data_15710 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15710 _Entry.Title ; Structural Basis of PxxDY Motif Recognition in SH3 Binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-02 _Entry.Accession_date 2008-04-02 _Entry.Last_release_date 2008-08-28 _Entry.Original_release_date 2008-08-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Olli Aitio . . . 15710 2 Maarit Hellman . . . 15710 3 Tapio Kesti . . . 15710 4 Iivari Kleino . . . 15710 5 Olga Samuilova . . . 15710 6 Helena Tossavainen . . . 15710 7 Kalle Saksela . . . 15710 8 Perttu Permi . . . 15710 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 . 'not applicable' 'not applicable' . 15710 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 15710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 15710 '15N chemical shifts' 62 15710 '1H chemical shifts' 452 15710 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 . . 2008-08-28 2008-04-02 original author . 15710 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K2M 'BMRB Entry Tracking System' 15710 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15710 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18644376 _Citation.Full_citation . _Citation.Title 'Structural basis of PxxDY motif recognition in SH3 binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 382 _Citation.Journal_issue 1 _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 167 _Citation.Page_last 178 _Citation.Year 2008 _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 Olli Aitio . . . 15710 1 2 Maarit Hellman . . . 15710 1 3 Tapio Kesti . . . 15710 1 4 Iivari Kleino . . . 15710 1 5 Olga Samuilova . . . 15710 1 6 Kimmo Paakkonen . . . 15710 1 7 Helena Tossavainen . . . 15710 1 8 Kalle Saksela . . . 15710 1 9 Perttu Permi . . . 15710 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15710 _Assembly.ID 1 _Assembly.Name Eps8L1SH3 _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 'component 1' 1 $Eps8L1SH3 A . yes native yes no . . . 15710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Eps8L1SH3 _Entity.Sf_category entity _Entity.Sf_framecode Eps8L1SH3 _Entity.Entry_ID 15710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Eps8L1SH3 _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 ; GPLGSGALKWVLCNYDFQAR NSSELSVKQRDVLEVLDDSR KWWKVRDPAGQEGYVPYNIL TPYPAAAS ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K2M . "Structural Basis Of Pxxdy Motif Recognition In Sh3 Binding" . . . . . 100.00 68 100.00 100.00 3.28e-41 . . . . 15710 1 2 no DBJ BAA91041 . "unnamed protein product [Homo sapiens]" . . . . . 85.29 596 98.28 98.28 4.05e-31 . . . . 15710 1 3 no DBJ BAC11399 . "unnamed protein product [Homo sapiens]" . . . . . 85.29 723 98.28 98.28 8.27e-31 . . . . 15710 1 4 no DBJ BAG59319 . "unnamed protein product [Homo sapiens]" . . . . . 85.29 659 98.28 98.28 6.68e-31 . . . . 15710 1 5 no GB AAG03038 . "DRC3 [Homo sapiens]" . . . . . 85.29 437 98.28 98.28 7.52e-31 . . . . 15710 1 6 no GB AAG03039 . "DRC3 [Homo sapiens]" . . . . . 85.29 437 98.28 98.28 7.52e-31 . . . . 15710 1 7 no GB AAH15763 . "EPS8-like 1 [Homo sapiens]" . . . . . 85.29 596 98.28 98.28 4.01e-31 . . . . 15710 1 8 no GB AAL76117 . "epidermal growth factor receptor pathway substrate 8 related protein 1 [Homo sapiens]" . . . . . 85.29 723 98.28 98.28 7.87e-31 . . . . 15710 1 9 no GB AAQ15231 . "PP10566 [Homo sapiens]" . . . . . 85.29 723 98.28 98.28 8.19e-31 . . . . 15710 1 10 no REF NP_060199 . "epidermal growth factor receptor kinase substrate 8-like protein 1 isoform b [Homo sapiens]" . . . . . 85.29 596 98.28 98.28 4.01e-31 . . . . 15710 1 11 no REF NP_573441 . "epidermal growth factor receptor kinase substrate 8-like protein 1 isoform a [Homo sapiens]" . . . . . 85.29 723 98.28 98.28 8.52e-31 . . . . 15710 1 12 no REF XP_005259077 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 1 isoform X1 [Homo sapiens]" . . . . . 85.29 755 98.28 98.28 9.90e-31 . . . . 15710 1 13 no REF XP_011525352 . "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 1 isoform X2 [Homo sapiens]" . . . . . 85.29 628 98.28 98.28 6.56e-31 . . . . 15710 1 14 no SP Q8TE68 . "RecName: Full=Epidermal growth factor receptor kinase substrate 8-like protein 1; Short=EPS8-like protein 1; AltName: Full=Epid" . . . . . 85.29 723 98.28 98.28 8.52e-31 . . . . 15710 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 1 473 GLY . 15710 1 2 474 PRO . 15710 1 3 475 LEU . 15710 1 4 476 GLY . 15710 1 5 477 SER . 15710 1 6 478 GLY . 15710 1 7 479 ALA . 15710 1 8 480 LEU . 15710 1 9 481 LYS . 15710 1 10 482 TRP . 15710 1 11 483 VAL . 15710 1 12 484 LEU . 15710 1 13 485 CYS . 15710 1 14 486 ASN . 15710 1 15 487 TYR . 15710 1 16 488 ASP . 15710 1 17 489 PHE . 15710 1 18 490 GLN . 15710 1 19 491 ALA . 15710 1 20 492 ARG . 15710 1 21 493 ASN . 15710 1 22 494 SER . 15710 1 23 495 SER . 15710 1 24 496 GLU . 15710 1 25 497 LEU . 15710 1 26 498 SER . 15710 1 27 499 VAL . 15710 1 28 500 LYS . 15710 1 29 501 GLN . 15710 1 30 502 ARG . 15710 1 31 503 ASP . 15710 1 32 504 VAL . 15710 1 33 505 LEU . 15710 1 34 506 GLU . 15710 1 35 507 VAL . 15710 1 36 508 LEU . 15710 1 37 509 ASP . 15710 1 38 510 ASP . 15710 1 39 511 SER . 15710 1 40 512 ARG . 15710 1 41 513 LYS . 15710 1 42 514 TRP . 15710 1 43 515 TRP . 15710 1 44 516 LYS . 15710 1 45 517 VAL . 15710 1 46 518 ARG . 15710 1 47 519 ASP . 15710 1 48 520 PRO . 15710 1 49 521 ALA . 15710 1 50 522 GLY . 15710 1 51 523 GLN . 15710 1 52 524 GLU . 15710 1 53 525 GLY . 15710 1 54 526 TYR . 15710 1 55 527 VAL . 15710 1 56 528 PRO . 15710 1 57 529 TYR . 15710 1 58 530 ASN . 15710 1 59 531 ILE . 15710 1 60 532 LEU . 15710 1 61 533 THR . 15710 1 62 534 PRO . 15710 1 63 535 TYR . 15710 1 64 536 PRO . 15710 1 65 537 ALA . 15710 1 66 538 ALA . 15710 1 67 539 ALA . 15710 1 68 540 SER . 15710 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15710 1 . PRO 2 2 15710 1 . LEU 3 3 15710 1 . GLY 4 4 15710 1 . SER 5 5 15710 1 . GLY 6 6 15710 1 . ALA 7 7 15710 1 . LEU 8 8 15710 1 . LYS 9 9 15710 1 . TRP 10 10 15710 1 . VAL 11 11 15710 1 . LEU 12 12 15710 1 . CYS 13 13 15710 1 . ASN 14 14 15710 1 . TYR 15 15 15710 1 . ASP 16 16 15710 1 . PHE 17 17 15710 1 . GLN 18 18 15710 1 . ALA 19 19 15710 1 . ARG 20 20 15710 1 . ASN 21 21 15710 1 . SER 22 22 15710 1 . SER 23 23 15710 1 . GLU 24 24 15710 1 . LEU 25 25 15710 1 . SER 26 26 15710 1 . VAL 27 27 15710 1 . LYS 28 28 15710 1 . GLN 29 29 15710 1 . ARG 30 30 15710 1 . ASP 31 31 15710 1 . VAL 32 32 15710 1 . LEU 33 33 15710 1 . GLU 34 34 15710 1 . VAL 35 35 15710 1 . LEU 36 36 15710 1 . ASP 37 37 15710 1 . ASP 38 38 15710 1 . SER 39 39 15710 1 . ARG 40 40 15710 1 . LYS 41 41 15710 1 . TRP 42 42 15710 1 . TRP 43 43 15710 1 . LYS 44 44 15710 1 . VAL 45 45 15710 1 . ARG 46 46 15710 1 . ASP 47 47 15710 1 . PRO 48 48 15710 1 . ALA 49 49 15710 1 . GLY 50 50 15710 1 . GLN 51 51 15710 1 . GLU 52 52 15710 1 . GLY 53 53 15710 1 . TYR 54 54 15710 1 . VAL 55 55 15710 1 . PRO 56 56 15710 1 . TYR 57 57 15710 1 . ASN 58 58 15710 1 . ILE 59 59 15710 1 . LEU 60 60 15710 1 . THR 61 61 15710 1 . PRO 62 62 15710 1 . TYR 63 63 15710 1 . PRO 64 64 15710 1 . ALA 65 65 15710 1 . ALA 66 66 15710 1 . ALA 67 67 15710 1 . SER 68 68 15710 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 15710 _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 $Eps8L1SH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15710 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 15710 _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 $Eps8L1SH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6P . . . . . . 15710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15710 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Eps8L1SH3 '[U-13C; U-15N]' . . 1 $Eps8L1SH3 . . 0.8 . . mM . . . . 15710 1 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 15710 _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 pH 7.5 . pH 15710 1 pressure 1 . atm 15710 1 temperature 298 . K 15710 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15710 _Software.ID 1 _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' . . 15710 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15710 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15710 _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 . . 