H 1 1.978 0.02 . 2 . . . X 457 ARG HB2 . 19251 1 178 . 1 1 30 30 ARG HB3 H 1 1.906 0.02 . 2 . . . X 457 ARG HB3 . 19251 1 179 . 1 1 30 30 ARG HG2 H 1 1.770 0.02 . 2 . . . X 457 ARG HG2 . 19251 1 180 . 1 1 30 30 ARG HG3 H 1 1.568 0.02 . 2 . . . X 457 ARG HG3 . 19251 1 181 . 1 1 30 30 ARG HD2 H 1 3.234 0.02 . 2 . . . X 457 ARG HD2 . 19251 1 182 . 1 1 30 30 ARG HD3 H 1 3.163 0.02 . 2 . . . X 457 ARG HD3 . 19251 1 183 . 1 1 30 30 ARG CA C 13 60.51 0.1 . 1 . . . X 457 ARG CA . 19251 1 184 . 1 1 30 30 ARG CB C 13 31.65 0.1 . 1 . . . X 457 ARG CB . 19251 1 185 . 1 1 30 30 ARG CG C 13 29.52 0.1 . 1 . . . X 457 ARG CG . 19251 1 186 . 1 1 30 30 ARG CD C 13 44.61 0.1 . 1 . . . X 457 ARG CD . 19251 1 187 . 1 1 30 30 ARG N N 15 120.2 0.2 . 1 . . . X 457 ARG N . 19251 1 188 . 1 1 31 31 ILE H H 1 8.331 0.02 . 1 . . . X 458 ILE H . 19251 1 189 . 1 1 31 31 ILE HA H 1 3.711 0.02 . 1 . . . X 458 ILE HA . 19251 1 190 . 1 1 31 31 ILE HB H 1 1.966 0.02 . 1 . . . X 458 ILE HB . 19251 1 191 . 1 1 31 31 ILE HG12 H 1 2.144 0.02 . 2 . . . X 458 ILE HG12 . 19251 1 192 . 1 1 31 31 ILE HG13 H 1 1.012 0.02 . 2 . . . X 458 ILE HG13 . 19251 1 193 . 1 1 31 31 ILE HG21 H 1 0.8045 0.02 . 1 . . . X 458 ILE HG21 . 19251 1 194 . 1 1 31 31 ILE HG22 H 1 0.8045 0.02 . 1 . . . X 458 ILE HG22 . 19251 1 195 . 1 1 31 31 ILE HG23 H 1 0.8045 0.02 . 1 . . . X 458 ILE HG23 . 19251 1 196 . 1 1 31 31 ILE HD11 H 1 1.056 0.02 . 1 . . . X 458 ILE HD11 . 19251 1 197 . 1 1 31 31 ILE HD12 H 1 1.056 0.02 . 1 . . . X 458 ILE HD12 . 19251 1 198 . 1 1 31 31 ILE HD13 H 1 1.056 0.02 . 1 . . . X 458 ILE HD13 . 19251 1 199 . 1 1 31 31 ILE CA C 13 66.83 0.1 . 1 . . . X 458 ILE CA . 19251 1 200 . 1 1 31 31 ILE CB C 13 39.04 0.1 . 1 . . . X 458 ILE CB . 19251 1 201 . 1 1 31 31 ILE CG1 C 13 30.52 0.1 . 1 . . . X 458 ILE CG1 . 19251 1 202 . 1 1 31 31 ILE CG2 C 13 19.42 0.1 . 1 . . . X 458 ILE CG2 . 19251 1 203 . 1 1 31 31 ILE CD1 C 13 16.90 0.1 . 1 . . . X 458 ILE CD1 . 19251 1 204 . 1 1 31 31 ILE N N 15 121.2 0.2 . 1 . . . X 458 ILE N . 19251 1 205 . 1 1 32 32 ILE H H 1 8.247 0.02 . 1 . . . X 459 ILE H . 19251 1 206 . 1 1 32 32 ILE HA H 1 3.525 0.02 . 1 . . . X 459 ILE HA . 19251 1 207 . 1 1 32 32 ILE HB H 1 1.867 0.02 . 1 . . . X 459 ILE HB . 19251 1 208 . 1 1 32 32 ILE HG12 H 1 1.847 0.02 . 2 . . . X 459 ILE HG12 . 19251 1 209 . 1 1 32 32 ILE HG13 H 1 1.127 0.02 . 2 . . . X 459 ILE HG13 . 19251 1 210 . 1 1 32 32 ILE HG21 H 1 0.997 0.02 . 1 . . . X 459 ILE HG21 . 19251 1 211 . 1 1 32 32 ILE HG22 H 1 0.997 0.02 . 1 . . . X 459 ILE HG22 . 19251 1 212 . 1 1 32 32 ILE HG23 H 1 0.997 0.02 . 1 . . . X 459 ILE HG23 . 19251 1 213 . 1 1 32 32 ILE HD11 H 1 0.9272 0.02 . 1 . . . X 459 ILE HD11 . 19251 1 214 . 1 1 32 32 ILE HD12 H 1 0.9272 0.02 . 1 . . . X 459 ILE HD12 . 19251 1 215 . 1 1 32 32 ILE HD13 H 1 0.9272 0.02 . 1 . . . X 459 ILE HD13 . 19251 1 216 . 1 1 32 32 ILE CA C 13 67.79 0.1 . 1 . . . X 459 ILE CA . 19251 1 217 . 1 1 32 32 ILE CB C 13 39.39 0.1 . 1 . . . X 459 ILE CB . 19251 1 218 . 1 1 32 32 ILE CG1 C 13 31.40 0.1 . 1 . . . X 459 ILE CG1 . 19251 1 219 . 1 1 32 32 ILE CG2 C 13 18.20 0.1 . 1 . . . X 459 ILE CG2 . 19251 1 220 . 1 1 32 32 ILE CD1 C 13 15.49 0.1 . 1 . . . X 459 ILE CD1 . 19251 1 221 . 1 1 32 32 ILE N N 15 121.2 0.2 . 1 . . . X 459 ILE N . 19251 1 222 . 1 1 33 33 GLU H H 1 8.270 0.02 . 1 . . . X 460 GLU H . 19251 1 223 . 1 1 33 33 GLU HA H 1 4.005 0.02 . 1 . . . X 460 GLU HA . 19251 1 224 . 1 1 33 33 GLU HB2 H 1 2.122 0.02 . 2 . . . X 460 GLU HB2 . 19251 1 225 . 1 1 33 33 GLU HB3 H 1 2.026 0.02 . 2 . . . X 460 GLU HB3 . 19251 1 226 . 1 1 33 33 GLU HG2 H 1 2.465 0.02 . 2 . . . X 460 GLU HG2 . 19251 1 227 . 1 1 33 33 GLU HG3 H 1 2.187 0.02 . 2 . . . X 460 GLU HG3 . 19251 1 228 . 1 1 33 33 GLU CA C 13 61.01 0.1 . 1 . . . X 460 GLU CA . 19251 1 229 . 1 1 33 33 GLU CB C 13 30.74 0.1 . 1 . . . X 460 GLU CB . 19251 1 230 . 1 1 33 33 GLU CG C 13 37.98 0.1 . 1 . . . X 460 GLU CG . 19251 1 231 . 1 1 33 33 GLU N N 15 118.8 0.2 . 1 . . . X 460 GLU N . 19251 1 232 . 1 1 34 34 ALA H H 1 7.863 0.02 . 1 . . . X 461 ALA H . 19251 1 233 . 1 1 34 34 ALA HA H 1 4.048 0.02 . 1 . . . X 461 ALA HA . 19251 1 234 . 1 1 34 34 ALA HB1 H 1 1.494 0.02 . 1 . . . X 461 ALA HB1 . 19251 1 235 . 1 1 34 34 ALA HB2 H 1 1.494 0.02 . 1 . . . X 461 ALA HB2 . 19251 1 236 . 1 1 34 34 ALA HB3 H 1 1.494 0.02 . 1 . . . X 461 ALA HB3 . 19251 1 237 . 