data_34048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34048 _Entry.Title ; Solution structure of isolated 15th Fibronectin III domain from human fibronectin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-04 _Entry.Accession_date 2016-10-04 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.10 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Waltho J. P. . . 34048 2 M. Cliff M. J. . . 34048 3 E. Blumson E. . . . 34048 4 M. Humphries M. . . . 34048 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Fibronectin III domain' . 34048 'beta sheet protein' . 34048 'cell adhesion' . 34048 inflammation . 34048 'integrin binding' . 34048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 34048 '15N chemical shifts' 90 34048 '1H chemical shifts' 583 34048 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 . . 2017-11-21 . original BMRB . 34048 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5M0A 'BMRB Entry Tracking System' 34048 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of isolated 15th Fibronectin III domain from human fibronectin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Waltho J. P. . . 34048 1 2 M. Cliff M. J. . . 34048 1 3 E. Blumson E. . . . 34048 1 4 M. Humphries M. . . . 34048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34048 _Assembly.ID 1 _Assembly.Name Fibronectin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fibronectin _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 ; NASTGQEALSQTTISWAPFQ DTSEYIISCHPVGTDEEPLQ FRVPGTSTSATLTGLTRGAT YNIIVEALKDQQRHKVREEV VTVGNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment '15th Fibronectin III domain, UNP residues 2108-2193' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9344.231 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; sequence numbering starts from 395. construct is actually from residue 2109 of human fibronectin ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CIG na 34048 1 'Cold-insoluble globulin' na 34048 1 FN na 34048 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 1 395 ASN . 34048 1 2 396 ALA . 34048 1 3 397 SER . 34048 1 4 398 THR . 34048 1 5 399 GLY . 34048 1 6 400 GLN . 34048 1 7 401 GLU . 34048 1 8 402 ALA . 34048 1 9 403 LEU . 34048 1 10 404 SER . 34048 1 11 405 GLN . 34048 1 12 406 THR . 34048 1 13 407 THR . 34048 1 14 408 ILE . 34048 1 15 409 SER . 34048 1 16 410 TRP . 34048 1 17 411 ALA . 34048 1 18 412 PRO . 34048 1 19 413 PHE . 34048 1 20 414 GLN . 34048 1 21 415 ASP . 34048 1 22 416 THR . 34048 1 23 417 SER . 34048 1 24 418 GLU . 34048 1 25 419 TYR . 34048 1 26 420 ILE . 34048 1 27 421 ILE . 34048 1 28 422 SER . 34048 1 29 423 CYS . 34048 1 30 424 HIS . 34048 1 31 425 PRO . 34048 1 32 426 VAL . 34048 1 33 427 GLY . 34048 1 34 428 THR . 34048 1 35 429 ASP . 34048 1 36 430 GLU . 34048 1 37 431 GLU . 34048 1 38 432 PRO . 34048 1 39 433 LEU . 34048 1 40 434 GLN . 34048 1 41 435 PHE . 34048 1 42 436 ARG . 34048 1 43 437 VAL . 34048 1 44 438 PRO . 34048 1 45 439 GLY . 34048 1 46 440 THR . 34048 1 47 441 SER . 34048 1 48 442 THR . 34048 1 49 443 SER . 34048 1 50 444 ALA . 34048 1 51 445 THR . 34048 1 52 446 LEU . 34048 1 53 447 THR . 34048 1 54 448 GLY . 34048 1 55 449 LEU . 34048 1 56 450 THR . 34048 1 57 451 ARG . 34048 1 58 452 GLY . 34048 1 59 453 ALA . 34048 1 60 454 THR . 34048 1 61 455 TYR . 34048 1 62 456 ASN . 34048 1 63 457 ILE . 34048 1 64 458 ILE . 34048 1 65 459 VAL . 34048 1 66 460 GLU . 34048 1 67 461 ALA . 34048 1 68 462 LEU . 34048 1 69 463 LYS . 34048 1 70 464 ASP . 34048 1 71 465 GLN . 34048 1 72 466 GLN . 34048 1 73 467 ARG . 34048 1 74 468 HIS . 34048 1 75 469 LYS . 34048 1 76 470 VAL . 34048 1 77 471 ARG . 34048 1 78 472 GLU . 34048 1 79 473 GLU . 34048 1 80 474 VAL . 34048 1 81 475 VAL . 34048 1 82 476 THR . 34048 1 83 477 VAL . 34048 1 84 478 GLY . 34048 1 85 479 ASN . 34048 1 86 480 SER . 34048 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 . ASN 1 1 34048 1 . ALA 2 2 34048 1 . SER 3 3 34048 1 . THR 4 4 34048 1 . GLY 5 5 34048 1 . GLN 6 6 34048 1 . GLU 7 7 34048 1 . ALA 8 8 34048 1 . LEU 9 9 34048 1 . SER 10 10 34048 1 . GLN 11 11 34048 1 . THR 12 12 34048 1 . THR 13 13 34048 1 . ILE 14 14 34048 1 . SER 15 15 34048 1 . TRP 16 16 34048 1 . ALA 17 17 34048 1 . PRO 18 18 34048 1 . PHE 19 19 34048 1 . GLN 20 20 34048 1 . ASP 21 21 34048 1 . THR 22 22 34048 1 . SER 23 23 34048 1 . GLU 24 24 34048 1 . TYR 25 25 34048 1 . ILE 26 26 34048 1 . ILE 27 27 34048 1 . SER 28 28 34048 1 . CYS 29 29 34048 1 . HIS 30 30 34048 1 . PRO 31 31 34048 1 . VAL 32 32 34048 1 . GLY 33 33 34048 1 . THR 34 34 34048 1 . ASP 35 35 34048 1 . GLU 36 36 34048 1 . GLU 37 37 34048 1 . PRO 38 38 34048 1 . LEU 39 39 34048 1 . GLN 40 40 34048 1 . PHE 41 41 34048 1 . ARG 42 42 34048 1 . VAL 43 43 34048 1 . PRO 44 44 34048 1 . GLY 45 45 34048 1 . THR 46 46 34048 1 . SER 47 47 34048 1 . THR 48 48 34048 1 . SER 49 49 34048 1 . ALA 50 50 34048 1 . THR 51 51 34048 1 . LEU 52 52 34048 1 . THR 53 53 34048 1 . GLY 54 54 34048 1 . LEU 55 55 34048 1 . THR 56 56 34048 1 . ARG 57 57 34048 1 . GLY 58 58 34048 1 . ALA 59 59 34048 1 . THR 60 60 34048 1 . TYR 61 61 34048 1 . ASN 62 62 34048 1 . ILE 63 63 34048 1 . ILE 64 64 34048 1 . VAL 65 65 34048 1 . GLU 66 66 34048 1 . ALA 67 67 34048 1 . LEU 68 68 34048 1 . LYS 69 69 34048 1 . ASP 70 70 34048 1 . GLN 71 71 34048 1 . GLN 72 72 34048 1 . ARG 73 73 34048 1 . HIS 74 74 34048 1 . LYS 75 75 34048 1 . VAL 76 76 34048 1 . ARG 77 77 34048 1 . GLU 78 78 34048 1 . GLU 79 79 34048 1 . VAL 80 80 34048 1 . VAL 81 81 34048 1 . THR 82 82 34048 1 . VAL 83 83 34048 1 . GLY 84 84 34048 1 . ASN 85 85 34048 1 . SER 86 86 34048 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 34048 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'FN1, FN' . 