15710 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15710 2 'data analysis' 15710 2 'peak picking' 15710 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15710 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15710 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15710 3 processing 15710 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15710 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15710 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15710 4 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 15710 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15710 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15710 _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 Varian INOVA . 800 . . . 15710 1 2 spectrometer_2 Varian INOVA . 600 . . . 15710 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 15710 _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 . . . . . . . . . . . . . . . . . . . . . 15710 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 7 '3D iHNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 8 '3D iHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 10 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 12 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 1 13 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15710 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 15710 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; For the 13C axis, we calculated the position of the transmitter using the DSS indirect shift ratio and ended up with this value of 175.571 ppm, in the carbonyl carbon region of the protein 13C spectrum. The midpoint of the aliphatic 13C spectrum is at 118 or 128 ppms from this value, depending on the spectrum. For the 15N axis, we calculated the midpoint of the 15N spectrum from the 1H midpoint using the indirect shift ratio of liquid ammonia, 0.101329118. ; 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 0.25144953 . . . . . . . . . 15710 1 H 1 water protons . . . . ppm 4.793 internal direct 1 . . . . . . . . . 15710 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15710 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 15710 _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' . . . 15710 1 2 '2D 1H-13C HSQC' . . . 15710 1 3 '3D HNCA' . . . 15710 1 4 '3D HN(CO)CA' . . . 15710 1 5 '3D HNCACB' . . . 15710 1 6 '3D CBCA(CO)NH' . . . 15710 1 7 '3D iHNCACB' . . . 15710 1 8 '3D iHNCA' . . . 15710 1 9 '3D HCCH-COSY' . . . 15710 1 10 '3D CC(CO)NH' . . . 15710 1 11 '3D H(CCO)NH' . . . 15710 1 12 '2D (HB)CB(CGCD)HD' . . . 15710 1 13 '2D (HB)CB(CGCDCE)HE' . . . 15710 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 2 2 PRO HA H 1 4.474 0.020 . 1 . . . . 474 PRO HA . 15710 1 2 . 1 1 2 2 PRO HB2 H 1 2.292 0.020 . 2 . . . . 474 PRO HB2 . 15710 1 3 . 1 1 2 2 PRO HB3 H 1 1.937 0.020 . 2 . . . . 474 PRO HB3 . 15710 1 4 . 1 1 2 2 PRO HD2 H 1 3.563 0.020 . 1 . . . . 474 PRO HD2 . 15710 1 5 . 1 1 2 2 PRO HD3 H 1 3.563 0.020 . 1 . . . . 474 PRO HD3 . 15710 1 6 . 1 1 2 2 PRO HG2 H 1 1.995 0.020 . 1 . . . . 474 PRO HG2 . 15710 1 7 . 1 1 2 2 PRO HG3 H 1 1.995 0.020 . 1 . . . . 474 PRO HG3 . 15710 1 8 . 1 1 2 2 PRO CA C 13 63.244 0.200 . 1 . . . . 474 PRO CA . 15710 1 9 . 1 1 2 2 PRO CB C 13 32.451 0.200 . 1 . . . . 474 PRO CB . 15710 1 10 . 1 1 2 2 PRO CD C 13 49.708 0.200 . 1 . . . . 474 PRO CD . 15710 1 11 . 1 1 2 2 PRO CG C 13 27.256 0.200 . 1 . . . . 474 PRO CG . 15710 1 12 . 1 1 3 3 LEU H H 1 8.484 0.020 . 1 . . . . 475 LEU H . 15710 1 13 . 1 1 3 3 LEU HA H 1 4.331 0.020 . 1 . . . . 475 LEU HA . 15710 1 14 . 1 1 3 3 LEU HB2 H 1 1.667 0.020 . 2 . . . . 475 LEU HB2 . 15710 1 15 . 1 1 3 3 LEU HB3 H 1 1.582 0.020 . 2 . . . . 475 LEU HB3 . 15710 1 16 . 1 1 3 3 LEU HD11 H 1 0.861 0.020 . 1 . . . . 475 LEU HD1 . 15710 1 17 . 1 1 3 3 LEU HD12 H 1 0.861 0.020 . 1 . . . . 475 LEU HD1 . 15710 1 18 . 1 1 3 3 LEU HD13 H 1 0.861 0.020 . 1 . . . . 475 LEU HD1 . 15710 1 19 . 1 1 3 3 LEU HD21 H 1 0.861 0.020 . 1 . . . . 475 LEU HD2 . 15710 1 20 . 1 1 3 3 LEU HD22 H 1 0.861 0.020 . 1 . . . . 475 LEU HD2 . 15710 1 21 . 1 1 3 3 LEU HD23 H 1 0.861 0.020 . 1 . . . . 475 LEU HD2 . 15710 1 22 . 1 1 3 3 LEU CA C 13 55.502 0.200 . 1 . . . . 475 LEU CA . 15710 1 23 . 1 1 3 3 LEU CB C 13 42.413 0.200 . 1 . . . . 475 LEU CB . 15710 1 24 . 1 1 3 3 LEU CD1 C 13 24.798 0.200 . 2 . . . . 475 LEU CD1 . 15710 1 25 . 1 1 3 3 LEU CD2 C 13 23.471 0.200 . 2 . . . . 475 LEU CD2 . 15710 1 26 . 1 1 3 3 LEU CG C 13 27.067 0.200 . 1 . . . . 475 LEU CG . 15710 1 27 . 1 1 3 3 LEU N N 15 122.189 0.200 . 1 . . . . 475 LEU N . 15710 1 28 . 1 1 4 4 GLY H H 1 8.375 0.020 . 1 . . . . 476 GLY H . 15710 1 29 . 1 1 4 4 GLY CA C 13 45.322 0.200 . 1 . . . . 476 GLY CA . 15710 1 30 . 1 1 4 4 GLY N N 15 110.000 0.200 . 1 . . . . 476 GLY N . 15710 1 31 . 1 1 6 6 GLY HA2 H 1 3.982 0.020 . 1 . . . . 478 GLY HA2 . 15710 1 32 . 1 1 6 6 GLY HA3 H 1 3.982 0.020 . 1 . . . . 478 GLY HA3 . 15710 1 33 . 1 1 6 6 GLY CA C 13 45.336 0.200 . 1 . . . . 478 GLY CA . 15710 1 34 . 1 1 7 7 ALA H H 1 8.026 0.020 . 1 . . . . 479 ALA H . 15710 1 35 . 1 1 7 7 ALA HA H 1 4.314 0.020 . 1 . . . . 479 ALA HA . 15710 1 36 . 1 1 7 7 ALA HB1 H 1 1.310 0.020 . 1 . . . . 479 ALA HB . 15710 1 37 . 1 1 7 7 ALA HB2 H 1 1.310 0.020 . 1 . . . . 479 ALA HB . 15710 1 38 . 1 1 7 7 ALA HB3 H 1 1.310 0.020 . 1 . . . . 479 ALA HB . 15710 1 39 . 1 1 7 7 ALA CA C 13 52.345 0.200 . 1 . . . . 479 ALA CA . 15710 1 40 . 1 1 7 7 ALA CB C 13 19.795 0.200 . 1 . . . . 479 ALA CB . 15710 1 41 . 1 1 7 7 ALA N N 15 123.184 0.200 . 1 . . . . 479 ALA N . 15710 1 42 . 1 1 8 8 LEU H H 1 8.230 0.020 . 1 . . . . 480 LEU H . 15710 1 43 . 1 1 8 8 LEU HA H 1 4.308 0.020 . 1 . . . . 480 LEU HA . 15710 1 44 . 1 1 8 8 LEU HB2 H 1 1.554 0.020 . 2 . . . . 480 LEU HB2 . 15710 1 45 . 1 1 8 8 LEU HB3 H 1 1.334 0.020 . 2 . . . . 480 LEU HB3 . 15710 1 46 . 1 1 8 8 LEU HD11 H 1 0.891 0.020 . 1 . . . . 480 LEU HD1 . 15710 1 47 . 1 1 8 8 LEU HD12 H 1 0.891 0.020 . 1 . . . . 480 LEU HD1 . 15710 1 48 . 1 1 8 8 LEU HD13 H 1 0.891 0.020 . 1 . . . . 480 LEU HD1 . 15710 1 49 . 1 1 8 8 LEU HD21 H 1 0.891 0.020 . 1 . . . . 480 LEU HD2 . 15710 1 50 . 1 1 8 8 LEU HD22 H 1 0.891 0.020 . 1 . . . . 480 LEU HD2 . 15710 1 51 . 1 1 8 8 LEU HD23 H 1 0.891 0.020 . 1 . . . . 480 LEU HD2 . 15710 1 52 . 1 1 8 8 LEU HG H 1 1.584 0.020 . 1 . . . . 480 LEU HG . 15710 1 53 . 1 1 8 8 LEU CA C 13 55.216 0.200 . 1 . . . . 480 LEU CA . 15710 1 54 . 1 1 8 8 LEU CB C 13 42.655 0.200 . 1 . . . . 480 LEU CB . 15710 1 55 . 1 1 8 8 LEU CD1 C 13 25.185 0.200 . 2 . . . . 480 LEU CD1 . 15710 1 56 . 1 1 8 8 LEU CD2 C 13 23.432 0.200 . 2 . . . . 480 LEU CD2 . 15710 1 57 . 1 1 8 8 LEU CG C 13 27.340 0.200 . 1 . . . . 480 LEU CG . 15710 1 58 . 1 1 8 8 LEU N N 15 121.391 0.200 . 1 . . . . 480 LEU N . 15710 1 59 . 1 1 9 9 LYS H H 1 8.116 0.020 . 1 . . . . 481 LYS H . 15710 1 60 . 1 1 9 9 LYS HA H 1 4.398 0.020 . 1 . . . . 481 LYS HA . 15710 1 61 . 1 1 9 9 LYS HB2 H 1 1.704 0.020 . 1 . . . . 481 LYS HB2 . 15710 1 62 . 1 1 9 9 LYS HB3 H 1 1.704 0.020 . 1 . . . . 481 LYS HB3 . 15710 1 63 . 1 1 9 9 LYS HD2 H 1 1.539 0.020 . 1 . . . . 481 LYS HD2 . 15710 1 64 . 1 1 9 9 LYS HD3 H 1 1.539 0.020 . 1 . . . . 481 LYS HD3 . 15710 1 65 . 1 1 9 9 LYS HE2 H 1 2.785 0.020 . 1 . . . . 481 LYS HE2 . 15710 1 66 . 1 1 9 9 LYS HE3 H 1 2.785 0.020 . 1 . . . . 481 LYS HE3 . 15710 1 67 . 1 1 9 9 LYS HG2 H 1 1.208 0.020 . 2 . . . . 481 LYS HG2 . 15710 1 68 . 1 1 9 9 LYS HG3 H 1 1.062 0.020 . 2 . . . . 481 LYS HG3 . 15710 1 69 . 1 1 9 9 LYS CA C 13 56.164 0.200 . 1 . . . . 481 LYS CA . 15710 1 70 . 1 1 9 9 LYS CB C 13 34.254 0.200 . 1 . . . . 481 LYS CB . 15710 1 71 . 1 1 9 9 LYS CD C 13 29.297 0.200 . 1 . . . . 481 LYS CD . 15710 1 72 . 1 1 9 9 LYS CE C 13 42.108 0.200 . 1 . . . . 481 LYS CE . 15710 1 73 . 1 1 9 9 LYS CG C 13 24.560 0.200 . 1 . . . . 481 LYS CG . 15710 1 74 . 1 1 9 9 LYS N N 15 120.643 0.200 . 1 . . . . 481 LYS N . 15710 1 75 . 1 1 10 10 TRP H H 1 8.341 0.020 . 1 . . . . 482 TRP H . 15710 1 76 . 1 1 10 10 TRP HA H 1 5.723 0.020 . 1 . . . . 482 TRP HA . 15710 1 77 . 1 1 10 10 TRP HB2 H 1 3.246 0.020 . 2 . . . . 482 TRP HB2 . 15710 1 78 . 1 1 10 10 TRP HB3 H 1 3.126 0.020 . 2 . . . . 482 TRP HB3 . 15710 1 79 . 1 1 10 10 TRP HD1 H 1 7.151 0.020 . 1 . . . . 