1 1 34 34 ALA CA C 13 56.18 0.1 . 1 . . . X 461 ALA CA . 19251 1 238 . 1 1 34 34 ALA CB C 13 19.80 0.1 . 1 . . . X 461 ALA CB . 19251 1 239 . 1 1 34 34 ALA N N 15 121.8 0.2 . 1 . . . X 461 ALA N . 19251 1 240 . 1 1 35 35 LEU H H 1 8.389 0.02 . 1 . . . X 462 LEU H . 19251 1 241 . 1 1 35 35 LEU HA H 1 3.459 0.02 . 1 . . . X 462 LEU HA . 19251 1 242 . 1 1 35 35 LEU HB2 H 1 1.693 0.02 . 2 . . . X 462 LEU HB2 . 19251 1 243 . 1 1 35 35 LEU HB3 H 1 0.0583 0.02 . 2 . . . X 462 LEU HB3 . 19251 1 244 . 1 1 35 35 LEU HG H 1 1.567 0.02 . 1 . . . X 462 LEU HG . 19251 1 245 . 1 1 35 35 LEU HD11 H 1 0.7717 0.02 . 2 . . . X 462 LEU HD11 . 19251 1 246 . 1 1 35 35 LEU HD12 H 1 0.7717 0.02 . 2 . . . X 462 LEU HD12 . 19251 1 247 . 1 1 35 35 LEU HD13 H 1 0.7717 0.02 . 2 . . . X 462 LEU HD13 . 19251 1 248 . 1 1 35 35 LEU HD21 H 1 0.4849 0.02 . 2 . . . X 462 LEU HD21 . 19251 1 249 . 1 1 35 35 LEU HD22 H 1 0.4849 0.02 . 2 . . . X 462 LEU HD22 . 19251 1 250 . 1 1 35 35 LEU HD23 H 1 0.4849 0.02 . 2 . . . X 462 LEU HD23 . 19251 1 251 . 1 1 35 35 LEU CA C 13 59.00 0.1 . 1 . . . X 462 LEU CA . 19251 1 252 . 1 1 35 35 LEU CB C 13 41.01 0.1 . 1 . . . X 462 LEU CB . 19251 1 253 . 1 1 35 35 LEU CG C 13 28.03 0.1 . 1 . . . X 462 LEU CG . 19251 1 254 . 1 1 35 35 LEU CD1 C 13 28.07 0.1 . 2 . . . X 462 LEU CD1 . 19251 1 255 . 1 1 35 35 LEU CD2 C 13 23.47 0.1 . 2 . . . X 462 LEU CD2 . 19251 1 256 . 1 1 35 35 LEU N N 15 120.0 0.2 . 1 . . . X 462 LEU N . 19251 1 257 . 1 1 36 36 GLU H H 1 8.758 0.02 . 1 . . . X 463 GLU H . 19251 1 258 . 1 1 36 36 GLU HA H 1 3.818 0.02 . 1 . . . X 463 GLU HA . 19251 1 259 . 1 1 36 36 GLU HB2 H 1 2.235 0.02 . 2 . . . X 463 GLU HB2 . 19251 1 260 . 1 1 36 36 GLU HB3 H 1 2.132 0.02 . 2 . . . X 463 GLU HB3 . 19251 1 261 . 1 1 36 36 GLU HG2 H 1 2.542 0.02 . 2 . . . X 463 GLU HG2 . 19251 1 262 . 1 1 36 36 GLU HG3 H 1 2.410 0.02 . 2 . . . X 463 GLU HG3 . 19251 1 263 . 1 1 36 36 GLU CA C 13 61.20 0.1 . 1 . . . X 463 GLU CA . 19251 1 264 . 1 1 36 36 GLU CB C 13 30.29 0.1 . 1 . . . X 463 GLU CB . 19251 1 265 . 1 1 36 36 GLU CG C 13 37.82 0.1 . 1 . . . X 463 GLU CG . 19251 1 266 . 1 1 36 36 GLU N N 15 120.7 0.2 . 1 . . . X 463 GLU N . 19251 1 267 . 1 1 37 37 LYS H H 1 8.168 0.02 . 1 . . . X 464 LYS H . 19251 1 268 . 1 1 37 37 LYS HA H 1 4.163 0.02 . 1 . . . X 464 LYS HA . 19251 1 269 . 1 1 37 37 LYS HB2 H 1 1.957 0.02 . 2 . . . X 464 LYS HB2 . 19251 1 270 . 1 1 37 37 LYS HB3 H 1 1.936 0.02 . 2 . . . X 464 LYS HB3 . 19251 1 271 . 1 1 37 37 LYS HG2 H 1 1.616 0.02 . 2 . . . X 464 LYS HG2 . 19251 1 272 . 1 1 37 37 LYS HG3 H 1 1.537 0.02 . 2 . . . X 464 LYS HG3 . 19251 1 273 . 1 1 37 37 LYS HD2 H 1 1.668 0.02 . 1 . . . X 464 LYS HD2 . 19251 1 274 . 1 1 37 37 LYS HD3 H 1 1.668 0.02 . 1 . . . X 464 LYS HD3 . 19251 1 275 . 1 1 37 37 LYS CA C 13 59.90 0.1 . 1 . . . X 464 LYS CA . 19251 1 276 . 1 1 37 37 LYS CB C 13 34.01 0.1 . 1 . . . X 464 LYS CB . 19251 1 277 . 1 1 37 37 LYS CG C 13 26.17 0.1 . 1 . . . X 464 LYS CG . 19251 1 278 . 1 1 37 37 LYS N N 15 118.8 0.2 . 1 . . . X 464 LYS N . 19251 1 279 . 1 1 38 38 THR H H 1 7.440 0.02 . 1 . . . X 465 THR H . 19251 1 280 . 1 1 38 38 THR HA H 1 4.493 0.02 . 1 . . . X 465 THR HA . 19251 1 281 . 1 1 38 38 THR HB H 1 4.524 0.02 . 1 . . . X 465 THR HB . 19251 1 282 . 1 1 38 38 THR HG21 H 1 1.069 0.02 . 1 . . . X 465 THR HG21 . 19251 1 283 . 1 1 38 38 THR HG22 H 1 1.069 0.02 . 1 . . . X 465 THR HG22 . 19251 1 284 . 1 1 38 38 THR HG23 H 1 1.069 0.02 . 1 . . . X 465 THR HG23 . 19251 1 285 . 1 1 38 38 THR CA C 13 61.85 0.1 . 1 . . . X 465 THR CA . 19251 1 286 . 1 1 38 38 THR CB C 13 71.08 0.1 . 1 . . . X 465 THR CB . 19251 1 287 . 1 1 38 38 THR CG2 C 13 23.09 0.1 . 1 . . . X 465 THR CG2 . 19251 1 288 . 1 1 38 38 THR N N 15 106.7 0.2 . 1 . . . X 465 THR N . 19251 1 289 . 1 1 39 39 GLY H H 1 7.665 0.02 . 1 . . . X 466 GLY H . 19251 1 290 . 1 1 39 39 GLY HA2 H 1 3.990 0.02 . 2 . . . X 466 GLY HA2 . 19251 1 291 . 1 1 39 39 GLY HA3 H 1 3.932 0.02 . 2 . . . X 466 GLY HA3 . 19251 1 292 . 1 1 39 39 GLY CA C 13 48.70 0.1 . 1 . . . X 466 GLY CA . 19251 1 293 . 1 1 39 39 GLY N N 15 112.2 0.2 . 1 . . . X 466 GLY N . 19251 1 294 . 1 1 40 40 TYR H H 1 9.465 0.02 . 1 . . . X 467 TYR H . 19251 1 295 . 1 1 40 40 TYR HA H 1 3.168 0.02 . 1 . . . X 467 TYR HA . 19251 1 296 . 1 1 40 40 TYR HB2 H 1 3.343 0.02 . 2 . . . X 467 TYR HB2 . 19251 1 297 . 1 1 40 40 TYR HB3 H 1 3.267 0.02 . 