34048 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 34048 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34048 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM TRIS, 150 mM sodium chloride, 0.02 ug/mL TSP, 1 mM sodium azide, 0.35 mM [U-13C; U-15N] 15th Fibronectin III domain from human fibronectin, 0.5 mM EDTA, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '15th Fibronectin III domain from human fibronectin' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.35 . . mM 0.02 . . . 34048 1 2 EDTA 'natural abundance' . . . . . . 0.5 . . mM 0.02 . . . 34048 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM 0.2 . . . 34048 1 4 TSP 'natural abundance' . . . . . . 0.00002 . . mg/mL 0.0000002 . . . 34048 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM 0.02 . . . 34048 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.2 . . . 34048 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34048 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34048 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34048 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM [U-2H] TRIS, 0.35 mM [U-13C; U-15N] 15th Fibronectin III domain from human fibronectin, 150 mM sodium chloride, 1 mM sodium azide, 0.02 ug/mL TSP, 0.5 mM EDTA, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '15th Fibronectin III domain from human fibronectin' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.35 . . mM 0.2 . . . 34048 2 2 EDTA 'natural abundance' . . . . . . 0.5 . . mM 0.2 . . . 34048 2 3 TRIS [U-2H] . . . . . . 10 . . mM 0.2 . . . 34048 2 4 TSP 'natural abundance' . . . . . . 0.00002 . . mg/mL 0.0000002 . . . 34048 2 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 34048 2 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.2 . . . 34048 2 7 D2O 'natural abundance' . . . . . . 100 . . mM . . . . 34048 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34048 _Sample_condition_list.ID 2 _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' 161 . mM 34048 2 pH 6.5 . pH* 34048 2 pressure 1 . bar 34048 2 temperature 298 . K 34048 2 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34048 _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' 161 . mM 34048 1 pH 6.5 . pH 34048 1 pressure 1 . bar 34048 1 temperature 298 . K 34048 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34048 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34048 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34048 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version 2.4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34048 2 'peak picking' 34048 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34048 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34048 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34048 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34048 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'at MRC Crick' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34048 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 34048 1 2 NMR_spectrometer_2 Bruker AvanceIII . 950 . . . 34048 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 34048 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 2 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 4 '3d hncocacb' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 5 '3d HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34048 1 9 '2D 1H-13C trosy aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34048 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34048 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 14 '3D 1H-13C TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34048 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34048 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34048 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34048 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34048 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34048 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34048 1 2 '3D HNCOCA' . . . 34048 1 3 '3D HNCACB' . . . 34048 1 4 '3d hncocacb' . . . 34048 1 5 '3d HNCO' . . . 34048 1 6 '3D HNCACO' . . . 34048 1 7 '2D 1H-15N HSQC' . . . 34048 1 8 '2D 1H-13C HSQC aliphatic' . . . 34048 1 9 '2D 1H-13C trosy aromatic' . . . 34048 1 10 '3D 1H-15N NOESY' . . . 34048 1 11 '3D 1H-13C NOESY aliphatic' . . . 34048 1 12 '3D HCCH-TOCSY' . . . 34048 1 13 '3D 1H-15N TOCSY' . . . 34048 1 14 '3D 1H-13C TOCSY' . . . 34048 1 15 '3D 1H-13C NOESY aromatic' . . . 34048 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.66 0.01 . 1 . . . . A 395 ASN HA . 34048 1 2 . 1 1 1 1 ASN HB2 H 1 2.78 0.00 . 1 . . . . A 395 ASN HB2 . 34048 1 3 . 1 1 1 1 ASN HB3 H 1 2.69 0.00 . 1 . . . . A 395 ASN HB3 . 34048 1 4 . 1 1 1 1 ASN HD21 H 1 6.85 0.00 . 1 . . . . A 395 ASN HD21 . 34048 1 5 . 1 1 1 1 ASN HD22 H 1 7.52 0.01 . 1 . . . . A 395 ASN HD22 . 34048 1 6 . 1 1 1 1 ASN H H 1 8.26 0.02 . 1 . . . . A 395 ASN H1 . 34048 1 7 . 1 1 1 1 ASN CA C 13 53.25 0.02 . 1 . . . . A 395 ASN CA . 34048 1 8 . 1 1 1 1 ASN CB C 13 38.89 0.05 . 1 . . . . A 395 ASN CB . 34048 1 9 . 1 1 1 1 ASN N N 15 116.31 0.02 . 1 . . . . A 395 ASN N . 34048 1 10 . 1 1 1 1 ASN ND2 N 15 112.93 0.05 . 1 . . . . A 395 ASN ND2 . 34048 1 11 . 1 1 2 2 ALA H H 1 8.11 0.01 . 1 . . . . A 396 ALA H . 34048 1 12 . 