482 TRP HD1 . 15710 1 80 . 1 1 10 10 TRP HE1 H 1 10.103 0.020 . 1 . . . . 482 TRP HE1 . 15710 1 81 . 1 1 10 10 TRP HE3 H 1 7.423 0.020 . 1 . . . . 482 TRP HE3 . 15710 1 82 . 1 1 10 10 TRP HH2 H 1 7.157 0.020 . 1 . . . . 482 TRP HH2 . 15710 1 83 . 1 1 10 10 TRP HZ2 H 1 7.416 0.020 . 1 . . . . 482 TRP HZ2 . 15710 1 84 . 1 1 10 10 TRP HZ3 H 1 7.110 0.020 . 1 . . . . 482 TRP HZ3 . 15710 1 85 . 1 1 10 10 TRP CA C 13 55.880 0.200 . 1 . . . . 482 TRP CA . 15710 1 86 . 1 1 10 10 TRP CB C 13 32.599 0.200 . 1 . . . . 482 TRP CB . 15710 1 87 . 1 1 10 10 TRP CD1 C 13 126.753 0.200 . 1 . . . . 482 TRP CD1 . 15710 1 88 . 1 1 10 10 TRP CE3 C 13 120.437 0.200 . 1 . . . . 482 TRP CE3 . 15710 1 89 . 1 1 10 10 TRP CH2 C 13 124.256 0.200 . 1 . . . . 482 TRP CH2 . 15710 1 90 . 1 1 10 10 TRP CZ2 C 13 114.378 0.200 . 1 . . . . 482 TRP CZ2 . 15710 1 91 . 1 1 10 10 TRP CZ3 C 13 121.844 0.200 . 1 . . . . 482 TRP CZ3 . 15710 1 92 . 1 1 10 10 TRP N N 15 120.701 0.200 . 1 . . . . 482 TRP N . 15710 1 93 . 1 1 10 10 TRP NE1 N 15 128.684 0.200 . 1 . . . . 482 TRP NE1 . 15710 1 94 . 1 1 11 11 VAL H H 1 9.440 0.020 . 1 . . . . 483 VAL H . 15710 1 95 . 1 1 11 11 VAL HA H 1 5.232 0.020 . 1 . . . . 483 VAL HA . 15710 1 96 . 1 1 11 11 VAL HB H 1 2.206 0.020 . 1 . . . . 483 VAL HB . 15710 1 97 . 1 1 11 11 VAL HG11 H 1 1.019 0.020 . 1 . . . . 483 VAL HG1 . 15710 1 98 . 1 1 11 11 VAL HG12 H 1 1.019 0.020 . 1 . . . . 483 VAL HG1 . 15710 1 99 . 1 1 11 11 VAL HG13 H 1 1.019 0.020 . 1 . . . . 483 VAL HG1 . 15710 1 100 . 1 1 11 11 VAL HG21 H 1 0.934 0.020 . 1 . . . . 483 VAL HG2 . 15710 1 101 . 1 1 11 11 VAL HG22 H 1 0.934 0.020 . 1 . . . . 483 VAL HG2 . 15710 1 102 . 1 1 11 11 VAL HG23 H 1 0.934 0.020 . 1 . . . . 483 VAL HG2 . 15710 1 103 . 1 1 11 11 VAL CA C 13 59.037 0.200 . 1 . . . . 483 VAL CA . 15710 1 104 . 1 1 11 11 VAL CB C 13 36.491 0.200 . 1 . . . . 483 VAL CB . 15710 1 105 . 1 1 11 11 VAL CG1 C 13 23.325 0.200 . 1 . . . . 483 VAL CG1 . 15710 1 106 . 1 1 11 11 VAL CG2 C 13 20.245 0.200 . 1 . . . . 483 VAL CG2 . 15710 1 107 . 1 1 11 11 VAL N N 15 114.496 0.200 . 1 . . . . 483 VAL N . 15710 1 108 . 1 1 12 12 LEU H H 1 9.188 0.020 . 1 . . . . 484 LEU H . 15710 1 109 . 1 1 12 12 LEU HA H 1 5.031 0.020 . 1 . . . . 484 LEU HA . 15710 1 110 . 1 1 12 12 LEU HB2 H 1 1.618 0.020 . 2 . . . . 484 LEU HB2 . 15710 1 111 . 1 1 12 12 LEU HB3 H 1 1.337 0.020 . 2 . . . . 484 LEU HB3 . 15710 1 112 . 1 1 12 12 LEU HD11 H 1 0.780 0.020 . 2 . . . . 484 LEU HD1 . 15710 1 113 . 1 1 12 12 LEU HD12 H 1 0.780 0.020 . 2 . . . . 484 LEU HD1 . 15710 1 114 . 1 1 12 12 LEU HD13 H 1 0.780 0.020 . 2 . . . . 484 LEU HD1 . 15710 1 115 . 1 1 12 12 LEU HD21 H 1 0.712 0.020 . 2 . . . . 484 LEU HD2 . 15710 1 116 . 1 1 12 12 LEU HD22 H 1 0.712 0.020 . 2 . . . . 484 LEU HD2 . 15710 1 117 . 1 1 12 12 LEU HD23 H 1 0.712 0.020 . 2 . . . . 484 LEU HD2 . 15710 1 118 . 1 1 12 12 LEU HG H 1 1.333 0.020 . 1 . . . . 484 LEU HG . 15710 1 119 . 1 1 12 12 LEU CA C 13 52.973 0.200 . 1 . . . . 484 LEU CA . 15710 1 120 . 1 1 12 12 LEU CB C 13 45.870 0.200 . 1 . . . . 484 LEU CB . 15710 1 121 . 1 1 12 12 LEU CD1 C 13 26.168 0.200 . 2 . . . . 484 LEU CD1 . 15710 1 122 . 1 1 12 12 LEU CD2 C 13 25.416 0.200 . 2 . . . . 484 LEU CD2 . 15710 1 123 . 1 1 12 12 LEU CG C 13 27.308 0.200 . 1 . . . . 484 LEU CG . 15710 1 124 . 1 1 12 12 LEU N N 15 122.079 0.200 . 1 . . . . 484 LEU N . 15710 1 125 . 1 1 13 13 CYS H H 1 8.782 0.020 . 1 . . . . 485 CYS H . 15710 1 126 . 1 1 13 13 CYS HA H 1 4.680 0.020 . 1 . . . . 485 CYS HA . 15710 1 127 . 1 1 13 13 CYS HB2 H 1 2.957 0.020 . 2 . . . . 485 CYS HB2 . 15710 1 128 . 1 1 13 13 CYS HB3 H 1 2.692 0.020 . 2 . . . . 485 CYS HB3 . 15710 1 129 . 1 1 13 13 CYS CA C 13 58.841 0.200 . 1 . . . . 485 CYS CA . 15710 1 130 . 1 1 13 13 CYS CB C 13 27.210 0.200 . 1 . . . . 485 CYS CB . 15710 1 131 . 1 1 13 13 CYS N N 15 122.901 0.200 . 1 . . . . 485 CYS N . 15710 1 132 . 1 1 14 14 ASN H H 1 9.485 0.020 . 1 . . . . 486 ASN H . 15710 1 133 . 1 1 14 14 ASN HA H 1 4.732 0.020 . 1 . . . . 486 ASN HA . 15710 1 134 . 1 1 14 14 ASN HB2 H 1 2.503 0.020 . 2 . . . . 486 ASN HB2 . 15710 1 135 . 1 1 14 14 ASN HB3 H 1 2.364 0.020 . 2 . . . . 486 ASN HB3 . 15710 1 136 . 1 1 14 14 ASN CA C 13 54.175 0.200 . 1 . . . . 486 ASN CA . 15710 1 137 . 1 1 14 14 ASN CB C 13 40.632 0.200 . 1 . . . . 486 ASN CB . 15710 1 138 . 1 1 14 14 ASN N N 15 127.448 0.200 . 1 . . . . 486 ASN N . 15710 1 139 . 1 1 15 15 TYR H H 1 7.576 0.020 . 1 . . . . 487 TYR H . 15710 1 140 . 1 1 15 15 TYR HA H 1 4.628 0.020 . 1 . . . . 487 TYR HA . 15710 1 141 . 1 1 15 15 TYR HB2 H 1 3.169 0.020 . 2 . . . . 487 TYR HB2 . 15710 1 142 . 1 1 15 15 TYR HB3 H 1 2.518 0.020 . 2 . . . . 487 TYR HB3 . 15710 1 143 . 1 1 15 15 TYR HD1 H 1 7.113 0.020 . 3 . . . . 487 TYR HD1 . 15710 1 144 . 1 1 15 15 TYR HD2 H 1 7.113 0.020 . 3 . . . . 487 TYR HD2 . 15710 1 145 . 1 1 15 15 TYR HE1 H 1 6.859 0.020 . 3 . . . . 487 TYR HE1 . 15710 1 146 . 1 1 15 15 TYR HE2 H 1 6.859 0.020 . 3 . . . . 487 TYR HE2 . 15710 1 147 . 1 1 15 15 TYR CA C 13 56.955 0.200 . 1 . . . . 487 TYR CA . 15710 1 148 . 1 1 15 15 TYR CB C 13 42.916 0.200 . 1 . . . . 487 TYR CB . 15710 1 149 . 1 1 15 15 TYR CD1 C 13 133.183 0.200 . 3 . . . . 487 TYR CD1 . 15710 1 150 . 1 1 15 15 TYR CD2 C 13 133.183 0.200 . 3 . . . . 487 TYR CD2 . 15710 1 151 . 1 1 15 15 TYR CE1 C 13 118.041 0.200 . 3 . . . . 487 TYR CE1 . 15710 1 152 . 1 1 15 15 TYR CE2 C 13 118.041 0.200 . 3 . . . . 487 TYR CE2 . 15710 1 153 . 1 1 15 15 TYR N N 15 116.817 0.200 . 1 . . . . 487 TYR N . 15710 1 154 . 1 1 16 16 ASP H H 1 8.323 0.020 . 1 . . . . 488 ASP H . 15710 1 155 . 1 1 16 16 ASP HA H 1 4.704 0.020 . 1 . . . . 488 ASP HA . 15710 1 156 . 1 1 16 16 ASP HB2 H 1 2.722 0.020 . 2 . . . . 488 ASP HB2 . 15710 1 157 . 1 1 16 16 ASP HB3 H 1 2.588 0.020 . 2 . . . . 488 ASP HB3 . 15710 1 158 . 1 1 16 16 ASP CA C 13 54.910 0.200 . 1 . . . . 488 ASP CA . 15710 1 159 . 1 1 16 16 ASP CB C 13 41.576 0.200 . 1 . . . . 488 ASP CB . 15710 1 160 . 1 1 16 16 ASP N N 15 118.946 0.200 . 1 . . . . 488 ASP N . 15710 1 161 . 1 1 17 17 PHE H H 1 8.669 0.020 . 1 . . . . 489 PHE H . 15710 1 162 . 1 1 17 17 PHE HA H 1 4.697 0.020 . 1 . . . . 489 PHE HA . 15710 1 163 . 1 1 17 17 PHE HB2 H 1 3.056 0.020 . 2 . . . . 489 PHE HB2 . 15710 1 164 . 1 1 17 17 PHE HB3 H 1 2.828 0.020 . 2 . . . . 489 PHE HB3 . 15710 1 165 . 1 1 17 17 PHE HD1 H 1 7.565 0.020 . 3 . . . . 489 PHE HD1 . 15710 1 166 . 1 1 17 17 PHE HD2 H 1 7.565 0.020 . 3 . . . . 489 PHE HD2 . 15710 1 167 . 1 1 17 17 PHE HE1 H 1 7.492 0.020 . 3 . . . . 489 PHE HE1 . 15710 1 168 . 1 1 17 17 PHE HE2 H 1 7.492 0.020 . 3 . . . . 489 PHE HE2 . 15710 1 169 . 1 1 17 17 PHE HZ H 1 7.720 0.020 . 2 . . . . 489 PHE HZ . 15710 1 170 . 1 1 17 17 PHE CA C 13 58.330 0.200 . 1 . . . . 489 PHE CA . 15710 1 171 . 1 1 17 17 PHE CB C 13 43.042 0.200 . 1 . . . . 489 PHE CB . 15710 1 172 . 1 1 17 17 PHE CD1 C 13 132.384 0.200 . 3 . . . . 489 PHE CD1 . 15710 1 173 . 1 1 17 17 PHE CD2 C 13 132.384 0.200 . 3 . . . . 489 PHE CD2 . 15710 1 174 . 1 1 17 17 PHE CE1 C 13 131.131 0.200 . 3 . . . . 489 PHE CE1 . 15710 1 175 . 1 1 17 17 PHE CZ C 13 130.780 0.200 . 1 . . . . 489 PHE CZ . 15710 1 176 . 1 1 17 17 PHE N N 15 122.610 0.200 . 1 . . . . 489 PHE N . 15710 1 177 . 1 1 18 18 GLN H H 1 7.579 0.020 . 1 . . . . 490 GLN H . 15710 1 178 . 1 1 18 18 GLN HA H 1 4.437 0.020 . 1 . . . . 490 GLN HA . 15710 1 179 . 1 1 18 18 GLN HB2 H 1 1.748 0.020 . 1 . . . . 490 GLN HB2 . 15710 1 180 . 1 1 18 18 GLN HB3 H 1 1.748 0.020 . 1 . . . . 490 GLN HB3 . 15710 1 181 . 1 1 18 18 GLN HG2 H 1 2.219 0.020 . 1 . . . . 490 GLN HG2 . 15710 1 182 . 1 1 18 18 GLN HG3 H 1 2.219 0.020 . 1 . . . . 490 GLN HG3 . 15710 1 183 . 1 1 18 18 GLN CA C 13 53.289 0.200 . 1 . . . . 490 GLN CA . 15710 1 184 . 1 1 18 18 GLN CB C 13 29.972 0.200 . 1 . . . . 490 GLN CB . 15710 1 185 . 1 1 18 18 GLN CG C 13 33.733 0.200 . 1 . . . . 490 GLN CG . 15710 1 186 . 1 1 18 18 GLN N N 15 127.465 0.200 . 1 . . . . 490 GLN N . 15710 1 187 . 1 1 19 19 ALA H H 1 8.485 0.020 . 1 . . . . 491 ALA H . 15710 1 188 . 1 1 19 19 ALA HA H 1 4.096 0.020 . 1 . . . . 491 ALA HA . 15710 1 189 . 1 1 19 19 ALA HB1 H 1 1.385 0.020 . 1 . . . . 491 ALA HB . 15710 1 190 . 1 1 19 19 ALA HB2 H 1 1.385 0.020 . 1 . . . . 491 ALA HB . 15710 1 191 . 1 1 19 19 ALA HB3 H 1 1.385 0.020 . 