2 . . . X 467 TYR HB3 . 19251 1 298 . 1 1 40 40 TYR HD1 H 1 7.048 0.02 . 1 . . . X 467 TYR HD1 . 19251 1 299 . 1 1 40 40 TYR HD2 H 1 7.048 0.02 . 1 . . . X 467 TYR HD2 . 19251 1 300 . 1 1 40 40 TYR HE1 H 1 6.926 0.02 . 1 . . . X 467 TYR HE1 . 19251 1 301 . 1 1 40 40 TYR HE2 H 1 6.926 0.02 . 1 . . . X 467 TYR HE2 . 19251 1 302 . 1 1 40 40 TYR CA C 13 61.45 0.1 . 1 . . . X 467 TYR CA . 19251 1 303 . 1 1 40 40 TYR CB C 13 35.44 0.1 . 1 . . . X 467 TYR CB . 19251 1 304 . 1 1 40 40 TYR N N 15 112.2 0.2 . 1 . . . X 467 TYR N . 19251 1 305 . 1 1 41 41 VAL H H 1 6.992 0.02 . 1 . . . X 468 VAL H . 19251 1 306 . 1 1 41 41 VAL HA H 1 4.228 0.02 . 1 . . . X 468 VAL HA . 19251 1 307 . 1 1 41 41 VAL HB H 1 2.141 0.02 . 1 . . . X 468 VAL HB . 19251 1 308 . 1 1 41 41 VAL HG11 H 1 1.096 0.02 . 2 . . . X 468 VAL HG11 . 19251 1 309 . 1 1 41 41 VAL HG12 H 1 1.096 0.02 . 2 . . . X 468 VAL HG12 . 19251 1 310 . 1 1 41 41 VAL HG13 H 1 1.096 0.02 . 2 . . . X 468 VAL HG13 . 19251 1 311 . 1 1 41 41 VAL HG21 H 1 1.129 0.02 . 2 . . . X 468 VAL HG21 . 19251 1 312 . 1 1 41 41 VAL HG22 H 1 1.129 0.02 . 2 . . . X 468 VAL HG22 . 19251 1 313 . 1 1 41 41 VAL HG23 H 1 1.129 0.02 . 2 . . . X 468 VAL HG23 . 19251 1 314 . 1 1 41 41 VAL CA C 13 63.49 0.1 . 1 . . . X 468 VAL CA . 19251 1 315 . 1 1 41 41 VAL CB C 13 32.40 0.1 . 1 . . . X 468 VAL CB . 19251 1 316 . 1 1 41 41 VAL CG1 C 13 23.07 0.1 . 2 . . . X 468 VAL CG1 . 19251 1 317 . 1 1 41 41 VAL CG2 C 13 22.22 0.1 . 2 . . . X 468 VAL CG2 . 19251 1 318 . 1 1 41 41 VAL N N 15 119.1 0.2 . 1 . . . X 468 VAL N . 19251 1 319 . 1 1 42 42 LYS N N 15 130.5 0.2 . 1 . . . X 469 LYS N . 19251 1 320 . 1 1 43 43 SER CA C 13 62.76 0.1 . 1 . . . X 470 SER CA . 19251 1 321 . 1 1 44 44 ARG H H 1 6.879 0.02 . 1 . . . X 471 ARG H . 19251 1 322 . 1 1 44 44 ARG HA H 1 4.234 0.02 . 1 . . . X 471 ARG HA . 19251 1 323 . 1 1 44 44 ARG HB2 H 1 1.993 0.02 . 2 . . . X 471 ARG HB2 . 19251 1 324 . 1 1 44 44 ARG HB3 H 1 1.960 0.02 . 2 . . . X 471 ARG HB3 . 19251 1 325 . 1 1 44 44 ARG HG2 H 1 1.833 0.02 . 2 . . . X 471 ARG HG2 . 19251 1 326 . 1 1 44 44 ARG HG3 H 1 1.748 0.02 . 2 . . . X 471 ARG HG3 . 19251 1 327 . 1 1 44 44 ARG HD2 H 1 3.281 0.02 . 1 . . . X 471 ARG HD2 . 19251 1 328 . 1 1 44 44 ARG HD3 H 1 3.281 0.02 . 1 . . . X 471 ARG HD3 . 19251 1 329 . 1 1 44 44 ARG CA C 13 59.58 0.1 . 1 . . . X 471 ARG CA . 19251 1 330 . 1 1 44 44 ARG CB C 13 31.75 0.1 . 1 . . . X 471 ARG CB . 19251 1 331 . 1 1 44 44 ARG CG C 13 29.18 0.1 . 1 . . . X 471 ARG CG . 19251 1 332 . 1 1 44 44 ARG CD C 13 44.61 0.1 . 1 . . . X 471 ARG CD . 19251 1 333 . 1 1 44 44 ARG N N 15 122.0 0.2 . 1 . . . X 471 ARG N . 19251 1 334 . 1 1 45 45 ALA H H 1 8.254 0.02 . 1 . . . X 472 ALA H . 19251 1 335 . 1 1 45 45 ALA HA H 1 3.811 0.02 . 1 . . . X 472 ALA HA . 19251 1 336 . 1 1 45 45 ALA HB1 H 1 1.227 0.02 . 1 . . . X 472 ALA HB1 . 19251 1 337 . 1 1 45 45 ALA HB2 H 1 1.227 0.02 . 1 . . . X 472 ALA HB2 . 19251 1 338 . 1 1 45 45 ALA HB3 H 1 1.227 0.02 . 1 . . . X 472 ALA HB3 . 19251 1 339 . 1 1 45 45 ALA CA C 13 56.65 0.1 . 1 . . . X 472 ALA CA . 19251 1 340 . 1 1 45 45 ALA CB C 13 18.61 0.1 . 1 . . . X 472 ALA CB . 19251 1 341 . 1 1 45 45 ALA N N 15 125.1 0.2 . 1 . . . X 472 ALA N . 19251 1 342 . 1 1 46 46 ALA H H 1 8.804 0.02 . 1 . . . X 473 ALA H . 19251 1 343 . 1 1 46 46 ALA HA H 1 3.827 0.02 . 1 . . . X 473 ALA HA . 19251 1 344 . 1 1 46 46 ALA HB1 H 1 1.469 0.02 . 1 . . . X 473 ALA HB1 . 19251 1 345 . 1 1 46 46 ALA HB2 H 1 1.469 0.02 . 1 . . . X 473 ALA HB2 . 19251 1 346 . 1 1 46 46 ALA HB3 H 1 1.469 0.02 . 1 . . . X 473 ALA HB3 . 19251 1 347 . 1 1 46 46 ALA CA C 13 57.35 0.1 . 1 . . . X 473 ALA CA . 19251 1 348 . 1 1 46 46 ALA CB C 13 17.90 0.1 . 1 . . . X 473 ALA CB . 19251 1 349 . 1 1 46 46 ALA N N 15 118.9 0.2 . 1 . . . X 473 ALA N . 19251 1 350 . 1 1 47 47 LYS H H 1 7.070 0.02 . 1 . . . X 474 LYS H . 19251 1 351 . 1 1 47 47 LYS HA H 1 4.166 0.02 . 1 . . . X 474 LYS HA . 19251 1 352 . 1 1 47 47 LYS HB2 H 1 1.984 0.02 . 1 . . . X 474 LYS HB2 . 19251 1 353 . 1 1 47 47 LYS HB3 H 1 1.984 0.02 . 1 . . . X 474 LYS HB3 . 19251 1 354 . 1 1 47 47 LYS HG2 H 1 1.623 0.02 . 2 . . . X 474 LYS HG2 . 19251 1 355 . 1 1 47 47 LYS HG3 H 1 1.534 0.02 . 2 . . . X 474 LYS HG3 . 19251 1 356 . 1 1 47 47 LYS HD2 H 1 1.755 0.02 . 1 . . . X 474 LYS HD2 . 19251 1 357 . 1 1 47 47 LYS HD3 H 1 1.755 0.02 . 1 . . . X 474 LYS HD3 . 19251 1 358 . 