1 1 2 2 ALA HA H 1 4.25 0.01 . 1 . . . . A 396 ALA HA . 34048 1 13 . 1 1 2 2 ALA HB1 H 1 1.31 0.00 . 1 . . . . A 396 ALA HB1 . 34048 1 14 . 1 1 2 2 ALA HB2 H 1 1.31 0.00 . 1 . . . . A 396 ALA HB2 . 34048 1 15 . 1 1 2 2 ALA HB3 H 1 1.31 0.00 . 1 . . . . A 396 ALA HB3 . 34048 1 16 . 1 1 2 2 ALA CA C 13 52.81 0.09 . 1 . . . . A 396 ALA CA . 34048 1 17 . 1 1 2 2 ALA CB C 13 19.18 0.00 . 1 . . . . A 396 ALA CB . 34048 1 18 . 1 1 2 2 ALA N N 15 123.95 0.06 . 1 . . . . A 396 ALA N . 34048 1 19 . 1 1 3 3 SER H H 1 8.25 0.00 . 1 . . . . A 397 SER H . 34048 1 20 . 1 1 3 3 SER HA H 1 4.44 0.01 . 1 . . . . A 397 SER HA . 34048 1 21 . 1 1 3 3 SER HB2 H 1 3.82 0.01 . 1 . . . . A 397 SER HB2 . 34048 1 22 . 1 1 3 3 SER HB3 H 1 3.81 0.02 . 1 . . . . A 397 SER HB3 . 34048 1 23 . 1 1 3 3 SER CA C 13 58.35 0.03 . 1 . . . . A 397 SER CA . 34048 1 24 . 1 1 3 3 SER CB C 13 63.71 0.02 . 1 . . . . A 397 SER CB . 34048 1 25 . 1 1 3 3 SER N N 15 114.96 0.01 . 1 . . . . A 397 SER N . 34048 1 26 . 1 1 4 4 THR H H 1 8.16 0.01 . 1 . . . . A 398 THR H . 34048 1 27 . 1 1 4 4 THR HA H 1 4.31 0.00 . 1 . . . . A 398 THR HA . 34048 1 28 . 1 1 4 4 THR HB H 1 4.22 0.00 . 1 . . . . A 398 THR HB . 34048 1 29 . 1 1 4 4 THR HG21 H 1 1.14 0.00 . 1 . . . . A 398 THR HG21 . 34048 1 30 . 1 1 4 4 THR HG22 H 1 1.14 0.00 . 1 . . . . A 398 THR HG22 . 34048 1 31 . 1 1 4 4 THR HG23 H 1 1.14 0.00 . 1 . . . . A 398 THR HG23 . 34048 1 32 . 1 1 4 4 THR CA C 13 61.93 0.03 . 1 . . . . A 398 THR CA . 34048 1 33 . 1 1 4 4 THR CB C 13 69.83 0.03 . 1 . . . . A 398 THR CB . 34048 1 34 . 1 1 4 4 THR CG2 C 13 21.48 0.00 . 1 . . . . A 398 THR CG2 . 34048 1 35 . 1 1 4 4 THR N N 15 115.12 0.02 . 1 . . . . A 398 THR N . 34048 1 36 . 1 1 5 5 GLY H H 1 8.42 0.01 . 1 . . . . A 399 GLY H . 34048 1 37 . 1 1 5 5 GLY HA2 H 1 3.93 0.02 . 1 . . . . A 399 GLY HA2 . 34048 1 38 . 1 1 5 5 GLY HA3 H 1 3.91 0.01 . 1 . . . . A 399 GLY HA3 . 34048 1 39 . 1 1 5 5 GLY CA C 13 45.46 0.04 . 1 . . . . A 399 GLY CA . 34048 1 40 . 1 1 5 5 GLY N N 15 111.06 0.02 . 1 . . . . A 399 GLY N . 34048 1 41 . 1 1 6 6 GLN H H 1 8.20 0.00 . 1 . . . . A 400 GLN H . 34048 1 42 . 1 1 6 6 GLN HA H 1 4.22 0.00 . 1 . . . . A 400 GLN HA . 34048 1 43 . 1 1 6 6 GLN HB2 H 1 2.04 0.00 . 1 . . . . A 400 GLN HB2 . 34048 1 44 . 1 1 6 6 GLN HB3 H 1 1.88 0.00 . 1 . . . . A 400 GLN HB3 . 34048 1 45 . 1 1 6 6 GLN HG2 H 1 2.25 0.01 . 1 . . . . A 400 GLN HG2 . 34048 1 46 . 1 1 6 6 GLN HG3 H 1 2.25 0.01 . 1 . . . . A 400 GLN HG3 . 34048 1 47 . 1 1 6 6 GLN HE21 H 1 6.76 0.00 . 1 . . . . A 400 GLN HE21 . 34048 1 48 . 1 1 6 6 GLN HE22 H 1 7.48 0.00 . 1 . . . . A 400 GLN HE22 . 34048 1 49 . 1 1 6 6 GLN CA C 13 56.09 0.03 . 1 . . . . A 400 GLN CA . 34048 1 50 . 1 1 6 6 GLN CB C 13 29.28 0.03 . 1 . . . . A 400 GLN CB . 34048 1 51 . 1 1 6 6 GLN CG C 13 33.78 0.09 . 1 . . . . A 400 GLN CG . 34048 1 52 . 1 1 6 6 GLN N N 15 119.73 0.02 . 1 . . . . A 400 GLN N . 34048 1 53 . 1 1 6 6 GLN NE2 N 15 112.52 0.02 . 1 . . . . A 400 GLN NE2 . 34048 1 54 . 1 1 7 7 GLU H H 1 8.54 0.01 . 1 . . . . A 401 GLU H . 34048 1 55 . 1 1 7 7 GLU HA H 1 4.13 0.01 . 1 . . . . A 401 GLU HA . 34048 1 56 . 1 1 7 7 GLU HB2 H 1 1.95 0.01 . 1 . . . . A 401 GLU HB2 . 34048 1 57 . 1 1 7 7 GLU HB3 H 1 1.88 0.00 . 1 . . . . A 401 GLU HB3 . 34048 1 58 . 1 1 7 7 GLU HG2 H 1 2.20 0.01 . 1 . . . . A 401 GLU HG2 . 34048 1 59 . 1 1 7 7 GLU HG3 H 1 2.20 0.00 . 1 . . . . A 401 GLU HG3 . 34048 1 60 . 1 1 7 7 GLU CA C 13 57.16 0.02 . 1 . . . . A 401 GLU CA . 34048 1 61 . 1 1 7 7 GLU CB C 13 29.88 0.03 . 1 . . . . A 401 GLU CB . 34048 1 62 . 1 1 7 7 GLU CG C 13 36.33 0.06 . 1 . . . . A 401 GLU CG . 34048 1 63 . 1 1 7 7 GLU N N 15 121.67 0.02 . 1 . . . . A 401 GLU N . 34048 1 64 . 1 1 8 8 ALA H H 1 8.16 0.01 . 1 . . . . A 402 ALA H . 34048 1 65 . 1 1 8 8 ALA HA H 1 4.22 0.01 . 1 . . . . A 402 ALA HA . 34048 1 66 . 1 1 8 8 ALA HB1 H 1 1.29 0.01 . 1 . . . . A 402 ALA HB1 . 34048 1 67 . 1 1 8 8 ALA HB2 H 1 1.29 0.01 . 1 . . . . A 402 ALA HB2 . 34048 1 68 . 1 1 8 8 ALA HB3 H 1 1.29 0.01 . 1 . . . . A 402 ALA HB3 . 34048 1 69 . 1 1 8 8 ALA CA C 13 52.49 0.03 . 1 . . . . A 402 ALA CA . 34048 1 70 . 1 1 8 8 ALA CB C 13 19.09 0.00 . 1 . . . . A 402 ALA CB . 34048 1 71 . 1 1 8 8 ALA N N 15 124.28 0.03 . 1 . . . . A 402 ALA N . 34048 1 72 . 1 1 9 9 LEU H H 1 7.96 0.01 . 1 . . . . A 403 LEU H . 34048 1 73 . 1 1 9 9 LEU HA H 1 4.40 0.01 . 1 . . . . A 403 LEU HA . 34048 1 74 . 1 1 9 9 LEU HB2 H 1 1.64 0.01 . 1 . . . . A 403 LEU HB2 . 34048 1 75 . 1 1 9 9 LEU HB3 H 1 1.38 0.01 . 1 . . . . A 403 LEU HB3 . 34048 1 76 . 1 1 9 9 LEU HG H 1 1.61 0.01 . 1 . . . . A 403 LEU HG . 34048 1 77 . 1 1 9 9 LEU HD11 H 1 0.77 0.02 . 2 . . . . A 403 LEU HD11 . 34048 1 78 . 1 1 9 9 LEU HD12 H 1 0.77 0.02 . 2 . . . . A 403 LEU HD12 . 34048 1 79 . 1 1 9 9 LEU HD13 H 1 0.77 0.02 . 2 . . . . A 403 LEU HD13 . 34048 1 80 . 1 1 9 9 LEU HD21 H 1 0.81 0.02 . 2 . . . . A 403 LEU HD21 . 34048 1 81 . 1 1 9 9 LEU HD22 H 1 0.81 0.02 . 2 . . . . A 403 LEU HD22 . 34048 1 82 . 1 1 9 9 LEU HD23 H 1 0.81 0.02 . 2 . . . . A 403 LEU HD23 . 34048 1 83 . 1 1 9 9 LEU CA C 13 54.69 0.03 . 1 . . . . A 403 LEU CA . 34048 1 84 . 1 1 9 9 LEU CB C 13 42.84 0.01 . 1 . . . . A 403 LEU CB . 34048 1 85 . 1 1 9 9 LEU CG C 13 26.90 0.11 . 1 . . . . A 403 LEU CG . 34048 1 86 . 1 1 9 9 LEU CD1 C 13 23.36 0.33 . 1 . . . . A 403 LEU CD1 . 34048 1 87 . 1 1 9 9 LEU CD2 C 13 25.33 0.02 . 1 . . . . A 403 LEU CD2 . 34048 1 88 . 1 1 9 9 LEU N N 15 120.41 0.01 . 1 . . . . A 403 LEU N . 34048 1 89 . 1 1 10 10 SER H H 1 8.60 0.01 . 1 . . . . A 404 SER H . 34048 1 90 . 