1 . . . . 491 ALA HB . 15710 1 192 . 1 1 19 19 ALA CA C 13 53.089 0.200 . 1 . . . . 491 ALA CA . 15710 1 193 . 1 1 19 19 ALA CB C 13 20.857 0.200 . 1 . . . . 491 ALA CB . 15710 1 194 . 1 1 19 19 ALA N N 15 127.190 0.200 . 1 . . . . 491 ALA N . 15710 1 195 . 1 1 20 20 ARG H H 1 9.439 0.020 . 1 . . . . 492 ARG H . 15710 1 196 . 1 1 20 20 ARG HA H 1 4.402 0.020 . 1 . . . . 492 ARG HA . 15710 1 197 . 1 1 20 20 ARG HB2 H 1 2.034 0.020 . 2 . . . . 492 ARG HB2 . 15710 1 198 . 1 1 20 20 ARG HB3 H 1 1.946 0.020 . 2 . . . . 492 ARG HB3 . 15710 1 199 . 1 1 20 20 ARG HD2 H 1 3.484 0.020 . 2 . . . . 492 ARG HD2 . 15710 1 200 . 1 1 20 20 ARG HD3 H 1 3.323 0.020 . 2 . . . . 492 ARG HD3 . 15710 1 201 . 1 1 20 20 ARG HG2 H 1 1.828 0.020 . 1 . . . . 492 ARG HG2 . 15710 1 202 . 1 1 20 20 ARG HG3 H 1 1.828 0.020 . 1 . . . . 492 ARG HG3 . 15710 1 203 . 1 1 20 20 ARG CA C 13 56.673 0.200 . 1 . . . . 492 ARG CA . 15710 1 204 . 1 1 20 20 ARG CB C 13 30.509 0.200 . 1 . . . . 492 ARG CB . 15710 1 205 . 1 1 20 20 ARG CD C 13 42.983 0.200 . 1 . . . . 492 ARG CD . 15710 1 206 . 1 1 20 20 ARG CG C 13 27.193 0.200 . 1 . . . . 492 ARG CG . 15710 1 207 . 1 1 20 20 ARG N N 15 120.914 0.200 . 1 . . . . 492 ARG N . 15710 1 208 . 1 1 21 21 ASN H H 1 7.571 0.020 . 1 . . . . 493 ASN H . 15710 1 209 . 1 1 21 21 ASN HA H 1 4.790 0.020 . 1 . . . . 493 ASN HA . 15710 1 210 . 1 1 21 21 ASN HB2 H 1 2.949 0.020 . 1 . . . . 493 ASN HB2 . 15710 1 211 . 1 1 21 21 ASN HB3 H 1 2.949 0.020 . 1 . . . . 493 ASN HB3 . 15710 1 212 . 1 1 21 21 ASN CA C 13 52.070 0.200 . 1 . . . . 493 ASN CA . 15710 1 213 . 1 1 21 21 ASN CB C 13 40.636 0.200 . 1 . . . . 493 ASN CB . 15710 1 214 . 1 1 21 21 ASN N N 15 112.659 0.200 . 1 . . . . 493 ASN N . 15710 1 215 . 1 1 22 22 SER HA H 1 4.430 0.020 . 1 . . . . 494 SER HA . 15710 1 216 . 1 1 22 22 SER HB2 H 1 4.146 0.020 . 2 . . . . 494 SER HB2 . 15710 1 217 . 1 1 22 22 SER HB3 H 1 4.019 0.020 . 2 . . . . 494 SER HB3 . 15710 1 218 . 1 1 22 22 SER CA C 13 60.971 0.200 . 1 . . . . 494 SER CA . 15710 1 219 . 1 1 22 22 SER CB C 13 63.403 0.200 . 1 . . . . 494 SER CB . 15710 1 220 . 1 1 23 23 SER H H 1 8.630 0.020 . 1 . . . . 495 SER H . 15710 1 221 . 1 1 23 23 SER HA H 1 4.737 0.020 . 1 . . . . 495 SER HA . 15710 1 222 . 1 1 23 23 SER HB2 H 1 4.135 0.020 . 2 . . . . 495 SER HB2 . 15710 1 223 . 1 1 23 23 SER HB3 H 1 4.017 0.020 . 2 . . . . 495 SER HB3 . 15710 1 224 . 1 1 23 23 SER CA C 13 59.730 0.200 . 1 . . . . 495 SER CA . 15710 1 225 . 1 1 23 23 SER CB C 13 64.042 0.200 . 1 . . . . 495 SER CB . 15710 1 226 . 1 1 23 23 SER N N 15 116.744 0.200 . 1 . . . . 495 SER N . 15710 1 227 . 1 1 24 24 GLU H H 1 7.669 0.020 . 1 . . . . 496 GLU H . 15710 1 228 . 1 1 24 24 GLU HA H 1 5.374 0.020 . 1 . . . . 496 GLU HA . 15710 1 229 . 1 1 24 24 GLU HB2 H 1 2.529 0.020 . 2 . . . . 496 GLU HB2 . 15710 1 230 . 1 1 24 24 GLU HB3 H 1 2.282 0.020 . 2 . . . . 496 GLU HB3 . 15710 1 231 . 1 1 24 24 GLU HG2 H 1 2.471 0.020 . 2 . . . . 496 GLU HG2 . 15710 1 232 . 1 1 24 24 GLU HG3 H 1 2.401 0.020 . 2 . . . . 496 GLU HG3 . 15710 1 233 . 1 1 24 24 GLU CA C 13 55.502 0.200 . 1 . . . . 496 GLU CA . 15710 1 234 . 1 1 24 24 GLU CB C 13 33.099 0.200 . 1 . . . . 496 GLU CB . 15710 1 235 . 1 1 24 24 GLU CG C 13 36.914 0.200 . 1 . . . . 496 GLU CG . 15710 1 236 . 1 1 24 24 GLU N N 15 123.213 0.200 . 1 . . . . 496 GLU N . 15710 1 237 . 1 1 25 25 LEU H H 1 8.058 0.020 . 1 . . . . 497 LEU H . 15710 1 238 . 1 1 25 25 LEU HA H 1 4.781 0.020 . 1 . . . . 497 LEU HA . 15710 1 239 . 1 1 25 25 LEU HB2 H 1 1.614 0.020 . 2 . . . . 497 LEU HB2 . 15710 1 240 . 1 1 25 25 LEU HB3 H 1 0.779 0.020 . 2 . . . . 497 LEU HB3 . 15710 1 241 . 1 1 25 25 LEU HD11 H 1 0.812 0.020 . 1 . . . . 497 LEU HD1 . 15710 1 242 . 1 1 25 25 LEU HD12 H 1 0.812 0.020 . 1 . . . . 497 LEU HD1 . 15710 1 243 . 1 1 25 25 LEU HD13 H 1 0.812 0.020 . 1 . . . . 497 LEU HD1 . 15710 1 244 . 1 1 25 25 LEU HD21 H 1 0.643 0.020 . 1 . . . . 497 LEU HD2 . 15710 1 245 . 1 1 25 25 LEU HD22 H 1 0.643 0.020 . 1 . . . . 497 LEU HD2 . 15710 1 246 . 1 1 25 25 LEU HD23 H 1 0.643 0.020 . 1 . . . . 497 LEU HD2 . 15710 1 247 . 1 1 25 25 LEU HG H 1 1.477 0.020 . 1 . . . . 497 LEU HG . 15710 1 248 . 1 1 25 25 LEU CA C 13 53.175 0.200 . 1 . . . . 497 LEU CA . 15710 1 249 . 1 1 25 25 LEU CB C 13 46.385 0.200 . 1 . . . . 497 LEU CB . 15710 1 250 . 1 1 25 25 LEU CD1 C 13 24.340 0.200 . 1 . . . . 497 LEU CD1 . 15710 1 251 . 1 1 25 25 LEU CD2 C 13 26.374 0.200 . 1 . . . . 497 LEU CD2 . 15710 1 252 . 1 1 25 25 LEU CG C 13 26.456 0.200 . 1 . . . . 497 LEU CG . 15710 1 253 . 1 1 25 25 LEU N N 15 122.845 0.200 . 1 . . . . 497 LEU N . 15710 1 254 . 1 1 26 26 SER H H 1 8.214 0.020 . 1 . . . . 498 SER H . 15710 1 255 . 1 1 26 26 SER HA H 1 5.172 0.020 . 1 . . . . 498 SER HA . 15710 1 256 . 1 1 26 26 SER HB2 H 1 4.061 0.020 . 2 . . . . 498 SER HB2 . 15710 1 257 . 1 1 26 26 SER HB3 H 1 3.896 0.020 . 2 . . . . 498 SER HB3 . 15710 1 258 . 1 1 26 26 SER CA C 13 59.006 0.200 . 1 . . . . 498 SER CA . 15710 1 259 . 1 1 26 26 SER CB C 13 63.378 0.200 . 1 . . . . 498 SER CB . 15710 1 260 . 1 1 26 26 SER N N 15 119.915 0.200 . 1 . . . . 498 SER N . 15710 1 261 . 1 1 27 27 VAL H H 1 9.026 0.020 . 1 . . . . 499 VAL H . 15710 1 262 . 1 1 27 27 VAL HA H 1 4.832 0.020 . 1 . . . . 499 VAL HA . 15710 1 263 . 1 1 27 27 VAL HB H 1 2.549 0.020 . 1 . . . . 499 VAL HB . 15710 1 264 . 1 1 27 27 VAL HG11 H 1 1.017 0.020 . 1 . . . . 499 VAL HG1 . 15710 1 265 . 1 1 27 27 VAL HG12 H 1 1.017 0.020 . 1 . . . . 499 VAL HG1 . 15710 1 266 . 1 1 27 27 VAL HG13 H 1 1.017 0.020 . 1 . . . . 499 VAL HG1 . 15710 1 267 . 1 1 27 27 VAL HG21 H 1 1.161 0.020 . 1 . . . . 499 VAL HG2 . 15710 1 268 . 1 1 27 27 VAL HG22 H 1 1.161 0.020 . 1 . . . . 499 VAL HG2 . 15710 1 269 . 1 1 27 27 VAL HG23 H 1 1.161 0.020 . 1 . . . . 499 VAL HG2 . 15710 1 270 . 1 1 27 27 VAL CA C 13 59.759 0.200 . 1 . . . . 499 VAL CA . 15710 1 271 . 1 1 27 27 VAL CB C 13 36.996 0.200 . 1 . . . . 499 VAL CB . 15710 1 272 . 1 1 27 27 VAL CG1 C 13 23.988 0.200 . 1 . . . . 499 VAL CG1 . 15710 1 273 . 1 1 27 27 VAL CG2 C 13 21.477 0.200 . 1 . . . . 499 VAL CG2 . 15710 1 274 . 1 1 27 27 VAL N N 15 117.752 0.200 . 1 . . . . 499 VAL N . 15710 1 275 . 1 1 28 28 LYS H H 1 9.025 0.020 . 1 . . . . 500 LYS H . 15710 1 276 . 1 1 28 28 LYS HA H 1 4.998 0.020 . 1 . . . . 500 LYS HA . 15710 1 277 . 1 1 28 28 LYS HB2 H 1 1.784 0.020 . 2 . . . . 500 LYS HB2 . 15710 1 278 . 1 1 28 28 LYS HB3 H 1 1.736 0.020 . 2 . . . . 500 LYS HB3 . 15710 1 279 . 1 1 28 28 LYS HD2 H 1 1.713 0.020 . 2 . . . . 500 LYS HD2 . 15710 1 280 . 1 1 28 28 LYS HD3 H 1 1.681 0.020 . 2 . . . . 500 LYS HD3 . 15710 1 281 . 1 1 28 28 LYS HE2 H 1 3.050 0.020 . 1 . . . . 500 LYS HE2 . 15710 1 282 . 1 1 28 28 LYS HE3 H 1 3.050 0.020 . 1 . . . . 500 LYS HE3 . 15710 1 283 . 1 1 28 28 LYS HG2 H 1 1.434 0.020 . 1 . . . . 500 LYS HG2 . 15710 1 284 . 1 1 28 28 LYS HG3 H 1 1.434 0.020 . 1 . . . . 500 LYS HG3 . 15710 1 285 . 1 1 28 28 LYS CA C 13 53.723 0.200 . 1 . . . . 500 LYS CA . 15710 1 286 . 1 1 28 28 LYS CB C 13 35.295 0.200 . 1 . . . . 500 LYS CB . 15710 1 287 . 1 1 28 28 LYS CD C 13 28.906 0.200 . 1 . . . . 500 LYS CD . 15710 1 288 . 1 1 28 28 LYS CE C 13 42.120 0.200 . 1 . . . . 500 LYS CE . 15710 1 289 . 1 1 28 28 LYS CG C 13 24.459 0.200 . 1 . . . . 500 LYS CG . 15710 1 290 . 1 1 28 28 LYS N N 15 122.651 0.200 . 1 . . . . 500 LYS N . 15710 1 291 . 1 1 29 29 GLN H H 1 8.812 0.020 . 1 . . . . 501 GLN H . 15710 1 292 . 1 1 29 29 GLN HA H 1 3.453 0.020 . 1 . . . . 501 GLN HA . 15710 1 293 . 1 1 29 29 GLN HB2 H 1 1.886 0.020 . 2 . . . . 501 GLN HB2 . 15710 1 294 . 1 1 29 29 GLN HB3 H 1 1.784 0.020 . 2 . . . . 501 GLN HB3 . 15710 1 295 . 1 1 29 29 GLN HG2 H 1 2.203 0.020 . 2 . . . . 501 GLN HG2 . 15710 1 296 . 1 1 29 29 GLN HG3 H 1 2.170 0.020 . 2 . . . . 501 GLN HG3 . 15710 1 297 . 1 1 29 29 GLN CA C 13 58.124 0.200 . 1 . . . . 501 GLN CA . 15710 1 298 . 1 1 29 29 GLN CB C 13 29.224 0.200 . 1 . . . . 501 GLN CB . 15710 1 299 . 1 1 29 29 GLN CG C 13 33.987 0.200 . 1 . . . . 501 GLN CG . 15710 1 300 . 1 1 29 29 GLN N N 15 120.413 0.200 . 1 . . . . 501 GLN N . 15710 1 301 . 1 1 30 30 ARG H H 1 9.000 0.020 . 1 . . . . 502 ARG H . 15710 1 302 . 1 1 30 30 ARG HA H 1 3.646 0.020 . 1 . . . . 502 ARG HA . 15710 1 303 . 1 1 30 30 ARG HB2 H 1 2.429 0.020 . 