1 1 47 47 LYS CA C 13 59.88 0.1 . 1 . . . X 474 LYS CA . 19251 1 359 . 1 1 47 47 LYS CB C 13 33.38 0.1 . 1 . . . X 474 LYS CB . 19251 1 360 . 1 1 47 47 LYS CG C 13 26.17 0.1 . 1 . . . X 474 LYS CG . 19251 1 361 . 1 1 47 47 LYS N N 15 116.8 0.2 . 1 . . . X 474 LYS N . 19251 1 362 . 1 1 48 48 LEU H H 1 7.569 0.02 . 1 . . . X 475 LEU H . 19251 1 363 . 1 1 48 48 LEU HA H 1 4.079 0.02 . 1 . . . X 475 LEU HA . 19251 1 364 . 1 1 48 48 LEU HB2 H 1 1.814 0.02 . 2 . . . X 475 LEU HB2 . 19251 1 365 . 1 1 48 48 LEU HB3 H 1 1.685 0.02 . 2 . . . X 475 LEU HB3 . 19251 1 366 . 1 1 48 48 LEU HD11 H 1 0.9084 0.02 . 2 . . . X 475 LEU HD11 . 19251 1 367 . 1 1 48 48 LEU HD12 H 1 0.9084 0.02 . 2 . . . X 475 LEU HD12 . 19251 1 368 . 1 1 48 48 LEU HD13 H 1 0.9084 0.02 . 2 . . . X 475 LEU HD13 . 19251 1 369 . 1 1 48 48 LEU HD21 H 1 0.8708 0.02 . 2 . . . X 475 LEU HD21 . 19251 1 370 . 1 1 48 48 LEU HD22 H 1 0.8708 0.02 . 2 . . . X 475 LEU HD22 . 19251 1 371 . 1 1 48 48 LEU HD23 H 1 0.8708 0.02 . 2 . . . X 475 LEU HD23 . 19251 1 372 . 1 1 48 48 LEU CA C 13 58.98 0.1 . 1 . . . X 475 LEU CA . 19251 1 373 . 1 1 48 48 LEU CB C 13 43.39 0.1 . 1 . . . X 475 LEU CB . 19251 1 374 . 1 1 48 48 LEU CD1 C 13 26.18 0.1 . 2 . . . X 475 LEU CD1 . 19251 1 375 . 1 1 48 48 LEU CD2 C 13 25.24 0.1 . 2 . . . X 475 LEU CD2 . 19251 1 376 . 1 1 48 48 LEU N N 15 120.4 0.2 . 1 . . . X 475 LEU N . 19251 1 377 . 1 1 49 49 LEU H H 1 7.565 0.02 . 1 . . . X 476 LEU H . 19251 1 378 . 1 1 49 49 LEU HA H 1 3.968 0.02 . 1 . . . X 476 LEU HA . 19251 1 379 . 1 1 49 49 LEU HB2 H 1 1.378 0.02 . 2 . . . X 476 LEU HB2 . 19251 1 380 . 1 1 49 49 LEU HB3 H 1 0.7845 0.02 . 2 . . . X 476 LEU HB3 . 19251 1 381 . 1 1 49 49 LEU HG H 1 1.493 0.02 . 1 . . . X 476 LEU HG . 19251 1 382 . 1 1 49 49 LEU HD11 H 1 0.7225 0.02 . 2 . . . X 476 LEU HD11 . 19251 1 383 . 1 1 49 49 LEU HD12 H 1 0.7225 0.02 . 2 . . . X 476 LEU HD12 . 19251 1 384 . 1 1 49 49 LEU HD13 H 1 0.7225 0.02 . 2 . . . X 476 LEU HD13 . 19251 1 385 . 1 1 49 49 LEU HD21 H 1 0.6829 0.02 . 2 . . . X 476 LEU HD21 . 19251 1 386 . 1 1 49 49 LEU HD22 H 1 0.6829 0.02 . 2 . . . X 476 LEU HD22 . 19251 1 387 . 1 1 49 49 LEU HD23 H 1 0.6829 0.02 . 2 . . . X 476 LEU HD23 . 19251 1 388 . 1 1 49 49 LEU CA C 13 56.30 0.1 . 1 . . . X 476 LEU CA . 19251 1 389 . 1 1 49 49 LEU CB C 13 44.84 0.1 . 1 . . . X 476 LEU CB . 19251 1 390 . 1 1 49 49 LEU CG C 13 27.81 0.1 . 1 . . . X 476 LEU CG . 19251 1 391 . 1 1 49 49 LEU CD1 C 13 28.99 0.1 . 2 . . . X 476 LEU CD1 . 19251 1 392 . 1 1 49 49 LEU CD2 C 13 23.42 0.1 . 2 . . . X 476 LEU CD2 . 19251 1 393 . 1 1 49 49 LEU N N 15 117.1 0.2 . 1 . . . X 476 LEU N . 19251 1 394 . 1 1 50 50 GLY H H 1 7.797 0.02 . 1 . . . X 477 GLY H . 19251 1 395 . 1 1 50 50 GLY HA2 H 1 4.027 0.02 . 2 . . . X 477 GLY HA2 . 19251 1 396 . 1 1 50 50 GLY HA3 H 1 3.859 0.02 . 2 . . . X 477 GLY HA3 . 19251 1 397 . 1 1 50 50 GLY CA C 13 46.98 0.1 . 1 . . . X 477 GLY CA . 19251 1 398 . 1 1 50 50 GLY N N 15 108.1 0.2 . 1 . . . X 477 GLY N . 19251 1 399 . 1 1 51 51 TYR H H 1 8.081 0.02 . 1 . . . X 478 TYR H . 19251 1 400 . 1 1 51 51 TYR HA H 1 5.340 0.02 . 1 . . . X 478 TYR HA . 19251 1 401 . 1 1 51 51 TYR HB2 H 1 3.700 0.02 . 2 . . . X 478 TYR HB2 . 19251 1 402 . 1 1 51 51 TYR HB3 H 1 2.596 0.02 . 2 . . . X 478 TYR HB3 . 19251 1 403 . 1 1 51 51 TYR HD1 H 1 6.848 0.02 . 1 . . . X 478 TYR HD1 . 19251 1 404 . 1 1 51 51 TYR HD2 H 1 6.848 0.02 . 1 . . . X 478 TYR HD2 . 19251 1 405 . 1 1 51 51 TYR HE1 H 1 6.724 0.02 . 1 . . . X 478 TYR HE1 . 19251 1 406 . 1 1 51 51 TYR HE2 H 1 6.724 0.02 . 1 . . . X 478 TYR HE2 . 19251 1 407 . 1 1 51 51 TYR CA C 13 54.85 0.1 . 1 . . . X 478 TYR CA . 19251 1 408 . 1 1 51 51 TYR CB C 13 42.68 0.1 . 1 . . . X 478 TYR CB . 19251 1 409 . 1 1 51 51 TYR N N 15 119.7 0.2 . 1 . . . X 478 TYR N . 19251 1 410 . 1 1 52 52 THR H H 1 8.516 0.02 . 1 . . . X 479 THR H . 19251 1 411 . 1 1 52 52 THR HA H 1 4.528 0.02 . 1 . . . X 479 THR HA . 19251 1 412 . 1 1 52 52 THR HB H 1 4.749 0.02 . 1 . . . X 479 THR HB . 19251 1 413 . 1 1 52 52 THR HG21 H 1 1.347 0.02 . 1 . . . X 479 THR HG21 . 19251 1 414 . 1 1 52 52 THR HG22 H 1 1.347 0.02 . 1 . . . X 479 THR HG22 . 19251 1 415 . 1 1 52 52 THR HG23 H 1 1.347 0.02 . 1 . . . X 479 THR HG23 . 19251 1 416 . 1 1 52 52 THR CA C 13 61.88 0.1 . 1 . . . X 479 THR CA . 19251 1 417 . 1 1 52 52 THR CG2 C 13 22.97 0.1 . 1 . . . X 479 THR CG2 . 19251 1 418 . 