1 1 10 10 SER HA H 1 4.35 0.01 . 1 . . . . A 404 SER HA . 34048 1 91 . 1 1 10 10 SER HB2 H 1 3.69 0.01 . 1 . . . . A 404 SER HB2 . 34048 1 92 . 1 1 10 10 SER HB3 H 1 3.69 0.02 . 1 . . . . A 404 SER HB3 . 34048 1 93 . 1 1 10 10 SER CA C 13 57.63 0.02 . 1 . . . . A 404 SER CA . 34048 1 94 . 1 1 10 10 SER CB C 13 64.28 0.05 . 1 . . . . A 404 SER CB . 34048 1 95 . 1 1 10 10 SER N N 15 116.83 0.04 . 1 . . . . A 404 SER N . 34048 1 96 . 1 1 11 11 GLN H H 1 8.22 0.01 . 1 . . . . A 405 GLN H . 34048 1 97 . 1 1 11 11 GLN HA H 1 4.92 0.01 . 1 . . . . A 405 GLN HA . 34048 1 98 . 1 1 11 11 GLN HB2 H 1 1.80 0.02 . 1 . . . . A 405 GLN HB2 . 34048 1 99 . 1 1 11 11 GLN HB3 H 1 1.76 0.02 . 1 . . . . A 405 GLN HB3 . 34048 1 100 . 1 1 11 11 GLN HG2 H 1 2.12 0.01 . 1 . . . . A 405 GLN HG2 . 34048 1 101 . 1 1 11 11 GLN HG3 H 1 2.12 0.01 . 1 . . . . A 405 GLN HG3 . 34048 1 102 . 1 1 11 11 GLN HE21 H 1 6.66 0.00 . 1 . . . . A 405 GLN HE21 . 34048 1 103 . 1 1 11 11 GLN HE22 H 1 7.32 0.01 . 1 . . . . A 405 GLN HE22 . 34048 1 104 . 1 1 11 11 GLN CA C 13 54.41 0.03 . 1 . . . . A 405 GLN CA . 34048 1 105 . 1 1 11 11 GLN CB C 13 31.89 0.05 . 1 . . . . A 405 GLN CB . 34048 1 106 . 1 1 11 11 GLN CG C 13 33.14 0.03 . 1 . . . . A 405 GLN CG . 34048 1 107 . 1 1 11 11 GLN N N 15 119.05 0.02 . 1 . . . . A 405 GLN N . 34048 1 108 . 1 1 11 11 GLN NE2 N 15 111.62 0.02 . 1 . . . . A 405 GLN NE2 . 34048 1 109 . 1 1 12 12 THR H H 1 8.24 0.01 . 1 . . . . A 406 THR H . 34048 1 110 . 1 1 12 12 THR HA H 1 4.44 0.00 . 1 . . . . A 406 THR HA . 34048 1 111 . 1 1 12 12 THR HB H 1 3.71 0.01 . 1 . . . . A 406 THR HB . 34048 1 112 . 1 1 12 12 THR HG21 H 1 0.86 0.01 . 1 . . . . A 406 THR HG21 . 34048 1 113 . 1 1 12 12 THR HG22 H 1 0.86 0.01 . 1 . . . . A 406 THR HG22 . 34048 1 114 . 1 1 12 12 THR HG23 H 1 0.86 0.01 . 1 . . . . A 406 THR HG23 . 34048 1 115 . 1 1 12 12 THR CA C 13 62.13 0.03 . 1 . . . . A 406 THR CA . 34048 1 116 . 1 1 12 12 THR CB C 13 70.60 0.02 . 1 . . . . A 406 THR CB . 34048 1 117 . 1 1 12 12 THR CG2 C 13 20.02 0.00 . 1 . . . . A 406 THR CG2 . 34048 1 118 . 1 1 12 12 THR N N 15 118.00 0.01 . 1 . . . . A 406 THR N . 34048 1 119 . 1 1 13 13 THR H H 1 8.61 0.01 . 1 . . . . A 407 THR H . 34048 1 120 . 1 1 13 13 THR HA H 1 5.16 0.01 . 1 . . . . A 407 THR HA . 34048 1 121 . 1 1 13 13 THR HB H 1 3.79 0.01 . 1 . . . . A 407 THR HB . 34048 1 122 . 1 1 13 13 THR HG21 H 1 0.91 0.02 . 1 . . . . A 407 THR HG21 . 34048 1 123 . 1 1 13 13 THR HG22 H 1 0.91 0.02 . 1 . . . . A 407 THR HG22 . 34048 1 124 . 1 1 13 13 THR HG23 H 1 0.91 0.02 . 1 . . . . A 407 THR HG23 . 34048 1 125 . 1 1 13 13 THR CA C 13 61.80 0.01 . 1 . . . . A 407 THR CA . 34048 1 126 . 1 1 13 13 THR CB C 13 70.49 0.01 . 1 . . . . A 407 THR CB . 34048 1 127 . 1 1 13 13 THR CG2 C 13 21.23 0.00 . 1 . . . . A 407 THR CG2 . 34048 1 128 . 1 1 13 13 THR N N 15 123.45 0.02 . 1 . . . . A 407 THR N . 34048 1 129 . 1 1 14 14 ILE H H 1 8.63 0.01 . 1 . . . . A 408 ILE H . 34048 1 130 . 1 1 14 14 ILE HA H 1 4.66 0.01 . 1 . . . . A 408 ILE HA . 34048 1 131 . 1 1 14 14 ILE HB H 1 1.72 0.01 . 1 . . . . A 408 ILE HB . 34048 1 132 . 1 1 14 14 ILE HG12 H 1 1.53 0.01 . 1 . . . . A 408 ILE HG12 . 34048 1 133 . 1 1 14 14 ILE HG13 H 1 1.14 0.01 . 1 . . . . A 408 ILE HG13 . 34048 1 134 . 1 1 14 14 ILE HG21 H 1 0.84 0.01 . 1 . . . . A 408 ILE HG21 . 34048 1 135 . 1 1 14 14 ILE HG22 H 1 0.84 0.01 . 1 . . . . A 408 ILE HG22 . 34048 1 136 . 1 1 14 14 ILE HG23 H 1 0.84 0.01 . 1 . . . . A 408 ILE HG23 . 34048 1 137 . 1 1 14 14 ILE HD11 H 1 0.68 0.01 . 1 . . . . A 408 ILE HD11 . 34048 1 138 . 1 1 14 14 ILE HD12 H 1 0.68 0.01 . 1 . . . . A 408 ILE HD12 . 34048 1 139 . 1 1 14 14 ILE HD13 H 1 0.68 0.01 . 1 . . . . A 408 ILE HD13 . 34048 1 140 . 1 1 14 14 ILE CA C 13 58.55 0.09 . 1 . . . . A 408 ILE CA . 34048 1 141 . 1 1 14 14 ILE CB C 13 41.71 0.03 . 1 . . . . A 408 ILE CB . 34048 1 142 . 1 1 14 14 ILE CG1 C 13 27.74 0.06 . 1 . . . . A 408 ILE CG1 . 34048 1 143 . 1 1 14 14 ILE CG2 C 13 16.85 0.01 . 1 . . . . A 408 ILE CG2 . 34048 1 144 . 1 1 14 14 ILE CD1 C 13 13.93 0.04 . 1 . . . . A 408 ILE CD1 . 34048 1 145 . 1 1 14 14 ILE N N 15 124.48 0.04 . 1 . . . . A 408 ILE N . 34048 1 146 . 1 1 15 15 SER H H 1 8.17 0.01 . 1 . . . . A 409 SER H . 34048 1 147 . 1 1 15 15 SER HA H 1 4.79 0.01 . 1 . . . . A 409 SER HA . 34048 1 148 . 1 1 15 15 SER HB2 H 1 3.51 0.01 . 1 . . . . A 409 SER HB2 . 34048 1 149 . 1 1 15 15 SER HB3 H 1 3.51 0.01 . 1 . . . . A 409 SER HB3 . 34048 1 150 . 1 1 15 15 SER CA C 13 57.22 0.02 . 1 . . . . A 409 SER CA . 34048 1 151 . 1 1 15 15 SER CB C 13 66.22 0.02 . 1 . . . . A 409 SER CB . 34048 1 152 . 1 1 15 15 SER N N 15 117.82 0.02 . 1 . . . . A 409 SER N . 34048 1 153 . 1 1 16 16 TRP H H 1 7.63 0.01 . 1 . . . . A 410 TRP H . 34048 1 154 . 1 1 16 16 TRP HA H 1 4.78 0.01 . 1 . . . . A 410 TRP HA . 34048 1 155 . 1 1 16 16 TRP HB2 H 1 2.99 0.01 . 1 . . . . A 410 TRP HB2 . 34048 1 156 . 1 1 16 16 TRP HB3 H 1 2.88 0.01 . 1 . . . . A 410 TRP HB3 . 34048 1 157 . 1 1 16 16 TRP HD1 H 1 6.78 0.01 . 1 . . . . A 410 TRP HD1 . 34048 1 158 . 1 1 16 16 TRP HE1 H 1 6.53 0.01 . 1 . . . . A 410 TRP HE1 . 34048 1 159 . 1 1 16 16 TRP HE3 H 1 6.61 0.01 . 1 . . . . A 410 TRP HE3 . 34048 1 160 . 1 1 16 16 TRP HZ2 H 1 6.33 0.01 . 1 . . . . A 410 TRP HZ2 . 34048 1 161 . 1 1 16 16 TRP HZ3 H 1 6.42 0.01 . 1 . . . . A 410 TRP HZ3 . 34048 1 162 . 1 1 16 16 TRP HH2 H 1 6.36 0.02 . 1 . . . . A 410 TRP HH2 . 34048 1 163 . 1 1 16 16 TRP CA C 13 56.14 0.02 . 1 . . . . A 410 TRP CA . 34048 1 164 . 1 1 16 16 TRP CB C 13 30.47 0.09 . 1 . . . . A 410 TRP CB . 