2 . . . . 502 ARG HB2 . 15710 1 304 . 1 1 30 30 ARG HB3 H 1 2.073 0.020 . 2 . . . . 502 ARG HB3 . 15710 1 305 . 1 1 30 30 ARG HD2 H 1 3.255 0.020 . 2 . . . . 502 ARG HD2 . 15710 1 306 . 1 1 30 30 ARG HD3 H 1 3.180 0.020 . 2 . . . . 502 ARG HD3 . 15710 1 307 . 1 1 30 30 ARG HG2 H 1 1.616 0.020 . 1 . . . . 502 ARG HG2 . 15710 1 308 . 1 1 30 30 ARG HG3 H 1 1.616 0.020 . 1 . . . . 502 ARG HG3 . 15710 1 309 . 1 1 30 30 ARG CA C 13 59.698 0.200 . 1 . . . . 502 ARG CA . 15710 1 310 . 1 1 30 30 ARG CB C 13 27.644 0.200 . 1 . . . . 502 ARG CB . 15710 1 311 . 1 1 30 30 ARG CD C 13 43.339 0.200 . 1 . . . . 502 ARG CD . 15710 1 312 . 1 1 30 30 ARG CG C 13 29.035 0.200 . 1 . . . . 502 ARG CG . 15710 1 313 . 1 1 30 30 ARG N N 15 116.988 0.200 . 1 . . . . 502 ARG N . 15710 1 314 . 1 1 31 31 ASP H H 1 8.283 0.020 . 1 . . . . 503 ASP H . 15710 1 315 . 1 1 31 31 ASP HA H 1 4.593 0.020 . 1 . . . . 503 ASP HA . 15710 1 316 . 1 1 31 31 ASP HB2 H 1 3.064 0.020 . 2 . . . . 503 ASP HB2 . 15710 1 317 . 1 1 31 31 ASP HB3 H 1 2.452 0.020 . 2 . . . . 503 ASP HB3 . 15710 1 318 . 1 1 31 31 ASP CA C 13 56.110 0.200 . 1 . . . . 503 ASP CA . 15710 1 319 . 1 1 31 31 ASP CB C 13 41.296 0.200 . 1 . . . . 503 ASP CB . 15710 1 320 . 1 1 31 31 ASP N N 15 121.475 0.200 . 1 . . . . 503 ASP N . 15710 1 321 . 1 1 32 32 VAL H H 1 8.050 0.020 . 1 . . . . 504 VAL H . 15710 1 322 . 1 1 32 32 VAL HA H 1 4.861 0.020 . 1 . . . . 504 VAL HA . 15710 1 323 . 1 1 32 32 VAL HB H 1 1.854 0.020 . 1 . . . . 504 VAL HB . 15710 1 324 . 1 1 32 32 VAL HG11 H 1 0.766 0.020 . 2 . . . . 504 VAL HG1 . 15710 1 325 . 1 1 32 32 VAL HG12 H 1 0.766 0.020 . 2 . . . . 504 VAL HG1 . 15710 1 326 . 1 1 32 32 VAL HG13 H 1 0.766 0.020 . 2 . . . . 504 VAL HG1 . 15710 1 327 . 1 1 32 32 VAL HG21 H 1 0.737 0.020 . 2 . . . . 504 VAL HG2 . 15710 1 328 . 1 1 32 32 VAL HG22 H 1 0.737 0.020 . 2 . . . . 504 VAL HG2 . 15710 1 329 . 1 1 32 32 VAL HG23 H 1 0.737 0.020 . 2 . . . . 504 VAL HG2 . 15710 1 330 . 1 1 32 32 VAL CA C 13 61.789 0.200 . 1 . . . . 504 VAL CA . 15710 1 331 . 1 1 32 32 VAL CB C 13 32.572 0.200 . 1 . . . . 504 VAL CB . 15710 1 332 . 1 1 32 32 VAL CG1 C 13 21.712 0.200 . 2 . . . . 504 VAL CG1 . 15710 1 333 . 1 1 32 32 VAL CG2 C 13 21.760 0.200 . 2 . . . . 504 VAL CG2 . 15710 1 334 . 1 1 32 32 VAL N N 15 121.436 0.200 . 1 . . . . 504 VAL N . 15710 1 335 . 1 1 33 33 LEU H H 1 9.122 0.020 . 1 . . . . 505 LEU H . 15710 1 336 . 1 1 33 33 LEU HA H 1 5.045 0.020 . 1 . . . . 505 LEU HA . 15710 1 337 . 1 1 33 33 LEU HB2 H 1 1.568 0.020 . 2 . . . . 505 LEU HB2 . 15710 1 338 . 1 1 33 33 LEU HB3 H 1 1.349 0.020 . 2 . . . . 505 LEU HB3 . 15710 1 339 . 1 1 33 33 LEU HD11 H 1 0.864 0.020 . 1 . . . . 505 LEU HD1 . 15710 1 340 . 1 1 33 33 LEU HD12 H 1 0.864 0.020 . 1 . . . . 505 LEU HD1 . 15710 1 341 . 1 1 33 33 LEU HD13 H 1 0.864 0.020 . 1 . . . . 505 LEU HD1 . 15710 1 342 . 1 1 33 33 LEU HD21 H 1 0.954 0.020 . 1 . . . . 505 LEU HD2 . 15710 1 343 . 1 1 33 33 LEU HD22 H 1 0.954 0.020 . 1 . . . . 505 LEU HD2 . 15710 1 344 . 1 1 33 33 LEU HD23 H 1 0.954 0.020 . 1 . . . . 505 LEU HD2 . 15710 1 345 . 1 1 33 33 LEU HG H 1 1.611 0.020 . 1 . . . . 505 LEU HG . 15710 1 346 . 1 1 33 33 LEU CA C 13 52.931 0.200 . 1 . . . . 505 LEU CA . 15710 1 347 . 1 1 33 33 LEU CB C 13 45.272 0.200 . 1 . . . . 505 LEU CB . 15710 1 348 . 1 1 33 33 LEU CD1 C 13 26.900 0.200 . 1 . . . . 505 LEU CD1 . 15710 1 349 . 1 1 33 33 LEU CD2 C 13 24.110 0.200 . 1 . . . . 505 LEU CD2 . 15710 1 350 . 1 1 33 33 LEU N N 15 125.761 0.200 . 1 . . . . 505 LEU N . 15710 1 351 . 1 1 34 34 GLU H H 1 8.487 0.020 . 1 . . . . 506 GLU H . 15710 1 352 . 1 1 34 34 GLU HA H 1 4.386 0.020 . 1 . . . . 506 GLU HA . 15710 1 353 . 1 1 34 34 GLU HB2 H 1 1.692 0.020 . 1 . . . . 506 GLU HB2 . 15710 1 354 . 1 1 34 34 GLU HB3 H 1 1.692 0.020 . 1 . . . . 506 GLU HB3 . 15710 1 355 . 1 1 34 34 GLU HG2 H 1 1.489 0.020 . 1 . . . . 506 GLU HG2 . 15710 1 356 . 1 1 34 34 GLU HG3 H 1 1.489 0.020 . 1 . . . . 506 GLU HG3 . 15710 1 357 . 1 1 34 34 GLU CA C 13 54.795 0.200 . 1 . . . . 506 GLU CA . 15710 1 358 . 1 1 34 34 GLU CB C 13 32.009 0.200 . 1 . . . . 506 GLU CB . 15710 1 359 . 1 1 34 34 GLU CG C 13 36.085 0.200 . 1 . . . . 506 GLU CG . 15710 1 360 . 1 1 34 34 GLU N N 15 122.166 0.200 . 1 . . . . 506 GLU N . 15710 1 361 . 1 1 35 35 VAL H H 1 8.675 0.020 . 1 . . . . 507 VAL H . 15710 1 362 . 1 1 35 35 VAL HA H 1 3.958 0.020 . 1 . . . . 507 VAL HA . 15710 1 363 . 1 1 35 35 VAL HB H 1 1.887 0.020 . 1 . . . . 507 VAL HB . 15710 1 364 . 1 1 35 35 VAL HG11 H 1 0.544 0.020 . 1 . . . . 507 VAL HG1 . 15710 1 365 . 1 1 35 35 VAL HG12 H 1 0.544 0.020 . 1 . . . . 507 VAL HG1 . 15710 1 366 . 1 1 35 35 VAL HG13 H 1 0.544 0.020 . 1 . . . . 507 VAL HG1 . 15710 1 367 . 1 1 35 35 VAL HG21 H 1 1.007 0.020 . 1 . . . . 507 VAL HG2 . 15710 1 368 . 1 1 35 35 VAL HG22 H 1 1.007 0.020 . 1 . . . . 507 VAL HG2 . 15710 1 369 . 1 1 35 35 VAL HG23 H 1 1.007 0.020 . 1 . . . . 507 VAL HG2 . 15710 1 370 . 1 1 35 35 VAL CA C 13 63.770 0.200 . 1 . . . . 507 VAL CA . 15710 1 371 . 1 1 35 35 VAL CB C 13 32.446 0.200 . 1 . . . . 507 VAL CB . 15710 1 372 . 1 1 35 35 VAL CG1 C 13 22.014 0.200 . 1 . . . . 507 VAL CG1 . 15710 1 373 . 1 1 35 35 VAL CG2 C 13 24.103 0.200 . 1 . . . . 507 VAL CG2 . 15710 1 374 . 1 1 35 35 VAL N N 15 124.509 0.200 . 1 . . . . 507 VAL N . 15710 1 375 . 1 1 36 36 LEU H H 1 9.119 0.020 . 1 . . . . 508 LEU H . 15710 1 376 . 1 1 36 36 LEU HA H 1 4.443 0.020 . 1 . . . . 508 LEU HA . 15710 1 377 . 1 1 36 36 LEU HB2 H 1 1.469 0.020 . 2 . . . . 508 LEU HB2 . 15710 1 378 . 1 1 36 36 LEU HB3 H 1 1.161 0.020 . 2 . . . . 508 LEU HB3 . 15710 1 379 . 1 1 36 36 LEU HD11 H 1 0.646 0.020 . 1 . . . . 508 LEU HD1 . 15710 1 380 . 1 1 36 36 LEU HD12 H 1 0.646 0.020 . 1 . . . . 508 LEU HD1 . 15710 1 381 . 1 1 36 36 LEU HD13 H 1 0.646 0.020 . 1 . . . . 508 LEU HD1 . 15710 1 382 . 1 1 36 36 LEU HD21 H 1 0.593 0.020 . 1 . . . . 508 LEU HD2 . 15710 1 383 . 1 1 36 36 LEU HD22 H 1 0.593 0.020 . 1 . . . . 508 LEU HD2 . 15710 1 384 . 1 1 36 36 LEU HD23 H 1 0.593 0.020 . 1 . . . . 508 LEU HD2 . 15710 1 385 . 1 1 36 36 LEU HG H 1 1.392 0.020 . 1 . . . . 508 LEU HG . 15710 1 386 . 1 1 36 36 LEU CA C 13 55.142 0.200 . 1 . . . . 508 LEU CA . 15710 1 387 . 1 1 36 36 LEU CB C 13 42.233 0.200 . 1 . . . . 508 LEU CB . 15710 1 388 . 1 1 36 36 LEU CD1 C 13 25.672 0.200 . 1 . . . . 508 LEU CD1 . 15710 1 389 . 1 1 36 36 LEU CD2 C 13 21.867 0.200 . 1 . . . . 508 LEU CD2 . 15710 1 390 . 1 1 36 36 LEU CG C 13 27.342 0.200 . 1 . . . . 508 LEU CG . 15710 1 391 . 1 1 36 36 LEU N N 15 127.447 0.200 . 1 . . . . 508 LEU N . 15710 1 392 . 1 1 37 37 ASP H H 1 7.544 0.020 . 1 . . . . 509 ASP H . 15710 1 393 . 1 1 37 37 ASP HA H 1 4.623 0.020 . 1 . . . . 509 ASP HA . 15710 1 394 . 1 1 37 37 ASP HB2 H 1 2.714 0.020 . 1 . . . . 509 ASP HB2 . 15710 1 395 . 1 1 37 37 ASP HB3 H 1 2.714 0.020 . 1 . . . . 509 ASP HB3 . 15710 1 396 . 1 1 37 37 ASP CA C 13 55.295 0.200 . 1 . . . . 509 ASP CA . 15710 1 397 . 1 1 37 37 ASP CB C 13 43.281 0.200 . 1 . . . . 509 ASP CB . 15710 1 398 . 1 1 37 37 ASP N N 15 116.227 0.200 . 1 . . . . 509 ASP N . 15710 1 399 . 1 1 38 38 ASP H H 1 8.100 0.020 . 1 . . . . 510 ASP H . 15710 1 400 . 1 1 38 38 ASP HA H 1 3.309 0.020 . 1 . . . . 510 ASP HA . 15710 1 401 . 1 1 38 38 ASP HB2 H 1 1.458 0.020 . 2 . . . . 510 ASP HB2 . 15710 1 402 . 1 1 38 38 ASP HB3 H 1 0.717 0.020 . 2 . . . . 510 ASP HB3 . 15710 1 403 . 1 1 38 38 ASP CA C 13 51.779 0.200 . 1 . . . . 510 ASP CA . 15710 1 404 . 1 1 38 38 ASP CB C 13 38.848 0.200 . 1 . . . . 510 ASP CB . 15710 1 405 . 1 1 38 38 ASP N N 15 128.170 0.200 . 1 . . . . 510 ASP N . 15710 1 406 . 1 1 39 39 SER H H 1 8.168 0.020 . 1 . . . . 511 SER H . 15710 1 407 . 1 1 39 39 SER HA H 1 4.134 0.020 . 1 . . . . 511 SER HA . 15710 1 408 . 1 1 39 39 SER HB2 H 1 3.975 0.020 . 1 . . . . 511 SER HB2 . 15710 1 409 . 1 1 39 39 SER HB3 H 1 3.975 0.020 . 1 . . . . 511 SER HB3 . 15710 1 410 . 1 1 39 39 SER CA C 13 61.364 0.200 . 1 . . . . 511 SER CA . 15710 1 411 . 1 1 39 39 SER CB C 13 64.333 0.200 . 1 . . . . 511 SER CB . 15710 1 412 . 1 1 39 39 SER N N 15 114.442 0.200 . 1 . . . . 511 SER N . 15710 1 413 . 1 1 40 40 ARG H H 1 8.168 0.020 . 1 . . . . 512 ARG H . 15710 1 414 . 1 1 40 40 ARG HA H 1 4.822 0.020 . 1 . . . . 512 ARG HA . 15710 1 415 . 