1 1 52 52 THR N N 15 110.8 0.2 . 1 . . . X 479 THR N . 19251 1 419 . 1 1 53 53 LEU H H 1 8.847 0.02 . 1 . . . X 480 LEU H . 19251 1 420 . 1 1 53 53 LEU HA H 1 3.916 0.02 . 1 . . . X 480 LEU HA . 19251 1 421 . 1 1 53 53 LEU HB2 H 1 1.721 0.02 . 1 . . . X 480 LEU HB2 . 19251 1 422 . 1 1 53 53 LEU HB3 H 1 1.721 0.02 . 1 . . . X 480 LEU HB3 . 19251 1 423 . 1 1 53 53 LEU HG H 1 1.765 0.02 . 1 . . . X 480 LEU HG . 19251 1 424 . 1 1 53 53 LEU HD11 H 1 0.9204 0.02 . 2 . . . X 480 LEU HD11 . 19251 1 425 . 1 1 53 53 LEU HD12 H 1 0.9204 0.02 . 2 . . . X 480 LEU HD12 . 19251 1 426 . 1 1 53 53 LEU HD13 H 1 0.9204 0.02 . 2 . . . X 480 LEU HD13 . 19251 1 427 . 1 1 53 53 LEU HD21 H 1 0.8706 0.02 . 2 . . . X 480 LEU HD21 . 19251 1 428 . 1 1 53 53 LEU HD22 H 1 0.8706 0.02 . 2 . . . X 480 LEU HD22 . 19251 1 429 . 1 1 53 53 LEU HD23 H 1 0.8706 0.02 . 2 . . . X 480 LEU HD23 . 19251 1 430 . 1 1 53 53 LEU CA C 13 59.78 0.1 . 1 . . . X 480 LEU CA . 19251 1 431 . 1 1 53 53 LEU CB C 13 42.06 0.1 . 1 . . . X 480 LEU CB . 19251 1 432 . 1 1 53 53 LEU CG C 13 28.37 0.1 . 1 . . . X 480 LEU CG . 19251 1 433 . 1 1 53 53 LEU CD1 C 13 25.72 0.1 . 2 . . . X 480 LEU CD1 . 19251 1 434 . 1 1 53 53 LEU CD2 C 13 25.26 0.1 . 2 . . . X 480 LEU CD2 . 19251 1 435 . 1 1 53 53 LEU N N 15 123.5 0.2 . 1 . . . X 480 LEU N . 19251 1 436 . 1 1 54 54 ARG H H 1 8.280 0.02 . 1 . . . X 481 ARG H . 19251 1 437 . 1 1 54 54 ARG HA H 1 4.130 0.02 . 1 . . . X 481 ARG HA . 19251 1 438 . 1 1 54 54 ARG HB2 H 1 1.874 0.02 . 2 . . . X 481 ARG HB2 . 19251 1 439 . 1 1 54 54 ARG HB3 H 1 1.744 0.02 . 2 . . . X 481 ARG HB3 . 19251 1 440 . 1 1 54 54 ARG HG2 H 1 1.735 0.02 . 2 . . . X 481 ARG HG2 . 19251 1 441 . 1 1 54 54 ARG HG3 H 1 1.630 0.02 . 2 . . . X 481 ARG HG3 . 19251 1 442 . 1 1 54 54 ARG HD2 H 1 3.214 0.02 . 1 . . . X 481 ARG HD2 . 19251 1 443 . 1 1 54 54 ARG HD3 H 1 3.214 0.02 . 1 . . . X 481 ARG HD3 . 19251 1 444 . 1 1 54 54 ARG CA C 13 60.51 0.1 . 1 . . . X 481 ARG CA . 19251 1 445 . 1 1 54 54 ARG CB C 13 31.15 0.1 . 1 . . . X 481 ARG CB . 19251 1 446 . 1 1 54 54 ARG CG C 13 28.49 0.1 . 1 . . . X 481 ARG CG . 19251 1 447 . 1 1 54 54 ARG CD C 13 44.36 0.1 . 1 . . . X 481 ARG CD . 19251 1 448 . 1 1 54 54 ARG N N 15 118.2 0.2 . 1 . . . X 481 ARG N . 19251 1 449 . 1 1 55 55 GLN H H 1 7.773 0.02 . 1 . . . X 482 GLN H . 19251 1 450 . 1 1 55 55 GLN HA H 1 3.989 0.02 . 1 . . . X 482 GLN HA . 19251 1 451 . 1 1 55 55 GLN HB2 H 1 2.326 0.02 . 2 . . . X 482 GLN HB2 . 19251 1 452 . 1 1 55 55 GLN HB3 H 1 1.639 0.02 . 2 . . . X 482 GLN HB3 . 19251 1 453 . 1 1 55 55 GLN HG2 H 1 2.364 0.02 . 2 . . . X 482 GLN HG2 . 19251 1 454 . 1 1 55 55 GLN HG3 H 1 2.259 0.02 . 2 . . . X 482 GLN HG3 . 19251 1 455 . 1 1 55 55 GLN HE21 H 1 6.857 0.02 . 2 . . . X 482 GLN HE21 . 19251 1 456 . 1 1 55 55 GLN HE22 H 1 7.298 0.02 . 2 . . . X 482 GLN HE22 . 19251 1 457 . 1 1 55 55 GLN CA C 13 59.61 0.1 . 1 . . . X 482 GLN CA . 19251 1 458 . 1 1 55 55 GLN CB C 13 29.80 0.1 . 1 . . . X 482 GLN CB . 19251 1 459 . 1 1 55 55 GLN CG C 13 35.26 0.1 . 1 . . . X 482 GLN CG . 19251 1 460 . 1 1 55 55 GLN N N 15 120.1 0.2 . 1 . . . X 482 GLN N . 19251 1 461 . 1 1 55 55 GLN NE2 N 15 111.4 0.2 . 1 . . . X 482 GLN NE2 . 19251 1 462 . 1 1 56 56 LEU H H 1 8.362 0.02 . 1 . . . X 483 LEU H . 19251 1 463 . 1 1 56 56 LEU HA H 1 4.033 0.02 . 1 . . . X 483 LEU HA . 19251 1 464 . 1 1 56 56 LEU HB2 H 1 2.260 0.02 . 2 . . . X 483 LEU HB2 . 19251 1 465 . 1 1 56 56 LEU HB3 H 1 1.434 0.02 . 2 . . . X 483 LEU HB3 . 19251 1 466 . 1 1 56 56 LEU HG H 1 1.699 0.02 . 1 . . . X 483 LEU HG . 19251 1 467 . 1 1 56 56 LEU HD11 H 1 0.959 0.02 . 1 . . . X 483 LEU HD11 . 19251 1 468 . 1 1 56 56 LEU HD12 H 1 0.959 0.02 . 1 . . . X 483 LEU HD12 . 19251 1 469 . 1 1 56 56 LEU HD13 H 1 0.959 0.02 . 1 . . . X 483 LEU HD13 . 19251 1 470 . 1 1 56 56 LEU HD21 H 1 0.959 0.02 . 1 . . . X 483 LEU HD21 . 19251 1 471 . 1 1 56 56 LEU HD22 H 1 0.959 0.02 . 1 . . . X 483 LEU HD22 . 19251 1 472 . 1 1 56 56 LEU HD23 H 1 0.959 0.02 . 1 . . . X 483 LEU HD23 . 19251 1 473 . 1 1 56 56 LEU CA C 13 59.51 0.1 . 1 . . . X 483 LEU CA . 19251 1 474 . 1 1 56 56 LEU CB C 13 42.50 0.1 . 1 . . . X 483 LEU CB . 19251 1 475 . 1 1 56 56 LEU CD1 C 13 29.09 0.1 . 2 . . . X 483 LEU CD1 . 19251 1 476 . 1 1 56 56 LEU N N 15 121.0 0.2 . 1 . . . X 483 LEU N . 19251 1 477 . 1 1 57 57 ASP H H 1 8.776 0.02 . 1 . . . X 484 ASP H . 19251 1 478 . 