34048 1 165 . 1 1 16 16 TRP CD1 C 13 127.64 0.04 . 1 . . . . A 410 TRP CD1 . 34048 1 166 . 1 1 16 16 TRP CE3 C 13 119.77 0.02 . 1 . . . . A 410 TRP CE3 . 34048 1 167 . 1 1 16 16 TRP CZ2 C 13 113.88 0.01 . 1 . . . . A 410 TRP CZ2 . 34048 1 168 . 1 1 16 16 TRP CZ3 C 13 121.13 0.02 . 1 . . . . A 410 TRP CZ3 . 34048 1 169 . 1 1 16 16 TRP CH2 C 13 123.21 0.02 . 1 . . . . A 410 TRP CH2 . 34048 1 170 . 1 1 16 16 TRP N N 15 117.76 0.02 . 1 . . . . A 410 TRP N . 34048 1 171 . 1 1 16 16 TRP NE1 N 15 125.82 0.03 . 1 . . . . A 410 TRP NE1 . 34048 1 172 . 1 1 17 17 ALA H H 1 8.30 0.01 . 1 . . . . A 411 ALA H . 34048 1 173 . 1 1 17 17 ALA HA H 1 4.60 0.00 . 1 . . . . A 411 ALA HA . 34048 1 174 . 1 1 17 17 ALA HB1 H 1 1.38 0.01 . 1 . . . . A 411 ALA HB1 . 34048 1 175 . 1 1 17 17 ALA HB2 H 1 1.38 0.01 . 1 . . . . A 411 ALA HB2 . 34048 1 176 . 1 1 17 17 ALA HB3 H 1 1.38 0.01 . 1 . . . . A 411 ALA HB3 . 34048 1 177 . 1 1 17 17 ALA CA C 13 49.24 0.02 . 1 . . . . A 411 ALA CA . 34048 1 178 . 1 1 17 17 ALA CB C 13 17.99 0.00 . 1 . . . . A 411 ALA CB . 34048 1 179 . 1 1 17 17 ALA N N 15 123.37 0.04 . 1 . . . . A 411 ALA N . 34048 1 180 . 1 1 18 18 PRO HA H 1 4.45 0.01 . 1 . . . . A 412 PRO HA . 34048 1 181 . 1 1 18 18 PRO HB2 H 1 2.13 0.01 . 1 . . . . A 412 PRO HB2 . 34048 1 182 . 1 1 18 18 PRO HB3 H 1 1.82 0.01 . 1 . . . . A 412 PRO HB3 . 34048 1 183 . 1 1 18 18 PRO HG2 H 1 2.01 0.02 . 1 . . . . A 412 PRO HG2 . 34048 1 184 . 1 1 18 18 PRO HG3 H 1 1.98 0.02 . 1 . . . . A 412 PRO HG3 . 34048 1 185 . 1 1 18 18 PRO HD2 H 1 3.66 0.01 . 1 . . . . A 412 PRO HD2 . 34048 1 186 . 1 1 18 18 PRO HD3 H 1 3.66 0.01 . 1 . . . . A 412 PRO HD3 . 34048 1 187 . 1 1 18 18 PRO CA C 13 62.92 0.02 . 1 . . . . A 412 PRO CA . 34048 1 188 . 1 1 18 18 PRO CB C 13 32.12 0.04 . 1 . . . . A 412 PRO CB . 34048 1 189 . 1 1 18 18 PRO CG C 13 27.39 0.03 . 1 . . . . A 412 PRO CG . 34048 1 190 . 1 1 18 18 PRO CD C 13 50.01 0.05 . 1 . . . . A 412 PRO CD . 34048 1 191 . 1 1 19 19 PHE H H 1 8.44 0.01 . 1 . . . . A 413 PHE H . 34048 1 192 . 1 1 19 19 PHE HA H 1 4.72 0.01 . 1 . . . . A 413 PHE HA . 34048 1 193 . 1 1 19 19 PHE HB2 H 1 2.93 0.01 . 1 . . . . A 413 PHE HB2 . 34048 1 194 . 1 1 19 19 PHE HB3 H 1 3.18 0.01 . 1 . . . . A 413 PHE HB3 . 34048 1 195 . 1 1 19 19 PHE HD1 H 1 7.10 0.01 . 3 . . . . A 413 PHE HD1 . 34048 1 196 . 1 1 19 19 PHE HD2 H 1 7.10 0.01 . 3 . . . . A 413 PHE HD2 . 34048 1 197 . 1 1 19 19 PHE HE1 H 1 6.87 0.01 . 3 . . . . A 413 PHE HE1 . 34048 1 198 . 1 1 19 19 PHE HE2 H 1 6.87 0.01 . 3 . . . . A 413 PHE HE2 . 34048 1 199 . 1 1 19 19 PHE HZ H 1 6.62 0.01 . 1 . . . . A 413 PHE HZ . 34048 1 200 . 1 1 19 19 PHE CA C 13 56.59 0.04 . 1 . . . . A 413 PHE CA . 34048 1 201 . 1 1 19 19 PHE CB C 13 40.67 0.02 . 1 . . . . A 413 PHE CB . 34048 1 202 . 1 1 19 19 PHE CD1 C 13 132.40 0.02 . 3 . . . . A 413 PHE CD1 . 34048 1 203 . 1 1 19 19 PHE CD2 C 13 132.40 0.02 . 3 . . . . A 413 PHE CD2 . 34048 1 204 . 1 1 19 19 PHE CE1 C 13 131.10 0.01 . 3 . . . . A 413 PHE CE1 . 34048 1 205 . 1 1 19 19 PHE CE2 C 13 131.10 0.01 . 3 . . . . A 413 PHE CE2 . 34048 1 206 . 1 1 19 19 PHE CZ C 13 129.67 0.06 . 1 . . . . A 413 PHE CZ . 34048 1 207 . 1 1 19 19 PHE N N 15 125.48 0.02 . 1 . . . . A 413 PHE N . 34048 1 208 . 1 1 20 20 GLN H H 1 8.34 0.01 . 1 . . . . A 414 GLN H . 34048 1 209 . 1 1 20 20 GLN HA H 1 3.76 0.00 . 1 . . . . A 414 GLN HA . 34048 1 210 . 1 1 20 20 GLN HB2 H 1 1.71 0.02 . 1 . . . . A 414 GLN HB2 . 34048 1 211 . 1 1 20 20 GLN HB3 H 1 1.61 0.01 . 1 . . . . A 414 GLN HB3 . 34048 1 212 . 1 1 20 20 GLN HG2 H 1 2.11 0.00 . 1 . . . . A 414 GLN HG2 . 34048 1 213 . 1 1 20 20 GLN HG3 H 1 2.11 0.00 . 1 . . . . A 414 GLN HG3 . 34048 1 214 . 1 1 20 20 GLN HE21 H 1 6.70 0.00 . 1 . . . . A 414 GLN HE21 . 34048 1 215 . 1 1 20 20 GLN HE22 H 1 7.41 0.02 . 1 . . . . A 414 GLN HE22 . 34048 1 216 . 1 1 20 20 GLN CA C 13 57.89 0.01 . 1 . . . . A 414 GLN CA . 34048 1 217 . 1 1 20 20 GLN CB C 13 28.45 0.02 . 1 . . . . A 414 GLN CB . 34048 1 218 . 1 1 20 20 GLN CG C 13 33.19 0.02 . 1 . . . . A 414 GLN CG . 34048 1 219 . 1 1 20 20 GLN N N 15 130.34 0.03 . 1 . . . . A 414 GLN N . 34048 1 220 . 1 1 20 20 GLN NE2 N 15 112.70 0.05 . 1 . . . . A 414 GLN NE2 . 34048 1 221 . 1 1 21 21 ASP H H 1 8.67 0.01 . 1 . . . . A 415 ASP H . 34048 1 222 . 1 1 21 21 ASP HA H 1 4.17 0.01 . 1 . . . . A 415 ASP HA . 34048 1 223 . 1 1 21 21 ASP HB2 H 1 2.82 0.01 . 1 . . . . A 415 ASP HB2 . 34048 1 224 . 1 1 21 21 ASP HB3 H 1 2.61 0.00 . 1 . . . . A 415 ASP HB3 . 34048 1 225 . 1 1 21 21 ASP CA C 13 55.76 0.01 . 1 . . . . A 415 ASP CA . 34048 1 226 . 1 1 21 21 ASP CB C 13 38.95 0.03 . 1 . . . . A 415 ASP CB . 34048 1 227 . 1 1 21 21 ASP N N 15 118.21 0.01 . 1 . . . . A 415 ASP N . 34048 1 228 . 1 1 22 22 THR H H 1 7.51 0.00 . 1 . . . . A 416 THR H . 34048 1 229 . 1 1 22 22 THR HA H 1 3.81 0.02 . 1 . . . . A 416 THR HA . 34048 1 230 . 1 1 22 22 THR HB H 1 3.76 0.02 . 1 . . . . A 416 THR HB . 34048 1 231 . 1 1 22 22 THR HG1 H 1 4.89 0.01 . 1 . . . . A 416 THR HG1 . 34048 1 232 . 1 1 22 22 THR HG21 H 1 0.19 0.00 . 1 . . . . A 416 THR HG21 . 34048 1 233 . 1 1 22 22 THR HG22 H 1 0.19 0.00 . 1 . . . . A 416 THR HG22 . 34048 1 234 . 1 1 22 22 THR HG23 H 1 0.19 0.00 . 1 . . . . A 416 THR HG23 . 34048 1 235 . 1 1 22 22 THR CA C 13 65.16 0.02 . 1 . . . . A 416 THR CA . 34048 1 236 . 1 1 22 22 THR CB C 13 69.48 0.02 . 1 . . . . A 416 THR CB . 34048 1 237 . 1 1 22 22 THR CG2 C 13 22.23 0.00 . 1 . . . . A 416 THR CG2 . 34048 1 238 . 1 1 22 22 THR N N 15 115.85 0.02 . 1 . . . . A 416 THR N . 34048 1 239 . 1 1 23 23 SER H H 1 8.95 0.01 . 