1 1 40 40 ARG HB2 H 1 2.273 0.020 . 2 . . . . 512 ARG HB2 . 15710 1 416 . 1 1 40 40 ARG HB3 H 1 2.156 0.020 . 2 . . . . 512 ARG HB3 . 15710 1 417 . 1 1 40 40 ARG HD2 H 1 3.298 0.020 . 2 . . . . 512 ARG HD2 . 15710 1 418 . 1 1 40 40 ARG HD3 H 1 3.254 0.020 . 2 . . . . 512 ARG HD3 . 15710 1 419 . 1 1 40 40 ARG HG2 H 1 1.886 0.020 . 2 . . . . 512 ARG HG2 . 15710 1 420 . 1 1 40 40 ARG HG3 H 1 1.742 0.020 . 2 . . . . 512 ARG HG3 . 15710 1 421 . 1 1 40 40 ARG CA C 13 55.037 0.200 . 1 . . . . 512 ARG CA . 15710 1 422 . 1 1 40 40 ARG CB C 13 32.208 0.200 . 1 . . . . 512 ARG CB . 15710 1 423 . 1 1 40 40 ARG CD C 13 43.773 0.200 . 1 . . . . 512 ARG CD . 15710 1 424 . 1 1 40 40 ARG CG C 13 27.744 0.200 . 1 . . . . 512 ARG CG . 15710 1 425 . 1 1 40 40 ARG N N 15 122.167 0.200 . 1 . . . . 512 ARG N . 15710 1 426 . 1 1 41 41 LYS HA H 1 4.092 0.020 . 1 . . . . 513 LYS HA . 15710 1 427 . 1 1 41 41 LYS HB2 H 1 1.914 0.020 . 2 . . . . 513 LYS HB2 . 15710 1 428 . 1 1 41 41 LYS HB3 H 1 1.884 0.020 . 2 . . . . 513 LYS HB3 . 15710 1 429 . 1 1 41 41 LYS HD2 H 1 1.615 0.020 . 1 . . . . 513 LYS HD2 . 15710 1 430 . 1 1 41 41 LYS HD3 H 1 1.615 0.020 . 1 . . . . 513 LYS HD3 . 15710 1 431 . 1 1 41 41 LYS HE2 H 1 2.959 0.020 . 1 . . . . 513 LYS HE2 . 15710 1 432 . 1 1 41 41 LYS HE3 H 1 2.959 0.020 . 1 . . . . 513 LYS HE3 . 15710 1 433 . 1 1 41 41 LYS HG2 H 1 1.493 0.020 . 2 . . . . 513 LYS HG2 . 15710 1 434 . 1 1 41 41 LYS HG3 H 1 1.276 0.020 . 2 . . . . 513 LYS HG3 . 15710 1 435 . 1 1 41 41 LYS CA C 13 58.219 0.200 . 1 . . . . 513 LYS CA . 15710 1 436 . 1 1 41 41 LYS CB C 13 32.134 0.200 . 1 . . . . 513 LYS CB . 15710 1 437 . 1 1 41 41 LYS CD C 13 29.178 0.200 . 1 . . . . 513 LYS CD . 15710 1 438 . 1 1 41 41 LYS CE C 13 42.349 0.200 . 1 . . . . 513 LYS CE . 15710 1 439 . 1 1 41 41 LYS CG C 13 25.746 0.200 . 1 . . . . 513 LYS CG . 15710 1 440 . 1 1 42 42 TRP H H 1 7.336 0.020 . 1 . . . . 514 TRP H . 15710 1 441 . 1 1 42 42 TRP HA H 1 4.983 0.020 . 1 . . . . 514 TRP HA . 15710 1 442 . 1 1 42 42 TRP HB2 H 1 3.087 0.020 . 2 . . . . 514 TRP HB2 . 15710 1 443 . 1 1 42 42 TRP HB3 H 1 2.952 0.020 . 2 . . . . 514 TRP HB3 . 15710 1 444 . 1 1 42 42 TRP HD1 H 1 7.076 0.020 . 1 . . . . 514 TRP HD1 . 15710 1 445 . 1 1 42 42 TRP HE1 H 1 10.272 0.020 . 1 . . . . 514 TRP HE1 . 15710 1 446 . 1 1 42 42 TRP HE3 H 1 7.156 0.020 . 1 . . . . 514 TRP HE3 . 15710 1 447 . 1 1 42 42 TRP HH2 H 1 7.311 0.020 . 1 . . . . 514 TRP HH2 . 15710 1 448 . 1 1 42 42 TRP HZ2 H 1 7.480 0.020 . 1 . . . . 514 TRP HZ2 . 15710 1 449 . 1 1 42 42 TRP HZ3 H 1 7.023 0.020 . 1 . . . . 514 TRP HZ3 . 15710 1 450 . 1 1 42 42 TRP CA C 13 56.710 0.200 . 1 . . . . 514 TRP CA . 15710 1 451 . 1 1 42 42 TRP CB C 13 29.879 0.200 . 1 . . . . 514 TRP CB . 15710 1 452 . 1 1 42 42 TRP CD1 C 13 125.920 0.200 . 1 . . . . 514 TRP CD1 . 15710 1 453 . 1 1 42 42 TRP CE3 C 13 119.239 0.200 . 1 . . . . 514 TRP CE3 . 15710 1 454 . 1 1 42 42 TRP CH2 C 13 124.730 0.200 . 1 . . . . 514 TRP CH2 . 15710 1 455 . 1 1 42 42 TRP CZ2 C 13 114.675 0.200 . 1 . . . . 514 TRP CZ2 . 15710 1 456 . 1 1 42 42 TRP CZ3 C 13 121.924 0.200 . 1 . . . . 514 TRP CZ3 . 15710 1 457 . 1 1 42 42 TRP N N 15 119.153 0.200 . 1 . . . . 514 TRP N . 15710 1 458 . 1 1 42 42 TRP NE1 N 15 130.105 0.200 . 1 . . . . 514 TRP NE1 . 15710 1 459 . 1 1 43 43 TRP H H 1 9.492 0.020 . 1 . . . . 515 TRP H . 15710 1 460 . 1 1 43 43 TRP HA H 1 5.395 0.020 . 1 . . . . 515 TRP HA . 15710 1 461 . 1 1 43 43 TRP HB2 H 1 2.998 0.020 . 2 . . . . 515 TRP HB2 . 15710 1 462 . 1 1 43 43 TRP HB3 H 1 2.902 0.020 . 2 . . . . 515 TRP HB3 . 15710 1 463 . 1 1 43 43 TRP HD1 H 1 7.210 0.020 . 1 . . . . 515 TRP HD1 . 15710 1 464 . 1 1 43 43 TRP HE1 H 1 9.544 0.020 . 1 . . . . 515 TRP HE1 . 15710 1 465 . 1 1 43 43 TRP HE3 H 1 7.166 0.020 . 1 . . . . 515 TRP HE3 . 15710 1 466 . 1 1 43 43 TRP HH2 H 1 7.289 0.020 . 1 . . . . 515 TRP HH2 . 15710 1 467 . 1 1 43 43 TRP HZ2 H 1 7.489 0.020 . 1 . . . . 515 TRP HZ2 . 15710 1 468 . 1 1 43 43 TRP HZ3 H 1 6.934 0.020 . 1 . . . . 515 TRP HZ3 . 15710 1 469 . 1 1 43 43 TRP CA C 13 55.294 0.200 . 1 . . . . 515 TRP CA . 15710 1 470 . 1 1 43 43 TRP CB C 13 30.613 0.200 . 1 . . . . 515 TRP CB . 15710 1 471 . 1 1 43 43 TRP CD1 C 13 125.109 0.200 . 1 . . . . 515 TRP CD1 . 15710 1 472 . 1 1 43 43 TRP CE3 C 13 120.651 0.200 . 1 . . . . 515 TRP CE3 . 15710 1 473 . 1 1 43 43 TRP CH2 C 13 124.452 0.200 . 1 . . . . 515 TRP CH2 . 15710 1 474 . 1 1 43 43 TRP CZ2 C 13 114.675 0.200 . 1 . . . . 515 TRP CZ2 . 15710 1 475 . 1 1 43 43 TRP CZ3 C 13 121.924 0.200 . 1 . . . . 515 TRP CZ3 . 15710 1 476 . 1 1 43 43 TRP N N 15 126.683 0.200 . 1 . . . . 515 TRP N . 15710 1 477 . 1 1 43 43 TRP NE1 N 15 130.256 0.200 . 1 . . . . 515 TRP NE1 . 15710 1 478 . 1 1 44 44 LYS H H 1 8.851 0.020 . 1 . . . . 516 LYS H . 15710 1 479 . 1 1 44 44 LYS HA H 1 4.353 0.020 . 1 . . . . 516 LYS HA . 15710 1 480 . 1 1 44 44 LYS HB2 H 1 1.636 0.020 . 2 . . . . 516 LYS HB2 . 15710 1 481 . 1 1 44 44 LYS HB3 H 1 1.419 0.020 . 2 . . . . 516 LYS HB3 . 15710 1 482 . 1 1 44 44 LYS HD2 H 1 1.482 0.020 . 2 . . . . 516 LYS HD2 . 15710 1 483 . 1 1 44 44 LYS HD3 H 1 1.423 0.020 . 2 . . . . 516 LYS HD3 . 15710 1 484 . 1 1 44 44 LYS HE2 H 1 2.750 0.020 . 2 . . . . 516 LYS HE2 . 15710 1 485 . 1 1 44 44 LYS HE3 H 1 2.665 0.020 . 2 . . . . 516 LYS HE3 . 15710 1 486 . 1 1 44 44 LYS HG2 H 1 1.104 0.020 . 2 . . . . 516 LYS HG2 . 15710 1 487 . 1 1 44 44 LYS HG3 H 1 0.528 0.020 . 2 . . . . 516 LYS HG3 . 15710 1 488 . 1 1 44 44 LYS CA C 13 55.760 0.200 . 1 . . . . 516 LYS CA . 15710 1 489 . 1 1 44 44 LYS CB C 13 33.882 0.200 . 1 . . . . 516 LYS CB . 15710 1 490 . 1 1 44 44 LYS CD C 13 29.318 0.200 . 1 . . . . 516 LYS CD . 15710 1 491 . 1 1 44 44 LYS CE C 13 42.139 0.200 . 1 . . . . 516 LYS CE . 15710 1 492 . 1 1 44 44 LYS CG C 13 26.215 0.200 . 1 . . . . 516 LYS CG . 15710 1 493 . 1 1 44 44 LYS N N 15 124.422 0.200 . 1 . . . . 516 LYS N . 15710 1 494 . 1 1 45 45 VAL H H 1 9.198 0.020 . 1 . . . . 517 VAL H . 15710 1 495 . 1 1 45 45 VAL HA H 1 5.490 0.020 . 1 . . . . 517 VAL HA . 15710 1 496 . 1 1 45 45 VAL HB H 1 2.153 0.020 . 1 . . . . 517 VAL HB . 15710 1 497 . 1 1 45 45 VAL HG11 H 1 0.919 0.020 . 1 . . . . 517 VAL HG1 . 15710 1 498 . 1 1 45 45 VAL HG12 H 1 0.919 0.020 . 1 . . . . 517 VAL HG1 . 15710 1 499 . 1 1 45 45 VAL HG13 H 1 0.919 0.020 . 1 . . . . 517 VAL HG1 . 15710 1 500 . 1 1 45 45 VAL HG21 H 1 0.919 0.020 . 1 . . . . 517 VAL HG2 . 15710 1 501 . 1 1 45 45 VAL HG22 H 1 0.919 0.020 . 1 . . . . 517 VAL HG2 . 15710 1 502 . 1 1 45 45 VAL HG23 H 1 0.919 0.020 . 1 . . . . 517 VAL HG2 . 15710 1 503 . 1 1 45 45 VAL CA C 13 58.988 0.200 . 1 . . . . 517 VAL CA . 15710 1 504 . 1 1 45 45 VAL CB C 13 36.996 0.200 . 1 . . . . 517 VAL CB . 15710 1 505 . 1 1 45 45 VAL CG1 C 13 21.608 0.200 . 2 . . . . 517 VAL CG1 . 15710 1 506 . 1 1 45 45 VAL CG2 C 13 19.511 0.200 . 2 . . . . 517 VAL CG2 . 15710 1 507 . 1 1 45 45 VAL N N 15 122.736 0.200 . 1 . . . . 517 VAL N . 15710 1 508 . 1 1 46 46 ARG H H 1 8.881 0.020 . 1 . . . . 518 ARG H . 15710 1 509 . 1 1 46 46 ARG HA H 1 5.541 0.020 . 1 . . . . 518 ARG HA . 15710 1 510 . 1 1 46 46 ARG HB2 H 1 1.756 0.020 . 2 . . . . 518 ARG HB2 . 15710 1 511 . 1 1 46 46 ARG HB3 H 1 1.587 0.020 . 2 . . . . 518 ARG HB3 . 15710 1 512 . 1 1 46 46 ARG HD2 H 1 3.338 0.020 . 2 . . . . 518 ARG HD2 . 15710 1 513 . 1 1 46 46 ARG HD3 H 1 3.274 0.020 . 2 . . . . 518 ARG HD3 . 15710 1 514 . 1 1 46 46 ARG HE H 1 7.377 0.020 . 1 . . . . 518 ARG HE . 15710 1 515 . 1 1 46 46 ARG HG2 H 1 2.013 0.020 . 2 . . . . 518 ARG HG2 . 15710 1 516 . 1 1 46 46 ARG HG3 H 1 1.443 0.020 . 2 . . . . 518 ARG HG3 . 15710 1 517 . 1 1 46 46 ARG CA C 13 53.957 0.200 . 1 . . . . 518 ARG CA . 15710 1 518 . 1 1 46 46 ARG CB C 13 35.333 0.200 . 1 . . . . 518 ARG CB . 15710 1 519 . 1 1 46 46 ARG CD C 13 44.178 0.200 . 1 . . . . 518 ARG CD . 15710 1 520 . 1 1 46 46 ARG CG C 13 26.768 0.200 . 1 . . . . 518 ARG CG . 15710 1 521 . 1 1 46 46 ARG N N 15 119.205 0.200 . 1 . . . . 518 ARG N . 15710 1 522 . 1 1 46 46 ARG NE N 15 116.324 0.200 . 1 . . . . 518 ARG NE . 15710 1 523 . 1 1 47 47 ASP H H 1 9.145 0.020 . 1 . . . . 519 ASP H . 15710 1 524 . 1 1 47 47 ASP HA H 1 4.979 0.020 . 1 . . . . 519 ASP HA . 15710 1 525 . 1 1 47 47 ASP HB2 H 1 3.413 0.020 . 2 . . . . 519 ASP HB2 . 15710 1 526 . 1 1 47 47 ASP HB3 H 1 2.584 0.020 . 