1 1 57 57 ASP HA H 1 4.442 0.02 . 1 . . . X 484 ASP HA . 19251 1 479 . 1 1 57 57 ASP HB2 H 1 2.767 0.02 . 2 . . . X 484 ASP HB2 . 19251 1 480 . 1 1 57 57 ASP HB3 H 1 2.584 0.02 . 2 . . . X 484 ASP HB3 . 19251 1 481 . 1 1 57 57 ASP CA C 13 59.05 0.1 . 1 . . . X 484 ASP CA . 19251 1 482 . 1 1 57 57 ASP CB C 13 41.54 0.1 . 1 . . . X 484 ASP CB . 19251 1 483 . 1 1 57 57 ASP N N 15 120.8 0.2 . 1 . . . X 484 ASP N . 19251 1 484 . 1 1 58 58 TYR H H 1 8.033 0.02 . 1 . . . X 485 TYR H . 19251 1 485 . 1 1 58 58 TYR HA H 1 4.222 0.02 . 1 . . . X 485 TYR HA . 19251 1 486 . 1 1 58 58 TYR HB2 H 1 3.245 0.02 . 2 . . . X 485 TYR HB2 . 19251 1 487 . 1 1 58 58 TYR HB3 H 1 2.984 0.02 . 2 . . . X 485 TYR HB3 . 19251 1 488 . 1 1 58 58 TYR HD1 H 1 7.040 0.02 . 1 . . . X 485 TYR HD1 . 19251 1 489 . 1 1 58 58 TYR HD2 H 1 7.040 0.02 . 1 . . . X 485 TYR HD2 . 19251 1 490 . 1 1 58 58 TYR HE1 H 1 6.765 0.02 . 1 . . . X 485 TYR HE1 . 19251 1 491 . 1 1 58 58 TYR HE2 H 1 6.765 0.02 . 1 . . . X 485 TYR HE2 . 19251 1 492 . 1 1 58 58 TYR CA C 13 62.14 0.1 . 1 . . . X 485 TYR CA . 19251 1 493 . 1 1 58 58 TYR CB C 13 39.28 0.1 . 1 . . . X 485 TYR CB . 19251 1 494 . 1 1 58 58 TYR N N 15 119.9 0.2 . 1 . . . X 485 TYR N . 19251 1 495 . 1 1 59 59 ARG H H 1 7.625 0.02 . 1 . . . X 486 ARG H . 19251 1 496 . 1 1 59 59 ARG HA H 1 3.448 0.02 . 1 . . . X 486 ARG HA . 19251 1 497 . 1 1 59 59 ARG HB2 H 1 1.764 0.02 . 1 . . . X 486 ARG HB2 . 19251 1 498 . 1 1 59 59 ARG HB3 H 1 1.764 0.02 . 1 . . . X 486 ARG HB3 . 19251 1 499 . 1 1 59 59 ARG HG2 H 1 1.904 0.02 . 2 . . . X 486 ARG HG2 . 19251 1 500 . 1 1 59 59 ARG HG3 H 1 1.629 0.02 . 2 . . . X 486 ARG HG3 . 19251 1 501 . 1 1 59 59 ARG HD2 H 1 3.040 0.02 . 2 . . . X 486 ARG HD2 . 19251 1 502 . 1 1 59 59 ARG HD3 H 1 2.706 0.02 . 2 . . . X 486 ARG HD3 . 19251 1 503 . 1 1 59 59 ARG CA C 13 60.27 0.1 . 1 . . . X 486 ARG CA . 19251 1 504 . 1 1 59 59 ARG CB C 13 31.15 0.1 . 1 . . . X 486 ARG CB . 19251 1 505 . 1 1 59 59 ARG CG C 13 30.17 0.1 . 1 . . . X 486 ARG CG . 19251 1 506 . 1 1 59 59 ARG CD C 13 44.00 0.1 . 1 . . . X 486 ARG CD . 19251 1 507 . 1 1 59 59 ARG N N 15 119.5 0.2 . 1 . . . X 486 ARG N . 19251 1 508 . 1 1 60 60 ILE H H 1 8.779 0.02 . 1 . . . X 487 ILE H . 19251 1 509 . 1 1 60 60 ILE HA H 1 3.641 0.02 . 1 . . . X 487 ILE HA . 19251 1 510 . 1 1 60 60 ILE HB H 1 2.027 0.02 . 1 . . . X 487 ILE HB . 19251 1 511 . 1 1 60 60 ILE HG12 H 1 1.891 0.02 . 2 . . . X 487 ILE HG12 . 19251 1 512 . 1 1 60 60 ILE HG13 H 1 0.8869 0.02 . 2 . . . X 487 ILE HG13 . 19251 1 513 . 1 1 60 60 ILE HG21 H 1 1.011 0.02 . 1 . . . X 487 ILE HG21 . 19251 1 514 . 1 1 60 60 ILE HG22 H 1 1.011 0.02 . 1 . . . X 487 ILE HG22 . 19251 1 515 . 1 1 60 60 ILE HG23 H 1 1.011 0.02 . 1 . . . X 487 ILE HG23 . 19251 1 516 . 1 1 60 60 ILE HD11 H 1 0.9125 0.02 . 1 . . . X 487 ILE HD11 . 19251 1 517 . 1 1 60 60 ILE HD12 H 1 0.9125 0.02 . 1 . . . X 487 ILE HD12 . 19251 1 518 . 1 1 60 60 ILE HD13 H 1 0.9125 0.02 . 1 . . . X 487 ILE HD13 . 19251 1 519 . 1 1 60 60 ILE CA C 13 67.59 0.1 . 1 . . . X 487 ILE CA . 19251 1 520 . 1 1 60 60 ILE CB C 13 39.32 0.1 . 1 . . . X 487 ILE CB . 19251 1 521 . 1 1 60 60 ILE CG1 C 13 31.80 0.1 . 1 . . . X 487 ILE CG1 . 19251 1 522 . 1 1 60 60 ILE CG2 C 13 18.14 0.1 . 1 . . . X 487 ILE CG2 . 19251 1 523 . 1 1 60 60 ILE CD1 C 13 15.79 0.1 . 1 . . . X 487 ILE CD1 . 19251 1 524 . 1 1 60 60 ILE N N 15 121.1 0.2 . 1 . . . X 487 ILE N . 19251 1 525 . 1 1 61 61 LYS H H 1 7.396 0.02 . 1 . . . X 488 LYS H . 19251 1 526 . 1 1 61 61 LYS HA H 1 4.100 0.02 . 1 . . . X 488 LYS HA . 19251 1 527 . 1 1 61 61 LYS HB2 H 1 1.852 0.02 . 2 . . . X 488 LYS HB2 . 19251 1 528 . 1 1 61 61 LYS HB3 H 1 1.806 0.02 . 2 . . . X 488 LYS HB3 . 19251 1 529 . 1 1 61 61 LYS HG2 H 1 1.468 0.02 . 2 . . . X 488 LYS HG2 . 19251 1 530 . 1 1 61 61 LYS HG3 H 1 1.371 0.02 . 2 . . . X 488 LYS HG3 . 19251 1 531 . 1 1 61 61 LYS HD2 H 1 1.674 0.02 . 1 . . . X 488 LYS HD2 . 19251 1 532 . 1 1 61 61 LYS HD3 H 1 1.674 0.02 . 1 . . . X 488 LYS HD3 . 19251 1 533 . 1 1 61 61 LYS HE2 H 1 2.968 0.02 . 1 . . . X 488 LYS HE2 . 19251 1 534 . 1 1 61 61 LYS HE3 H 1 2.968 0.02 . 1 . . . X 488 LYS HE3 . 19251 1 535 . 1 1 61 61 LYS CA C 13 60.01 0.1 . 1 . . . X 488 LYS CA . 19251 1 536 . 1 1 61 61 LYS CB C 13 33.31 0.1 . 1 . . . X 488 LYS CB . 19251 1 537 . 1 1 61 61 LYS CG C 13 26.15 0.1 . 1 . . . X 488 LYS CG . 19251 1 538 . 1 1 61 61 LYS CD C 13 30.19 0.1 . 