1 . . . . A 417 SER H . 34048 1 240 . 1 1 23 23 SER HA H 1 4.44 0.01 . 1 . . . . A 417 SER HA . 34048 1 241 . 1 1 23 23 SER HB2 H 1 3.90 0.01 . 1 . . . . A 417 SER HB2 . 34048 1 242 . 1 1 23 23 SER HB3 H 1 3.90 0.01 . 1 . . . . A 417 SER HB3 . 34048 1 243 . 1 1 23 23 SER CA C 13 60.42 0.03 . 1 . . . . A 417 SER CA . 34048 1 244 . 1 1 23 23 SER CB C 13 63.35 0.05 . 1 . . . . A 417 SER CB . 34048 1 245 . 1 1 23 23 SER N N 15 122.20 0.02 . 1 . . . . A 417 SER N . 34048 1 246 . 1 1 24 24 GLU H H 1 7.28 0.00 . 1 . . . . A 418 GLU H . 34048 1 247 . 1 1 24 24 GLU HA H 1 4.54 0.01 . 1 . . . . A 418 GLU HA . 34048 1 248 . 1 1 24 24 GLU HB2 H 1 2.01 0.01 . 1 . . . . A 418 GLU HB2 . 34048 1 249 . 1 1 24 24 GLU HB3 H 1 1.84 0.01 . 1 . . . . A 418 GLU HB3 . 34048 1 250 . 1 1 24 24 GLU HG2 H 1 2.04 0.02 . 1 . . . . A 418 GLU HG2 . 34048 1 251 . 1 1 24 24 GLU HG3 H 1 2.01 0.02 . 1 . . . . A 418 GLU HG3 . 34048 1 252 . 1 1 24 24 GLU CA C 13 55.45 0.03 . 1 . . . . A 418 GLU CA . 34048 1 253 . 1 1 24 24 GLU CB C 13 34.63 0.03 . 1 . . . . A 418 GLU CB . 34048 1 254 . 1 1 24 24 GLU CG C 13 36.94 0.08 . 1 . . . . A 418 GLU CG . 34048 1 255 . 1 1 24 24 GLU N N 15 119.94 0.01 . 1 . . . . A 418 GLU N . 34048 1 256 . 1 1 25 25 TYR H H 1 8.95 0.01 . 1 . . . . A 419 TYR H . 34048 1 257 . 1 1 25 25 TYR HA H 1 5.25 0.01 . 1 . . . . A 419 TYR HA . 34048 1 258 . 1 1 25 25 TYR HB2 H 1 2.42 0.01 . 1 . . . . A 419 TYR HB2 . 34048 1 259 . 1 1 25 25 TYR HB3 H 1 2.06 0.01 . 1 . . . . A 419 TYR HB3 . 34048 1 260 . 1 1 25 25 TYR HD1 H 1 6.78 0.02 . 3 . . . . A 419 TYR HD1 . 34048 1 261 . 1 1 25 25 TYR HD2 H 1 6.78 0.02 . 3 . . . . A 419 TYR HD2 . 34048 1 262 . 1 1 25 25 TYR HE1 H 1 7.02 0.02 . 3 . . . . A 419 TYR HE1 . 34048 1 263 . 1 1 25 25 TYR HE2 H 1 7.02 0.02 . 3 . . . . A 419 TYR HE2 . 34048 1 264 . 1 1 25 25 TYR HH H 1 10.80 0.01 . 1 . . . . A 419 TYR HH . 34048 1 265 . 1 1 25 25 TYR CA C 13 56.85 0.03 . 1 . . . . A 419 TYR CA . 34048 1 266 . 1 1 25 25 TYR CB C 13 39.95 0.02 . 1 . . . . A 419 TYR CB . 34048 1 267 . 1 1 25 25 TYR CD1 C 13 131.08 0.00 . 3 . . . . A 419 TYR CD1 . 34048 1 268 . 1 1 25 25 TYR CD2 C 13 131.08 0.00 . 3 . . . . A 419 TYR CD2 . 34048 1 269 . 1 1 25 25 TYR CE1 C 13 119.59 0.00 . 3 . . . . A 419 TYR CE1 . 34048 1 270 . 1 1 25 25 TYR CE2 C 13 119.59 0.00 . 3 . . . . A 419 TYR CE2 . 34048 1 271 . 1 1 25 25 TYR N N 15 117.98 0.04 . 1 . . . . A 419 TYR N . 34048 1 272 . 1 1 26 26 ILE H H 1 9.12 0.01 . 1 . . . . A 420 ILE H . 34048 1 273 . 1 1 26 26 ILE HA H 1 4.59 0.01 . 1 . . . . A 420 ILE HA . 34048 1 274 . 1 1 26 26 ILE HB H 1 1.49 0.01 . 1 . . . . A 420 ILE HB . 34048 1 275 . 1 1 26 26 ILE HG12 H 1 1.27 0.01 . 1 . . . . A 420 ILE HG12 . 34048 1 276 . 1 1 26 26 ILE HG13 H 1 0.81 0.01 . 1 . . . . A 420 ILE HG13 . 34048 1 277 . 1 1 26 26 ILE HG21 H 1 0.66 0.01 . 1 . . . . A 420 ILE HG21 . 34048 1 278 . 1 1 26 26 ILE HG22 H 1 0.66 0.01 . 1 . . . . A 420 ILE HG22 . 34048 1 279 . 1 1 26 26 ILE HG23 H 1 0.66 0.01 . 1 . . . . A 420 ILE HG23 . 34048 1 280 . 1 1 26 26 ILE HD11 H 1 0.59 0.01 . 1 . . . . A 420 ILE HD11 . 34048 1 281 . 1 1 26 26 ILE HD12 H 1 0.59 0.01 . 1 . . . . A 420 ILE HD12 . 34048 1 282 . 1 1 26 26 ILE HD13 H 1 0.59 0.01 . 1 . . . . A 420 ILE HD13 . 34048 1 283 . 1 1 26 26 ILE CA C 13 59.85 0.02 . 1 . . . . A 420 ILE CA . 34048 1 284 . 1 1 26 26 ILE CB C 13 40.08 0.02 . 1 . . . . A 420 ILE CB . 34048 1 285 . 1 1 26 26 ILE CG1 C 13 27.49 0.07 . 1 . . . . A 420 ILE CG1 . 34048 1 286 . 1 1 26 26 ILE CG2 C 13 17.72 0.00 . 1 . . . . A 420 ILE CG2 . 34048 1 287 . 1 1 26 26 ILE CD1 C 13 13.64 0.00 . 1 . . . . A 420 ILE CD1 . 34048 1 288 . 1 1 26 26 ILE N N 15 120.47 0.03 . 1 . . . . A 420 ILE N . 34048 1 289 . 1 1 27 27 ILE H H 1 9.42 0.01 . 1 . . . . A 421 ILE H . 34048 1 290 . 1 1 27 27 ILE HA H 1 4.88 0.01 . 1 . . . . A 421 ILE HA . 34048 1 291 . 1 1 27 27 ILE HB H 1 1.56 0.01 . 1 . . . . A 421 ILE HB . 34048 1 292 . 1 1 27 27 ILE HG12 H 1 1.04 0.01 . 1 . . . . A 421 ILE HG12 . 34048 1 293 . 1 1 27 27 ILE HG13 H 1 0.61 0.02 . 1 . . . . A 421 ILE HG13 . 34048 1 294 . 1 1 27 27 ILE HG21 H 1 0.57 0.01 . 1 . . . . A 421 ILE HG21 . 34048 1 295 . 1 1 27 27 ILE HG22 H 1 0.57 0.01 . 1 . . . . A 421 ILE HG22 . 34048 1 296 . 1 1 27 27 ILE HG23 H 1 0.57 0.01 . 1 . . . . A 421 ILE HG23 . 34048 1 297 . 1 1 27 27 ILE HD11 H 1 0.49 0.01 . 1 . . . . A 421 ILE HD11 . 34048 1 298 . 1 1 27 27 ILE HD12 H 1 0.49 0.01 . 1 . . . . A 421 ILE HD12 . 34048 1 299 . 1 1 27 27 ILE HD13 H 1 0.49 0.01 . 1 . . . . A 421 ILE HD13 . 34048 1 300 . 1 1 27 27 ILE CA C 13 60.11 0.03 . 1 . . . . A 421 ILE CA . 34048 1 301 . 1 1 27 27 ILE CB C 13 39.51 0.04 . 1 . . . . A 421 ILE CB . 34048 1 302 . 1 1 27 27 ILE CG1 C 13 28.86 0.02 . 1 . . . . A 421 ILE CG1 . 34048 1 303 . 1 1 27 27 ILE CG2 C 13 19.45 0.00 . 1 . . . . A 421 ILE CG2 . 34048 1 304 . 1 1 27 27 ILE CD1 C 13 15.74 0.00 . 1 . . . . A 421 ILE CD1 . 34048 1 305 . 1 1 27 27 ILE N N 15 130.99 0.03 . 1 . . . . A 421 ILE N . 34048 1 306 . 1 1 28 28 SER H H 1 9.29 0.01 . 1 . . . . A 422 SER H . 34048 1 307 . 1 1 28 28 SER HA H 1 5.27 0.01 . 1 . . . . A 422 SER HA . 34048 1 308 . 1 1 28 28 SER HB2 H 1 3.69 0.01 . 1 . . . . A 422 SER HB2 . 34048 1 309 . 1 1 28 28 SER HB3 H 1 3.51 0.01 . 1 . . . . A 422 SER HB3 . 34048 1 310 . 1 1 28 28 SER HG H 1 5.42 0.02 . 1 . . . . A 422 SER HG . 34048 1 311 . 1 1 28 28 SER CA C 13 57.29 0.08 . 1 . . . . A 422 SER CA . 34048 1 312 . 1 1 28 28 SER CB C 13 64.77 0.05 . 1 . . . . A 422 SER CB . 34048 1 313 . 1 1 28 28 SER N N 15 122.42 0.03 . 1 . . . . A 422 SER N . 