2 . . . . 519 ASP HB3 . 15710 1 527 . 1 1 47 47 ASP CA C 13 53.033 0.200 . 1 . . . . 519 ASP CA . 15710 1 528 . 1 1 47 47 ASP CB C 13 40.853 0.200 . 1 . . . . 519 ASP CB . 15710 1 529 . 1 1 47 47 ASP N N 15 129.653 0.200 . 1 . . . . 519 ASP N . 15710 1 530 . 1 1 48 48 PRO HA H 1 4.526 0.020 . 1 . . . . 520 PRO HA . 15710 1 531 . 1 1 48 48 PRO HB2 H 1 2.538 0.020 . 2 . . . . 520 PRO HB2 . 15710 1 532 . 1 1 48 48 PRO HB3 H 1 1.957 0.020 . 2 . . . . 520 PRO HB3 . 15710 1 533 . 1 1 48 48 PRO HD2 H 1 3.979 0.020 . 2 . . . . 520 PRO HD2 . 15710 1 534 . 1 1 48 48 PRO HD3 H 1 3.881 0.020 . 2 . . . . 520 PRO HD3 . 15710 1 535 . 1 1 48 48 PRO HG2 H 1 2.273 0.020 . 2 . . . . 520 PRO HG2 . 15710 1 536 . 1 1 48 48 PRO HG3 H 1 2.212 0.020 . 2 . . . . 520 PRO HG3 . 15710 1 537 . 1 1 48 48 PRO CA C 13 65.490 0.200 . 1 . . . . 520 PRO CA . 15710 1 538 . 1 1 48 48 PRO CB C 13 31.970 0.200 . 1 . . . . 520 PRO CB . 15710 1 539 . 1 1 48 48 PRO CD C 13 51.925 0.200 . 1 . . . . 520 PRO CD . 15710 1 540 . 1 1 48 48 PRO CG C 13 28.236 0.200 . 1 . . . . 520 PRO CG . 15710 1 541 . 1 1 49 49 ALA H H 1 7.900 0.020 . 1 . . . . 521 ALA H . 15710 1 542 . 1 1 49 49 ALA HA H 1 4.516 0.020 . 1 . . . . 521 ALA HA . 15710 1 543 . 1 1 49 49 ALA HB1 H 1 1.562 0.020 . 1 . . . . 521 ALA HB . 15710 1 544 . 1 1 49 49 ALA HB2 H 1 1.562 0.020 . 1 . . . . 521 ALA HB . 15710 1 545 . 1 1 49 49 ALA HB3 H 1 1.562 0.020 . 1 . . . . 521 ALA HB . 15710 1 546 . 1 1 49 49 ALA CA C 13 51.892 0.200 . 1 . . . . 521 ALA CA . 15710 1 547 . 1 1 49 49 ALA CB C 13 18.990 0.200 . 1 . . . . 521 ALA CB . 15710 1 548 . 1 1 49 49 ALA N N 15 118.719 0.200 . 1 . . . . 521 ALA N . 15710 1 549 . 1 1 50 50 GLY H H 1 8.545 0.020 . 1 . . . . 522 GLY H . 15710 1 550 . 1 1 50 50 GLY HA2 H 1 4.337 0.020 . 2 . . . . 522 GLY HA2 . 15710 1 551 . 1 1 50 50 GLY HA3 H 1 3.546 0.020 . 2 . . . . 522 GLY HA3 . 15710 1 552 . 1 1 50 50 GLY CA C 13 45.350 0.200 . 1 . . . . 522 GLY CA . 15710 1 553 . 1 1 50 50 GLY N N 15 108.677 0.200 . 1 . . . . 522 GLY N . 15710 1 554 . 1 1 51 51 GLN H H 1 8.783 0.020 . 1 . . . . 523 GLN H . 15710 1 555 . 1 1 51 51 GLN HA H 1 4.324 0.020 . 1 . . . . 523 GLN HA . 15710 1 556 . 1 1 51 51 GLN HB2 H 1 2.304 0.020 . 2 . . . . 523 GLN HB2 . 15710 1 557 . 1 1 51 51 GLN HB3 H 1 2.061 0.020 . 2 . . . . 523 GLN HB3 . 15710 1 558 . 1 1 51 51 GLN HG2 H 1 2.524 0.020 . 2 . . . . 523 GLN HG2 . 15710 1 559 . 1 1 51 51 GLN HG3 H 1 2.215 0.020 . 2 . . . . 523 GLN HG3 . 15710 1 560 . 1 1 51 51 GLN CA C 13 56.030 0.200 . 1 . . . . 523 GLN CA . 15710 1 561 . 1 1 51 51 GLN CB C 13 29.640 0.200 . 1 . . . . 523 GLN CB . 15710 1 562 . 1 1 51 51 GLN CG C 13 35.116 0.200 . 1 . . . . 523 GLN CG . 15710 1 563 . 1 1 51 51 GLN N N 15 122.970 0.200 . 1 . . . . 523 GLN N . 15710 1 564 . 1 1 52 52 GLU H H 1 8.404 0.020 . 1 . . . . 524 GLU H . 15710 1 565 . 1 1 52 52 GLU HA H 1 5.797 0.020 . 1 . . . . 524 GLU HA . 15710 1 566 . 1 1 52 52 GLU HB2 H 1 1.841 0.020 . 2 . . . . 524 GLU HB2 . 15710 1 567 . 1 1 52 52 GLU HB3 H 1 1.701 0.020 . 2 . . . . 524 GLU HB3 . 15710 1 568 . 1 1 52 52 GLU HG2 H 1 2.310 0.020 . 2 . . . . 524 GLU HG2 . 15710 1 569 . 1 1 52 52 GLU HG3 H 1 2.012 0.020 . 2 . . . . 524 GLU HG3 . 15710 1 570 . 1 1 52 52 GLU CA C 13 53.736 0.200 . 1 . . . . 524 GLU CA . 15710 1 571 . 1 1 52 52 GLU CB C 13 34.114 0.200 . 1 . . . . 524 GLU CB . 15710 1 572 . 1 1 52 52 GLU CG C 13 36.454 0.200 . 1 . . . . 524 GLU CG . 15710 1 573 . 1 1 52 52 GLU N N 15 118.617 0.200 . 1 . . . . 524 GLU N . 15710 1 574 . 1 1 53 53 GLY H H 1 8.444 0.020 . 1 . . . . 525 GLY H . 15710 1 575 . 1 1 53 53 GLY HA2 H 1 4.044 0.020 . 1 . . . . 525 GLY HA2 . 15710 1 576 . 1 1 53 53 GLY HA3 H 1 4.044 0.020 . 1 . . . . 525 GLY HA3 . 15710 1 577 . 1 1 53 53 GLY CA C 13 45.524 0.200 . 1 . . . . 525 GLY CA . 15710 1 578 . 1 1 53 53 GLY N N 15 106.330 0.200 . 1 . . . . 525 GLY N . 15710 1 579 . 1 1 54 54 TYR H H 1 8.913 0.020 . 1 . . . . 526 TYR H . 15710 1 580 . 1 1 54 54 TYR HA H 1 5.770 0.020 . 1 . . . . 526 TYR HA . 15710 1 581 . 1 1 54 54 TYR HB2 H 1 3.153 0.020 . 2 . . . . 526 TYR HB2 . 15710 1 582 . 1 1 54 54 TYR HB3 H 1 2.907 0.020 . 2 . . . . 526 TYR HB3 . 15710 1 583 . 1 1 54 54 TYR HD1 H 1 7.140 0.020 . 3 . . . . 526 TYR HD1 . 15710 1 584 . 1 1 54 54 TYR HD2 H 1 7.140 0.020 . 3 . . . . 526 TYR HD2 . 15710 1 585 . 1 1 54 54 TYR HE1 H 1 6.938 0.020 . 3 . . . . 526 TYR HE1 . 15710 1 586 . 1 1 54 54 TYR HE2 H 1 6.938 0.020 . 3 . . . . 526 TYR HE2 . 15710 1 587 . 1 1 54 54 TYR CA C 13 59.049 0.200 . 1 . . . . 526 TYR CA . 15710 1 588 . 1 1 54 54 TYR CB C 13 41.677 0.200 . 1 . . . . 526 TYR CB . 15710 1 589 . 1 1 54 54 TYR CD1 C 13 133.007 0.200 . 3 . . . . 526 TYR CD1 . 15710 1 590 . 1 1 54 54 TYR CD2 C 13 133.007 0.200 . 3 . . . . 526 TYR CD2 . 15710 1 591 . 1 1 54 54 TYR CE1 C 13 118.078 0.200 . 3 . . . . 526 TYR CE1 . 15710 1 592 . 1 1 54 54 TYR CE2 C 13 118.078 0.200 . 3 . . . . 526 TYR CE2 . 15710 1 593 . 1 1 54 54 TYR N N 15 118.541 0.200 . 1 . . . . 526 TYR N . 15710 1 594 . 1 1 55 55 VAL H H 1 9.027 0.020 . 1 . . . . 527 VAL H . 15710 1 595 . 1 1 55 55 VAL HA H 1 4.665 0.020 . 1 . . . . 527 VAL HA . 15710 1 596 . 1 1 55 55 VAL HB H 1 1.781 0.020 . 1 . . . . 527 VAL HB . 15710 1 597 . 1 1 55 55 VAL HG11 H 1 1.125 0.020 . 1 . . . . 527 VAL HG1 . 15710 1 598 . 1 1 55 55 VAL HG12 H 1 1.125 0.020 . 1 . . . . 527 VAL HG1 . 15710 1 599 . 1 1 55 55 VAL HG13 H 1 1.125 0.020 . 1 . . . . 527 VAL HG1 . 15710 1 600 . 1 1 55 55 VAL HG21 H 1 0.832 0.020 . 1 . . . . 527 VAL HG2 . 15710 1 601 . 1 1 55 55 VAL HG22 H 1 0.832 0.020 . 1 . . . . 527 VAL HG2 . 15710 1 602 . 1 1 55 55 VAL HG23 H 1 0.832 0.020 . 1 . . . . 527 VAL HG2 . 15710 1 603 . 1 1 55 55 VAL CA C 13 58.159 0.200 . 1 . . . . 527 VAL CA . 15710 1 604 . 1 1 55 55 VAL CB C 13 34.495 0.200 . 1 . . . . 527 VAL CB . 15710 1 605 . 1 1 55 55 VAL CG1 C 13 23.224 0.200 . 1 . . . . 527 VAL CG1 . 15710 1 606 . 1 1 55 55 VAL CG2 C 13 21.034 0.200 . 1 . . . . 527 VAL CG2 . 15710 1 607 . 1 1 55 55 VAL N N 15 113.437 0.200 . 1 . . . . 527 VAL N . 15710 1 608 . 1 1 56 56 PRO HA H 1 3.475 0.020 . 1 . . . . 528 PRO HA . 15710 1 609 . 1 1 56 56 PRO HB2 H 1 1.389 0.020 . 2 . . . . 528 PRO HB2 . 15710 1 610 . 1 1 56 56 PRO HB3 H 1 1.162 0.020 . 2 . . . . 528 PRO HB3 . 15710 1 611 . 1 1 56 56 PRO HD2 H 1 2.250 0.020 . 2 . . . . 528 PRO HD2 . 15710 1 612 . 1 1 56 56 PRO HD3 H 1 2.148 0.020 . 2 . . . . 528 PRO HD3 . 15710 1 613 . 1 1 56 56 PRO HG2 H 1 1.383 0.020 . 2 . . . . 528 PRO HG2 . 15710 1 614 . 1 1 56 56 PRO HG3 H 1 0.891 0.020 . 2 . . . . 528 PRO HG3 . 15710 1 615 . 1 1 56 56 PRO CA C 13 62.539 0.200 . 1 . . . . 528 PRO CA . 15710 1 616 . 1 1 56 56 PRO CB C 13 31.250 0.200 . 1 . . . . 528 PRO CB . 15710 1 617 . 1 1 56 56 PRO CD C 13 49.116 0.200 . 1 . . . . 528 PRO CD . 15710 1 618 . 1 1 56 56 PRO CG C 13 27.284 0.200 . 1 . . . . 528 PRO CG . 15710 1 619 . 1 1 57 57 TYR H H 1 7.756 0.020 . 1 . . . . 529 TYR H . 15710 1 620 . 1 1 57 57 TYR HA H 1 3.089 0.020 . 1 . . . . 529 TYR HA . 15710 1 621 . 1 1 57 57 TYR HB2 H 1 1.985 0.020 . 2 . . . . 529 TYR HB2 . 15710 1 622 . 1 1 57 57 TYR HB3 H 1 1.541 0.020 . 2 . . . . 529 TYR HB3 . 15710 1 623 . 1 1 57 57 TYR HD1 H 1 6.933 0.020 . 3 . . . . 529 TYR HD1 . 15710 1 624 . 1 1 57 57 TYR HD2 H 1 6.933 0.020 . 3 . . . . 529 TYR HD2 . 15710 1 625 . 1 1 57 57 TYR HE1 H 1 6.725 0.020 . 3 . . . . 529 TYR HE1 . 15710 1 626 . 1 1 57 57 TYR HE2 H 1 6.725 0.020 . 3 . . . . 529 TYR HE2 . 15710 1 627 . 1 1 57 57 TYR CA C 13 59.515 0.200 . 1 . . . . 529 TYR CA . 15710 1 628 . 1 1 57 57 TYR CB C 13 35.142 0.200 . 1 . . . . 529 TYR CB . 15710 1 629 . 1 1 57 57 TYR CD1 C 13 133.217 0.200 . 1 . . . . 529 TYR CD . 15710 1 630 . 1 1 57 57 TYR CD2 C 13 133.217 0.200 . 1 . . . . 529 TYR CD . 15710 1 631 . 1 1 57 57 TYR CE1 C 13 117.724 0.200 . 1 . . . . 529 TYR CE . 15710 1 632 . 1 1 57 57 TYR CE2 C 13 117.724 0.200 . 1 . . . . 529 TYR CE . 15710 1 633 . 1 1 57 57 TYR N N 15 119.127 0.200 . 1 . . . . 529 TYR N . 15710 1 634 . 1 1 58 58 ASN H H 1 7.034 0.020 . 1 . . . . 530 ASN H . 15710 1 635 . 1 1 58 58 ASN HA H 1 3.780 0.020 . 1 . . . . 530 ASN HA . 15710 1 636 . 1 1 58 58 ASN HB2 H 1 2.584 0.020 . 2 . . . . 530 ASN HB2 . 15710 1 637 . 1 1 58 58 ASN HB3 H 1 1.723 0.020 . 2 . . . . 530 ASN HB3 . 15710 1 638 . 1 1 58 58 ASN CA C 13 54.201 0.200 . 