1 . . . X 488 LYS CD . 19251 1 539 . 1 1 61 61 LYS N N 15 118.6 0.2 . 1 . . . X 488 LYS N . 19251 1 540 . 1 1 62 62 LYS H H 1 8.209 0.02 . 1 . . . X 489 LYS H . 19251 1 541 . 1 1 62 62 LYS HA H 1 3.731 0.02 . 1 . . . X 489 LYS HA . 19251 1 542 . 1 1 62 62 LYS HB2 H 1 1.259 0.02 . 2 . . . X 489 LYS HB2 . 19251 1 543 . 1 1 62 62 LYS HB3 H 1 1.079 0.02 . 2 . . . X 489 LYS HB3 . 19251 1 544 . 1 1 62 62 LYS HG2 H 1 1.086 0.02 . 2 . . . X 489 LYS HG2 . 19251 1 545 . 1 1 62 62 LYS HG3 H 1 0.7127 0.02 . 2 . . . X 489 LYS HG3 . 19251 1 546 . 1 1 62 62 LYS HD2 H 1 1.393 0.02 . 2 . . . X 489 LYS HD2 . 19251 1 547 . 1 1 62 62 LYS HD3 H 1 1.097 0.02 . 2 . . . X 489 LYS HD3 . 19251 1 548 . 1 1 62 62 LYS HE2 H 1 2.843 0.02 . 1 . . . X 489 LYS HE2 . 19251 1 549 . 1 1 62 62 LYS HE3 H 1 2.843 0.02 . 1 . . . X 489 LYS HE3 . 19251 1 550 . 1 1 62 62 LYS CA C 13 60.13 0.1 . 1 . . . X 489 LYS CA . 19251 1 551 . 1 1 62 62 LYS CB C 13 34.04 0.1 . 1 . . . X 489 LYS CB . 19251 1 552 . 1 1 62 62 LYS CG C 13 25.51 0.1 . 1 . . . X 489 LYS CG . 19251 1 553 . 1 1 62 62 LYS CD C 13 30.61 0.1 . 1 . . . X 489 LYS CD . 19251 1 554 . 1 1 62 62 LYS CE C 13 43.11 0.1 . 1 . . . X 489 LYS CE . 19251 1 555 . 1 1 62 62 LYS N N 15 122.2 0.2 . 1 . . . X 489 LYS N . 19251 1 556 . 1 1 63 63 TYR H H 1 8.039 0.02 . 1 . . . X 490 TYR H . 19251 1 557 . 1 1 63 63 TYR HA H 1 4.852 0.02 . 1 . . . X 490 TYR HA . 19251 1 558 . 1 1 63 63 TYR HB2 H 1 3.265 0.02 . 2 . . . X 490 TYR HB2 . 19251 1 559 . 1 1 63 63 TYR HB3 H 1 2.807 0.02 . 2 . . . X 490 TYR HB3 . 19251 1 560 . 1 1 63 63 TYR HD1 H 1 7.057 0.02 . 1 . . . X 490 TYR HD1 . 19251 1 561 . 1 1 63 63 TYR HD2 H 1 7.057 0.02 . 1 . . . X 490 TYR HD2 . 19251 1 562 . 1 1 63 63 TYR HE1 H 1 6.750 0.02 . 1 . . . X 490 TYR HE1 . 19251 1 563 . 1 1 63 63 TYR HE2 H 1 6.750 0.02 . 1 . . . X 490 TYR HE2 . 19251 1 564 . 1 1 63 63 TYR CA C 13 57.11 0.1 . 1 . . . X 490 TYR CA . 19251 1 565 . 1 1 63 63 TYR CB C 13 39.24 0.1 . 1 . . . X 490 TYR CB . 19251 1 566 . 1 1 63 63 TYR N N 15 113.9 0.2 . 1 . . . X 490 TYR N . 19251 1 567 . 1 1 64 64 GLY H H 1 7.739 0.02 . 1 . . . X 491 GLY H . 19251 1 568 . 1 1 64 64 GLY HA2 H 1 3.953 0.02 . 2 . . . X 491 GLY HA2 . 19251 1 569 . 1 1 64 64 GLY HA3 H 1 3.862 0.02 . 2 . . . X 491 GLY HA3 . 19251 1 570 . 1 1 64 64 GLY CA C 13 48.39 0.1 . 1 . . . X 491 GLY CA . 19251 1 571 . 1 1 64 64 GLY N N 15 110.9 0.2 . 1 . . . X 491 GLY N . 19251 1 572 . 1 1 65 65 ILE H H 1 7.974 0.02 . 1 . . . X 492 ILE H . 19251 1 573 . 1 1 65 65 ILE HA H 1 3.863 0.02 . 1 . . . X 492 ILE HA . 19251 1 574 . 1 1 65 65 ILE HB H 1 1.795 0.02 . 1 . . . X 492 ILE HB . 19251 1 575 . 1 1 65 65 ILE HG12 H 1 1.703 0.02 . 2 . . . X 492 ILE HG12 . 19251 1 576 . 1 1 65 65 ILE HG13 H 1 1.073 0.02 . 2 . . . X 492 ILE HG13 . 19251 1 577 . 1 1 65 65 ILE HG21 H 1 0.8873 0.02 . 1 . . . X 492 ILE HG21 . 19251 1 578 . 1 1 65 65 ILE HG22 H 1 0.8873 0.02 . 1 . . . X 492 ILE HG22 . 19251 1 579 . 1 1 65 65 ILE HG23 H 1 0.8873 0.02 . 1 . . . X 492 ILE HG23 . 19251 1 580 . 1 1 65 65 ILE HD11 H 1 1.040 0.02 . 1 . . . X 492 ILE HD11 . 19251 1 581 . 1 1 65 65 ILE HD12 H 1 1.040 0.02 . 1 . . . X 492 ILE HD12 . 19251 1 582 . 1 1 65 65 ILE HD13 H 1 1.040 0.02 . 1 . . . X 492 ILE HD13 . 19251 1 583 . 1 1 65 65 ILE CA C 13 63.21 0.1 . 1 . . . X 492 ILE CA . 19251 1 584 . 1 1 65 65 ILE CB C 13 40.42 0.1 . 1 . . . X 492 ILE CB . 19251 1 585 . 1 1 65 65 ILE CG1 C 13 30.15 0.1 . 1 . . . X 492 ILE CG1 . 19251 1 586 . 1 1 65 65 ILE CG2 C 13 17.83 0.1 . 1 . . . X 492 ILE CG2 . 19251 1 587 . 1 1 65 65 ILE CD1 C 13 15.86 0.1 . 1 . . . X 492 ILE CD1 . 19251 1 588 . 1 1 65 65 ILE N N 15 121.3 0.2 . 1 . . . X 492 ILE N . 19251 1 589 . 1 1 66 66 GLU H H 1 8.645 0.02 . 1 . . . X 493 GLU H . 19251 1 590 . 1 1 66 66 GLU HA H 1 4.285 0.02 . 1 . . . X 493 GLU HA . 19251 1 591 . 1 1 66 66 GLU HB2 H 1 1.942 0.02 . 1 . . . X 493 GLU HB2 . 19251 1 592 . 1 1 66 66 GLU HB3 H 1 1.942 0.02 . 1 . . . X 493 GLU HB3 . 19251 1 593 . 1 1 66 66 GLU HG2 H 1 2.267 0.02 . 2 . . . X 493 GLU HG2 . 19251 1 594 . 1 1 66 66 GLU HG3 H 1 2.098 0.02 . 2 . . . X 493 GLU HG3 . 19251 1 595 . 1 1 66 66 GLU CA C 13 56.56 0.1 . 1 . . . X 493 GLU CA . 19251 1 596 . 1 1 66 66 GLU CB C 13 31.86 0.1 . 1 . . . X 493 GLU CB . 19251 1 597 . 1 1 66 66 GLU CG C 13 37.34 0.1 . 1 . . . X 493 GLU CG . 19251 1 598 . 1 1 66 66 GLU N N 15 129.0 0.2 . 1 . . . X 493 GLU N . 