34048 1 314 . 1 1 29 29 CYS H H 1 9.05 0.01 . 1 . . . . A 423 CYS H . 34048 1 315 . 1 1 29 29 CYS HA H 1 5.02 0.00 . 1 . . . . A 423 CYS HA . 34048 1 316 . 1 1 29 29 CYS HB2 H 1 2.77 0.01 . 1 . . . . A 423 CYS HB2 . 34048 1 317 . 1 1 29 29 CYS HB3 H 1 2.34 0.00 . 1 . . . . A 423 CYS HB3 . 34048 1 318 . 1 1 29 29 CYS CA C 13 56.44 0.02 . 1 . . . . A 423 CYS CA . 34048 1 319 . 1 1 29 29 CYS CB C 13 28.78 0.03 . 1 . . . . A 423 CYS CB . 34048 1 320 . 1 1 29 29 CYS N N 15 122.65 0.03 . 1 . . . . A 423 CYS N . 34048 1 321 . 1 1 30 30 HIS H H 1 9.33 0.01 . 1 . . . . A 424 HIS H . 34048 1 322 . 1 1 30 30 HIS HA H 1 5.02 0.01 . 1 . . . . A 424 HIS HA . 34048 1 323 . 1 1 30 30 HIS HB2 H 1 3.29 0.01 . 1 . . . . A 424 HIS HB2 . 34048 1 324 . 1 1 30 30 HIS HB3 H 1 3.10 0.01 . 1 . . . . A 424 HIS HB3 . 34048 1 325 . 1 1 30 30 HIS HD2 H 1 6.86 0.00 . 1 . . . . A 424 HIS HD2 . 34048 1 326 . 1 1 30 30 HIS CA C 13 53.31 0.02 . 1 . . . . A 424 HIS CA . 34048 1 327 . 1 1 30 30 HIS CB C 13 31.34 0.02 . 1 . . . . A 424 HIS CB . 34048 1 328 . 1 1 30 30 HIS N N 15 125.94 0.03 . 1 . . . . A 424 HIS N . 34048 1 329 . 1 1 31 31 PRO HA H 1 4.13 0.01 . 1 . . . . A 425 PRO HA . 34048 1 330 . 1 1 31 31 PRO HB2 H 1 1.83 0.02 . 1 . . . . A 425 PRO HB2 . 34048 1 331 . 1 1 31 31 PRO HB3 H 1 1.82 0.02 . 1 . . . . A 425 PRO HB3 . 34048 1 332 . 1 1 31 31 PRO HG2 H 1 2.02 0.01 . 1 . . . . A 425 PRO HG2 . 34048 1 333 . 1 1 31 31 PRO HG3 H 1 1.83 0.01 . 1 . . . . A 425 PRO HG3 . 34048 1 334 . 1 1 31 31 PRO HD2 H 1 4.02 0.01 . 1 . . . . A 425 PRO HD2 . 34048 1 335 . 1 1 31 31 PRO HD3 H 1 3.72 0.01 . 1 . . . . A 425 PRO HD3 . 34048 1 336 . 1 1 31 31 PRO CA C 13 62.97 0.02 . 1 . . . . A 425 PRO CA . 34048 1 337 . 1 1 31 31 PRO CB C 13 31.76 0.03 . 1 . . . . A 425 PRO CB . 34048 1 338 . 1 1 31 31 PRO CG C 13 27.51 0.06 . 1 . . . . A 425 PRO CG . 34048 1 339 . 1 1 31 31 PRO CD C 13 51.14 0.02 . 1 . . . . A 425 PRO CD . 34048 1 340 . 1 1 32 32 VAL H H 1 8.10 0.01 . 1 . . . . A 426 VAL H . 34048 1 341 . 1 1 32 32 VAL HA H 1 3.93 0.01 . 1 . . . . A 426 VAL HA . 34048 1 342 . 1 1 32 32 VAL HB H 1 1.66 0.01 . 1 . . . . A 426 VAL HB . 34048 1 343 . 1 1 32 32 VAL HG11 H 1 0.77 0.01 . 2 . . . . A 426 VAL HG11 . 34048 1 344 . 1 1 32 32 VAL HG12 H 1 0.77 0.01 . 2 . . . . A 426 VAL HG12 . 34048 1 345 . 1 1 32 32 VAL HG13 H 1 0.77 0.01 . 2 . . . . A 426 VAL HG13 . 34048 1 346 . 1 1 32 32 VAL HG21 H 1 0.78 0.01 . 2 . . . . A 426 VAL HG21 . 34048 1 347 . 1 1 32 32 VAL HG22 H 1 0.78 0.01 . 2 . . . . A 426 VAL HG22 . 34048 1 348 . 1 1 32 32 VAL HG23 H 1 0.78 0.01 . 2 . . . . A 426 VAL HG23 . 34048 1 349 . 1 1 32 32 VAL CA C 13 62.98 0.01 . 1 . . . . A 426 VAL CA . 34048 1 350 . 1 1 32 32 VAL CB C 13 32.08 0.03 . 1 . . . . A 426 VAL CB . 34048 1 351 . 1 1 32 32 VAL CG1 C 13 20.96 0.02 . 1 . . . . A 426 VAL CG1 . 34048 1 352 . 1 1 32 32 VAL CG2 C 13 21.34 0.00 . 1 . . . . A 426 VAL CG2 . 34048 1 353 . 1 1 32 32 VAL N N 15 124.12 0.01 . 1 . . . . A 426 VAL N . 34048 1 354 . 1 1 33 33 GLY H H 1 8.81 0.01 . 1 . . . . A 427 GLY H . 34048 1 355 . 1 1 33 33 GLY HA2 H 1 4.02 0.01 . 1 . . . . A 427 GLY HA2 . 34048 1 356 . 1 1 33 33 GLY HA3 H 1 3.75 0.00 . 1 . . . . A 427 GLY HA3 . 34048 1 357 . 1 1 33 33 GLY CA C 13 45.45 0.03 . 1 . . . . A 427 GLY CA . 34048 1 358 . 1 1 33 33 GLY N N 15 113.89 0.03 . 1 . . . . A 427 GLY N . 34048 1 359 . 1 1 34 34 THR H H 1 7.22 0.00 . 1 . . . . A 428 THR H . 34048 1 360 . 1 1 34 34 THR HA H 1 4.60 0.01 . 1 . . . . A 428 THR HA . 34048 1 361 . 1 1 34 34 THR HB H 1 4.24 0.01 . 1 . . . . A 428 THR HB . 34048 1 362 . 1 1 34 34 THR HG21 H 1 1.02 0.00 . 1 . . . . A 428 THR HG21 . 34048 1 363 . 1 1 34 34 THR HG22 H 1 1.02 0.00 . 1 . . . . A 428 THR HG22 . 34048 1 364 . 1 1 34 34 THR HG23 H 1 1.02 0.00 . 1 . . . . A 428 THR HG23 . 34048 1 365 . 1 1 34 34 THR CA C 13 60.12 0.05 . 1 . . . . A 428 THR CA . 34048 1 366 . 1 1 34 34 THR CB C 13 70.94 0.05 . 1 . . . . A 428 THR CB . 34048 1 367 . 1 1 34 34 THR CG2 C 13 21.23 0.00 . 1 . . . . A 428 THR CG2 . 34048 1 368 . 1 1 34 34 THR N N 15 109.25 0.00 . 1 . . . . A 428 THR N . 34048 1 369 . 1 1 35 35 ASP H H 1 8.40 0.01 . 1 . . . . A 429 ASP H . 34048 1 370 . 1 1 35 35 ASP HA H 1 4.71 0.01 . 1 . . . . A 429 ASP HA . 34048 1 371 . 1 1 35 35 ASP HB2 H 1 2.69 0.00 . 1 . . . . A 429 ASP HB2 . 34048 1 372 . 1 1 35 35 ASP HB3 H 1 2.57 0.01 . 1 . . . . A 429 ASP HB3 . 34048 1 373 . 1 1 35 35 ASP CA C 13 53.60 0.03 . 1 . . . . A 429 ASP CA . 34048 1 374 . 1 1 35 35 ASP CB C 13 40.41 0.03 . 1 . . . . A 429 ASP CB . 34048 1 375 . 1 1 35 35 ASP N N 15 120.19 0.01 . 1 . . . . A 429 ASP N . 34048 1 376 . 1 1 36 36 GLU H H 1 7.42 0.01 . 1 . . . . A 430 GLU H . 34048 1 377 . 1 1 36 36 GLU HA H 1 4.18 0.01 . 1 . . . . A 430 GLU HA . 34048 1 378 . 1 1 36 36 GLU HB2 H 1 2.02 0.00 . 1 . . . . A 430 GLU HB2 . 34048 1 379 . 1 1 36 36 GLU HB3 H 1 1.70 0.01 . 1 . . . . A 430 GLU HB3 . 34048 1 380 . 1 1 36 36 GLU HG2 H 1 2.22 0.01 . 1 . . . . A 430 GLU HG2 . 34048 1 381 . 1 1 36 36 GLU HG3 H 1 2.21 0.01 . 1 . . . . A 430 GLU HG3 . 34048 1 382 . 1 1 36 36 GLU CA C 13 56.11 0.03 . 1 . . . . A 430 GLU CA . 34048 1 383 . 1 1 36 36 GLU CB C 13 31.36 0.01 . 1 . . . . A 430 GLU CB . 34048 1 384 . 1 1 36 36 GLU CG C 13 36.41 0.04 . 1 . . . . A 430 GLU CG . 34048 1 385 . 1 1 36 36 GLU N N 15 119.74 0.01 . 1 . . . . A 430 GLU N . 34048 1 386 . 1 1 37 37 GLU H H 1 8.41 0.01 . 1 . . . . A 431 GLU H . 34048 1 387 . 1 1 37 37 GLU HA H 1 4.39 0.00 . 1 . . . . A 431 GLU HA . 34048 1 388 . 1 1 37 37 GLU HB2 H 1 1.95 0.00 . 1 . . . . A 431 GLU HB2 . 