1 . . . . 530 ASN CA . 15710 1 639 . 1 1 58 58 ASN CB C 13 36.586 0.200 . 1 . . . . 530 ASN CB . 15710 1 640 . 1 1 58 58 ASN N N 15 113.481 0.200 . 1 . . . . 530 ASN N . 15710 1 641 . 1 1 59 59 ILE H H 1 6.586 0.020 . 1 . . . . 531 ILE H . 15710 1 642 . 1 1 59 59 ILE HA H 1 4.572 0.020 . 1 . . . . 531 ILE HA . 15710 1 643 . 1 1 59 59 ILE HB H 1 2.355 0.020 . 1 . . . . 531 ILE HB . 15710 1 644 . 1 1 59 59 ILE HD11 H 1 0.733 0.020 . 1 . . . . 531 ILE HD1 . 15710 1 645 . 1 1 59 59 ILE HD12 H 1 0.733 0.020 . 1 . . . . 531 ILE HD1 . 15710 1 646 . 1 1 59 59 ILE HD13 H 1 0.733 0.020 . 1 . . . . 531 ILE HD1 . 15710 1 647 . 1 1 59 59 ILE HG12 H 1 1.318 0.020 . 2 . . . . 531 ILE HG12 . 15710 1 648 . 1 1 59 59 ILE HG13 H 1 1.106 0.020 . 2 . . . . 531 ILE HG13 . 15710 1 649 . 1 1 59 59 ILE HG21 H 1 0.645 0.020 . 1 . . . . 531 ILE HG2 . 15710 1 650 . 1 1 59 59 ILE HG22 H 1 0.645 0.020 . 1 . . . . 531 ILE HG2 . 15710 1 651 . 1 1 59 59 ILE HG23 H 1 0.645 0.020 . 1 . . . . 531 ILE HG2 . 15710 1 652 . 1 1 59 59 ILE CA C 13 61.317 0.200 . 1 . . . . 531 ILE CA . 15710 1 653 . 1 1 59 59 ILE CB C 13 38.091 0.200 . 1 . . . . 531 ILE CB . 15710 1 654 . 1 1 59 59 ILE CD1 C 13 15.497 0.200 . 1 . . . . 531 ILE CD1 . 15710 1 655 . 1 1 59 59 ILE CG1 C 13 24.651 0.200 . 1 . . . . 531 ILE CG1 . 15710 1 656 . 1 1 59 59 ILE CG2 C 13 17.089 0.200 . 1 . . . . 531 ILE CG2 . 15710 1 657 . 1 1 59 59 ILE N N 15 111.062 0.200 . 1 . . . . 531 ILE N . 15710 1 658 . 1 1 60 60 LEU H H 1 7.038 0.020 . 1 . . . . 532 LEU H . 15710 1 659 . 1 1 60 60 LEU HA H 1 5.227 0.020 . 1 . . . . 532 LEU HA . 15710 1 660 . 1 1 60 60 LEU HB2 H 1 1.609 0.020 . 2 . . . . 532 LEU HB2 . 15710 1 661 . 1 1 60 60 LEU HB3 H 1 1.039 0.020 . 2 . . . . 532 LEU HB3 . 15710 1 662 . 1 1 60 60 LEU HD11 H 1 0.672 0.020 . 1 . . . . 532 LEU HD1 . 15710 1 663 . 1 1 60 60 LEU HD12 H 1 0.672 0.020 . 1 . . . . 532 LEU HD1 . 15710 1 664 . 1 1 60 60 LEU HD13 H 1 0.672 0.020 . 1 . . . . 532 LEU HD1 . 15710 1 665 . 1 1 60 60 LEU HD21 H 1 0.672 0.020 . 1 . . . . 532 LEU HD2 . 15710 1 666 . 1 1 60 60 LEU HD22 H 1 0.672 0.020 . 1 . . . . 532 LEU HD2 . 15710 1 667 . 1 1 60 60 LEU HD23 H 1 0.672 0.020 . 1 . . . . 532 LEU HD2 . 15710 1 668 . 1 1 60 60 LEU HG H 1 1.492 0.020 . 1 . . . . 532 LEU HG . 15710 1 669 . 1 1 60 60 LEU CA C 13 53.315 0.200 . 1 . . . . 532 LEU CA . 15710 1 670 . 1 1 60 60 LEU CB C 13 43.837 0.200 . 1 . . . . 532 LEU CB . 15710 1 671 . 1 1 60 60 LEU CD1 C 13 22.937 0.200 . 2 . . . . 532 LEU CD1 . 15710 1 672 . 1 1 60 60 LEU CD2 C 13 22.987 0.200 . 2 . . . . 532 LEU CD2 . 15710 1 673 . 1 1 60 60 LEU CG C 13 26.144 0.200 . 1 . . . . 532 LEU CG . 15710 1 674 . 1 1 60 60 LEU N N 15 120.917 0.200 . 1 . . . . 532 LEU N . 15710 1 675 . 1 1 61 61 THR H H 1 8.856 0.020 . 1 . . . . 533 THR H . 15710 1 676 . 1 1 61 61 THR HA H 1 4.992 0.020 . 1 . . . . 533 THR HA . 15710 1 677 . 1 1 61 61 THR HB H 1 4.120 0.020 . 1 . . . . 533 THR HB . 15710 1 678 . 1 1 61 61 THR HG21 H 1 1.301 0.020 . 1 . . . . 533 THR HG2 . 15710 1 679 . 1 1 61 61 THR HG22 H 1 1.301 0.020 . 1 . . . . 533 THR HG2 . 15710 1 680 . 1 1 61 61 THR HG23 H 1 1.301 0.020 . 1 . . . . 533 THR HG2 . 15710 1 681 . 1 1 61 61 THR CA C 13 59.316 0.200 . 1 . . . . 533 THR CA . 15710 1 682 . 1 1 61 61 THR CB C 13 71.831 0.200 . 1 . . . . 533 THR CB . 15710 1 683 . 1 1 61 61 THR CG2 C 13 21.761 0.200 . 1 . . . . 533 THR CG2 . 15710 1 684 . 1 1 61 61 THR N N 15 116.469 0.200 . 1 . . . . 533 THR N . 15710 1 685 . 1 1 62 62 PRO HA H 1 4.685 0.020 . 1 . . . . 534 PRO HA . 15710 1 686 . 1 1 62 62 PRO HB2 H 1 2.567 0.020 . 2 . . . . 534 PRO HB2 . 15710 1 687 . 1 1 62 62 PRO HB3 H 1 1.997 0.020 . 2 . . . . 534 PRO HB3 . 15710 1 688 . 1 1 62 62 PRO HD2 H 1 4.009 0.020 . 2 . . . . 534 PRO HD2 . 15710 1 689 . 1 1 62 62 PRO HD3 H 1 3.826 0.020 . 2 . . . . 534 PRO HD3 . 15710 1 690 . 1 1 62 62 PRO HG2 H 1 2.255 0.020 . 2 . . . . 534 PRO HG2 . 15710 1 691 . 1 1 62 62 PRO HG3 H 1 2.102 0.020 . 2 . . . . 534 PRO HG3 . 15710 1 692 . 1 1 62 62 PRO CA C 13 64.349 0.200 . 1 . . . . 534 PRO CA . 15710 1 693 . 1 1 62 62 PRO CB C 13 32.763 0.200 . 1 . . . . 534 PRO CB . 15710 1 694 . 1 1 62 62 PRO CD C 13 51.811 0.200 . 1 . . . . 534 PRO CD . 15710 1 695 . 1 1 62 62 PRO CG C 13 28.212 0.200 . 1 . . . . 534 PRO CG . 15710 1 696 . 1 1 63 63 TYR H H 1 8.437 0.020 . 1 . . . . 535 TYR H . 15710 1 697 . 1 1 63 63 TYR HA H 1 4.964 0.020 . 1 . . . . 535 TYR HA . 15710 1 698 . 1 1 63 63 TYR HB2 H 1 2.993 0.020 . 2 . . . . 535 TYR HB2 . 15710 1 699 . 1 1 63 63 TYR HB3 H 1 2.853 0.020 . 2 . . . . 535 TYR HB3 . 15710 1 700 . 1 1 63 63 TYR HD1 H 1 7.076 0.020 . 3 . . . . 535 TYR HD1 . 15710 1 701 . 1 1 63 63 TYR HD2 H 1 7.076 0.020 . 3 . . . . 535 TYR HD2 . 15710 1 702 . 1 1 63 63 TYR HE1 H 1 6.749 0.020 . 3 . . . . 535 TYR HE1 . 15710 1 703 . 1 1 63 63 TYR HE2 H 1 6.749 0.020 . 3 . . . . 535 TYR HE2 . 15710 1 704 . 1 1 63 63 TYR CA C 13 55.538 0.200 . 1 . . . . 535 TYR CA . 15710 1 705 . 1 1 63 63 TYR CB C 13 40.337 0.200 . 1 . . . . 535 TYR CB . 15710 1 706 . 1 1 63 63 TYR CD1 C 13 132.884 0.200 . 3 . . . . 535 TYR CD1 . 15710 1 707 . 1 1 63 63 TYR CD2 C 13 132.884 0.200 . 3 . . . . 535 TYR CD2 . 15710 1 708 . 1 1 63 63 TYR CE1 C 13 118.216 0.200 . 3 . . . . 535 TYR CE1 . 15710 1 709 . 1 1 63 63 TYR CE2 C 13 118.216 0.200 . 3 . . . . 535 TYR CE2 . 15710 1 710 . 1 1 63 63 TYR N N 15 125.786 0.200 . 1 . . . . 535 TYR N . 15710 1 711 . 1 1 64 64 PRO HA H 1 4.441 0.020 . 1 . . . . 536 PRO HA . 15710 1 712 . 1 1 64 64 PRO HB2 H 1 2.177 0.020 . 2 . . . . 536 PRO HB2 . 15710 1 713 . 1 1 64 64 PRO HB3 H 1 1.880 0.020 . 2 . . . . 536 PRO HB3 . 15710 1 714 . 1 1 64 64 PRO HD2 H 1 3.658 0.020 . 2 . . . . 536 PRO HD2 . 15710 1 715 . 1 1 64 64 PRO HD3 H 1 3.067 0.020 . 2 . . . . 536 PRO HD3 . 15710 1 716 . 1 1 64 64 PRO HG2 H 1 1.884 0.020 . 2 . . . . 536 PRO HG2 . 15710 1 717 . 1 1 64 64 PRO HG3 H 1 1.831 0.020 . 2 . . . . 536 PRO HG3 . 15710 1 718 . 1 1 64 64 PRO CA C 13 63.410 0.200 . 1 . . . . 536 PRO CA . 15710 1 719 . 1 1 64 64 PRO CB C 13 31.771 0.200 . 1 . . . . 536 PRO CB . 15710 1 720 . 1 1 64 64 PRO CD C 13 50.839 0.200 . 1 . . . . 536 PRO CD . 15710 1 721 . 1 1 64 64 PRO CG C 13 27.287 0.200 . 1 . . . . 536 PRO CG . 15710 1 722 . 1 1 65 65 ALA H H 1 7.802 0.020 . 1 . . . . 537 ALA H . 15710 1 723 . 1 1 65 65 ALA HA H 1 4.150 0.020 . 1 . . . . 537 ALA HA . 15710 1 724 . 1 1 65 65 ALA HB1 H 1 1.287 0.020 . 1 . . . . 537 ALA HB . 15710 1 725 . 1 1 65 65 ALA HB2 H 1 1.287 0.020 . 1 . . . . 537 ALA HB . 15710 1 726 . 1 1 65 65 ALA HB3 H 1 1.287 0.020 . 1 . . . . 537 ALA HB . 15710 1 727 . 1 1 65 65 ALA CA C 13 52.225 0.200 . 1 . . . . 537 ALA CA . 15710 1 728 . 1 1 65 65 ALA CB C 13 19.401 0.200 . 1 . . . . 537 ALA CB . 15710 1 729 . 1 1 65 65 ALA N N 15 123.497 0.200 . 1 . . . . 537 ALA N . 15710 1 730 . 1 1 66 66 ALA H H 1 7.876 0.020 . 1 . . . . 538 ALA H . 15710 1 731 . 1 1 66 66 ALA HA H 1 4.184 0.020 . 1 . . . . 538 ALA HA . 15710 1 732 . 1 1 66 66 ALA HB1 H 1 1.325 0.020 . 1 . . . . 538 ALA HB . 15710 1 733 . 1 1 66 66 ALA HB2 H 1 1.325 0.020 . 1 . . . . 538 ALA HB . 15710 1 734 . 1 1 66 66 ALA HB3 H 1 1.325 0.020 . 1 . . . . 538 ALA HB . 15710 1 735 . 1 1 66 66 ALA CA C 13 52.225 0.200 . 1 . . . . 538 ALA CA . 15710 1 736 . 1 1 66 66 ALA CB C 13 19.416 0.200 . 1 . . . . 538 ALA CB . 15710 1 737 . 1 1 66 66 ALA N N 15 122.547 0.200 . 1 . . . . 538 ALA N . 15710 1 738 . 1 1 67 67 ALA H H 1 8.117 0.020 . 1 . . . . 539 ALA H . 15710 1 739 . 1 1 67 67 ALA HA H 1 4.349 0.020 . 1 . . . . 539 ALA HA . 15710 1 740 . 1 1 67 67 ALA HB1 H 1 1.414 0.020 . 1 . . . . 539 ALA HB . 15710 1 741 . 1 1 67 67 ALA HB2 H 1 1.414 0.020 . 1 . . . . 539 ALA HB . 15710 1 742 . 1 1 67 67 ALA HB3 H 1 1.414 0.020 . 1 . . . . 539 ALA HB . 15710 1 743 . 1 1 67 67 ALA CA C 13 52.501 0.200 . 1 . . . . 539 ALA CA . 15710 1 744 . 1 1 67 67 ALA CB C 13 19.520 0.200 . 1 . . . . 539 ALA CB . 15710 1 745 . 1 1 67 67 ALA N N 15 123.546 0.200 . 1 . . . . 539 ALA N . 15710 1 746 . 1 1 68 68 SER H H 1 7.852 0.020 . 1 . . . . 540 SER H . 15710 1 747 . 1 1 68 68 SER CA C 13 59.914 0.200 . 1 . . . . 540 SER CA . 15710 1 748 . 1 1 68 68 SER CB C 13 64.945 0.200 . 1 . . . . 540 SER CB . 15710 1 749 . 1 1 68 68 SER N N 15 120.675 0.200 . 1 . . . . 540 SER N . 15710 1 stop_ save_