19251 1 599 . 1 1 67 67 LEU H H 1 8.535 0.02 . 1 . . . X 494 LEU H . 19251 1 600 . 1 1 67 67 LEU HA H 1 4.492 0.02 . 1 . . . X 494 LEU HA . 19251 1 601 . 1 1 67 67 LEU HB2 H 1 1.739 0.02 . 2 . . . X 494 LEU HB2 . 19251 1 602 . 1 1 67 67 LEU HB3 H 1 1.644 0.02 . 2 . . . X 494 LEU HB3 . 19251 1 603 . 1 1 67 67 LEU HG H 1 1.835 0.02 . 1 . . . X 494 LEU HG . 19251 1 604 . 1 1 67 67 LEU HD11 H 1 1.077 0.02 . 2 . . . X 494 LEU HD11 . 19251 1 605 . 1 1 67 67 LEU HD12 H 1 1.077 0.02 . 2 . . . X 494 LEU HD12 . 19251 1 606 . 1 1 67 67 LEU HD13 H 1 1.077 0.02 . 2 . . . X 494 LEU HD13 . 19251 1 607 . 1 1 67 67 LEU HD21 H 1 1.03 0.02 . 2 . . . X 494 LEU HD21 . 19251 1 608 . 1 1 67 67 LEU HD22 H 1 1.03 0.02 . 2 . . . X 494 LEU HD22 . 19251 1 609 . 1 1 67 67 LEU HD23 H 1 1.03 0.02 . 2 . . . X 494 LEU HD23 . 19251 1 610 . 1 1 67 67 LEU CA C 13 55.35 0.1 . 1 . . . X 494 LEU CA . 19251 1 611 . 1 1 67 67 LEU CB C 13 42.43 0.1 . 1 . . . X 494 LEU CB . 19251 1 612 . 1 1 67 67 LEU CG C 13 28.81 0.1 . 1 . . . X 494 LEU CG . 19251 1 613 . 1 1 67 67 LEU CD1 C 13 26.84 0.1 . 2 . . . X 494 LEU CD1 . 19251 1 614 . 1 1 67 67 LEU CD2 C 13 25.13 0.1 . 2 . . . X 494 LEU CD2 . 19251 1 615 . 1 1 67 67 LEU N N 15 125.6 0.2 . 1 . . . X 494 LEU N . 19251 1 616 . 1 1 68 68 LYS H H 1 6.202 0.02 . 1 . . . X 495 LYS H . 19251 1 617 . 1 1 68 68 LYS HA H 1 3.991 0.02 . 1 . . . X 495 LYS HA . 19251 1 618 . 1 1 68 68 LYS HB2 H 1 1.258 0.02 . 2 . . . X 495 LYS HB2 . 19251 1 619 . 1 1 68 68 LYS HB3 H 1 0.7688 0.02 . 2 . . . X 495 LYS HB3 . 19251 1 620 . 1 1 68 68 LYS HG2 H 1 0.9721 0.02 . 1 . . . X 495 LYS HG2 . 19251 1 621 . 1 1 68 68 LYS HG3 H 1 0.9721 0.02 . 1 . . . X 495 LYS HG3 . 19251 1 622 . 1 1 68 68 LYS HD2 H 1 1.480 0.02 . 1 . . . X 495 LYS HD2 . 19251 1 623 . 1 1 68 68 LYS HD3 H 1 1.480 0.02 . 1 . . . X 495 LYS HD3 . 19251 1 624 . 1 1 68 68 LYS HE2 H 1 2.836 0.02 . 1 . . . X 495 LYS HE2 . 19251 1 625 . 1 1 68 68 LYS HE3 H 1 2.836 0.02 . 1 . . . X 495 LYS HE3 . 19251 1 626 . 1 1 68 68 LYS CA C 13 56.85 0.1 . 1 . . . X 495 LYS CA . 19251 1 627 . 1 1 68 68 LYS CB C 13 34.55 0.1 . 1 . . . X 495 LYS CB . 19251 1 628 . 1 1 68 68 LYS CG C 13 26.13 0.1 . 1 . . . X 495 LYS CG . 19251 1 629 . 1 1 68 68 LYS CD C 13 30.24 0.1 . 1 . . . X 495 LYS CD . 19251 1 630 . 1 1 68 68 LYS CE C 13 43.07 0.1 . 1 . . . X 495 LYS CE . 19251 1 631 . 1 1 68 68 LYS N N 15 123.1 0.2 . 1 . . . X 495 LYS N . 19251 1 632 . 1 1 69 69 LYS H H 1 7.926 0.02 . 1 . . . X 496 LYS H . 19251 1 633 . 1 1 69 69 LYS HA H 1 4.228 0.02 . 1 . . . X 496 LYS HA . 19251 1 634 . 1 1 69 69 LYS HB2 H 1 1.716 0.02 . 2 . . . X 496 LYS HB2 . 19251 1 635 . 1 1 69 69 LYS HB3 H 1 1.561 0.02 . 2 . . . X 496 LYS HB3 . 19251 1 636 . 1 1 69 69 LYS HG2 H 1 1.313 0.02 . 1 . . . X 496 LYS HG2 . 19251 1 637 . 1 1 69 69 LYS HG3 H 1 1.313 0.02 . 1 . . . X 496 LYS HG3 . 19251 1 638 . 1 1 69 69 LYS HD2 H 1 1.641 0.02 . 1 . . . X 496 LYS HD2 . 19251 1 639 . 1 1 69 69 LYS HD3 H 1 1.641 0.02 . 1 . . . X 496 LYS HD3 . 19251 1 640 . 1 1 69 69 LYS HE2 H 1 2.966 0.02 . 1 . . . X 496 LYS HE2 . 19251 1 641 . 1 1 69 69 LYS HE3 H 1 2.966 0.02 . 1 . . . X 496 LYS HE3 . 19251 1 642 . 1 1 69 69 LYS CA C 13 56.82 0.1 . 1 . . . X 496 LYS CA . 19251 1 643 . 1 1 69 69 LYS CB C 13 34.61 0.1 . 1 . . . X 496 LYS CB . 19251 1 644 . 1 1 69 69 LYS CG C 13 25.82 0.1 . 1 . . . X 496 LYS CG . 19251 1 645 . 1 1 69 69 LYS CD C 13 29.91 0.1 . 1 . . . X 496 LYS CD . 19251 1 646 . 1 1 69 69 LYS CE C 13 43.03 0.1 . 1 . . . X 496 LYS CE . 19251 1 647 . 1 1 69 69 LYS N N 15 122.3 0.2 . 1 . . . X 496 LYS N . 19251 1 648 . 1 1 70 70 PHE H H 1 7.836 0.02 . 1 . . . X 497 PHE H . 19251 1 649 . 1 1 70 70 PHE HA H 1 4.412 0.02 . 1 . . . X 497 PHE HA . 19251 1 650 . 1 1 70 70 PHE HB2 H 1 3.198 0.02 . 2 . . . X 497 PHE HB2 . 19251 1 651 . 1 1 70 70 PHE HB3 H 1 2.908 0.02 . 2 . . . X 497 PHE HB3 . 19251 1 652 . 1 1 70 70 PHE HD1 H 1 7.225 0.02 . 1 . . . X 497 PHE HD1 . 19251 1 653 . 1 1 70 70 PHE HD2 H 1 7.225 0.02 . 1 . . . X 497 PHE HD2 . 19251 1 654 . 1 1 70 70 PHE HE1 H 1 7.049 0.02 . 1 . . . X 497 PHE HE1 . 19251 1 655 . 1 1 70 70 PHE HE2 H 1 7.049 0.02 . 1 . . . X 497 PHE HE2 . 19251 1 656 . 1 1 70 70 PHE CA C 13 60.12 0.1 . 1 . . . X 497 PHE CA . 19251 1 657 . 1 1 70 70 PHE CB C 13 41.81 0.1 . 1 . . . X 497 PHE CB . 19251 1 658 . 1 1 70 70 PHE N N 15 127.6 0.2 . 1 . . . X 497 PHE N . 19251 1 stop_ save_