34048 1 389 . 1 1 37 37 GLU HB3 H 1 1.84 0.01 . 1 . . . . A 431 GLU HB3 . 34048 1 390 . 1 1 37 37 GLU HG2 H 1 2.29 0.00 . 1 . . . . A 431 GLU HG2 . 34048 1 391 . 1 1 37 37 GLU HG3 H 1 2.29 0.00 . 1 . . . . A 431 GLU HG3 . 34048 1 392 . 1 1 37 37 GLU CA C 13 54.65 0.02 . 1 . . . . A 431 GLU CA . 34048 1 393 . 1 1 37 37 GLU CB C 13 29.60 0.04 . 1 . . . . A 431 GLU CB . 34048 1 394 . 1 1 37 37 GLU CG C 13 36.00 0.02 . 1 . . . . A 431 GLU CG . 34048 1 395 . 1 1 37 37 GLU N N 15 122.50 0.04 . 1 . . . . A 431 GLU N . 34048 1 396 . 1 1 38 38 PRO HA H 1 4.57 0.01 . 1 . . . . A 432 PRO HA . 34048 1 397 . 1 1 38 38 PRO HB2 H 1 1.64 0.01 . 1 . . . . A 432 PRO HB2 . 34048 1 398 . 1 1 38 38 PRO HB3 H 1 1.50 0.01 . 1 . . . . A 432 PRO HB3 . 34048 1 399 . 1 1 38 38 PRO HG2 H 1 1.87 0.03 . 1 . . . . A 432 PRO HG2 . 34048 1 400 . 1 1 38 38 PRO HG3 H 1 1.83 0.02 . 1 . . . . A 432 PRO HG3 . 34048 1 401 . 1 1 38 38 PRO HD2 H 1 3.77 0.01 . 1 . . . . A 432 PRO HD2 . 34048 1 402 . 1 1 38 38 PRO HD3 H 1 3.63 0.01 . 1 . . . . A 432 PRO HD3 . 34048 1 403 . 1 1 38 38 PRO CA C 13 62.60 0.03 . 1 . . . . A 432 PRO CA . 34048 1 404 . 1 1 38 38 PRO CB C 13 32.08 0.02 . 1 . . . . A 432 PRO CB . 34048 1 405 . 1 1 38 38 PRO CG C 13 27.44 0.03 . 1 . . . . A 432 PRO CG . 34048 1 406 . 1 1 38 38 PRO CD C 13 50.39 0.01 . 1 . . . . A 432 PRO CD . 34048 1 407 . 1 1 39 39 LEU H H 1 7.93 0.01 . 1 . . . . A 433 LEU H . 34048 1 408 . 1 1 39 39 LEU HA H 1 4.48 0.01 . 1 . . . . A 433 LEU HA . 34048 1 409 . 1 1 39 39 LEU HB2 H 1 1.38 0.02 . 1 . . . . A 433 LEU HB2 . 34048 1 410 . 1 1 39 39 LEU HB3 H 1 1.34 0.01 . 1 . . . . A 433 LEU HB3 . 34048 1 411 . 1 1 39 39 LEU HG H 1 1.65 0.00 . 1 . . . . A 433 LEU HG . 34048 1 412 . 1 1 39 39 LEU HD11 H 1 0.81 0.02 . 2 . . . . A 433 LEU HD11 . 34048 1 413 . 1 1 39 39 LEU HD12 H 1 0.81 0.02 . 2 . . . . A 433 LEU HD12 . 34048 1 414 . 1 1 39 39 LEU HD13 H 1 0.81 0.02 . 2 . . . . A 433 LEU HD13 . 34048 1 415 . 1 1 39 39 LEU HD21 H 1 0.87 0.02 . 2 . . . . A 433 LEU HD21 . 34048 1 416 . 1 1 39 39 LEU HD22 H 1 0.87 0.02 . 2 . . . . A 433 LEU HD22 . 34048 1 417 . 1 1 39 39 LEU HD23 H 1 0.87 0.02 . 2 . . . . A 433 LEU HD23 . 34048 1 418 . 1 1 39 39 LEU CA C 13 54.40 0.10 . 1 . . . . A 433 LEU CA . 34048 1 419 . 1 1 39 39 LEU CB C 13 44.99 0.02 . 1 . . . . A 433 LEU CB . 34048 1 420 . 1 1 39 39 LEU CG C 13 27.42 0.03 . 1 . . . . A 433 LEU CG . 34048 1 421 . 1 1 39 39 LEU CD1 C 13 24.29 0.01 . 1 . . . . A 433 LEU CD1 . 34048 1 422 . 1 1 39 39 LEU CD2 C 13 25.48 0.00 . 1 . . . . A 433 LEU CD2 . 34048 1 423 . 1 1 39 39 LEU N N 15 121.53 0.03 . 1 . . . . A 433 LEU N . 34048 1 424 . 1 1 40 40 GLN H H 1 8.22 0.01 . 1 . . . . A 434 GLN H . 34048 1 425 . 1 1 40 40 GLN HA H 1 5.44 0.01 . 1 . . . . A 434 GLN HA . 34048 1 426 . 1 1 40 40 GLN HB2 H 1 1.71 0.01 . 1 . . . . A 434 GLN HB2 . 34048 1 427 . 1 1 40 40 GLN HB3 H 1 1.71 0.01 . 1 . . . . A 434 GLN HB3 . 34048 1 428 . 1 1 40 40 GLN HG2 H 1 2.10 0.01 . 1 . . . . A 434 GLN HG2 . 34048 1 429 . 1 1 40 40 GLN HG3 H 1 1.95 0.01 . 1 . . . . A 434 GLN HG3 . 34048 1 430 . 1 1 40 40 GLN HE21 H 1 6.76 0.01 . 1 . . . . A 434 GLN HE21 . 34048 1 431 . 1 1 40 40 GLN HE22 H 1 7.45 0.01 . 1 . . . . A 434 GLN HE22 . 34048 1 432 . 1 1 40 40 GLN CA C 13 54.64 0.06 . 1 . . . . A 434 GLN CA . 34048 1 433 . 1 1 40 40 GLN CB C 13 33.24 0.09 . 1 . . . . A 434 GLN CB . 34048 1 434 . 1 1 40 40 GLN CG C 13 35.03 0.08 . 1 . . . . A 434 GLN CG . 34048 1 435 . 1 1 40 40 GLN N N 15 121.28 0.01 . 1 . . . . A 434 GLN N . 34048 1 436 . 1 1 40 40 GLN NE2 N 15 112.30 0.12 . 1 . . . . A 434 GLN NE2 . 34048 1 437 . 1 1 41 41 PHE H H 1 9.16 0.01 . 1 . . . . A 435 PHE H . 34048 1 438 . 1 1 41 41 PHE HA H 1 4.74 0.01 . 1 . . . . A 435 PHE HA . 34048 1 439 . 1 1 41 41 PHE HB2 H 1 3.08 0.00 . 1 . . . . A 435 PHE HB2 . 34048 1 440 . 1 1 41 41 PHE HB3 H 1 2.61 0.01 . 1 . . . . A 435 PHE HB3 . 34048 1 441 . 1 1 41 41 PHE HD1 H 1 7.06 0.01 . 3 . . . . A 435 PHE HD1 . 34048 1 442 . 1 1 41 41 PHE HD2 H 1 7.06 0.01 . 3 . . . . A 435 PHE HD2 . 34048 1 443 . 1 1 41 41 PHE HE1 H 1 7.20 0.01 . 3 . . . . A 435 PHE HE1 . 34048 1 444 . 1 1 41 41 PHE HE2 H 1 7.20 0.01 . 3 . . . . A 435 PHE HE2 . 34048 1 445 . 1 1 41 41 PHE HZ H 1 7.21 0.00 . 1 . . . . A 435 PHE HZ . 34048 1 446 . 1 1 41 41 PHE CA C 13 56.19 0.04 . 1 . . . . A 435 PHE CA . 34048 1 447 . 1 1 41 41 PHE CB C 13 42.15 0.03 . 1 . . . . A 435 PHE CB . 34048 1 448 . 1 1 41 41 PHE CD1 C 13 133.04 0.04 . 3 . . . . A 435 PHE CD1 . 34048 1 449 . 1 1 41 41 PHE CD2 C 13 133.04 0.04 . 3 . . . . A 435 PHE CD2 . 34048 1 450 . 1 1 41 41 PHE CE1 C 13 131.34 0.14 . 3 . . . . A 435 PHE CE1 . 34048 1 451 . 1 1 41 41 PHE CE2 C 13 131.34 0.14 . 3 . . . . A 435 PHE CE2 . 34048 1 452 . 1 1 41 41 PHE CZ C 13 130.18 0.01 . 1 . . . . A 435 PHE CZ . 34048 1 453 . 1 1 41 41 PHE N N 15 122.51 0.02 . 1 . . . . A 435 PHE N . 34048 1 454 . 1 1 42 42 ARG H H 1 8.64 0.01 . 1 . . . . A 436 ARG H . 34048 1 455 . 1 1 42 42 ARG HA H 1 5.41 0.01 . 1 . . . . A 436 ARG HA . 34048 1 456 . 1 1 42 42 ARG HB2 H 1 1.73 0.01 . 1 . . . . A 436 ARG HB2 . 34048 1 457 . 1 1 42 42 ARG HB3 H 1 1.59 0.01 . 1 . . . . A 436 ARG HB3 . 34048 1 458 . 1 1 42 42 ARG HG2 H 1 1.53 0.02 . 1 . . . . A 436 ARG HG2 . 34048 1 459 . 1 1 42 42 ARG HG3 H 1 1.35 0.01 . 1 . . . . A 436 ARG HG3 . 34048 1 460 . 1 1 42 42 ARG HD2 H 1 3.03 0.02 . 1 . . . . A 436 ARG HD2 . 34048 1 461 . 1 1 42 42 ARG HD3 H 1 3.00 0.02 . 1 . . . . A 436 ARG HD3 . 34048 1 462 . 1 1 42 42 ARG CA C 13 55.00 0.03 . 1 . . . . A 436 ARG CA . 34048 1 463 . 1 1 42 42 ARG CB C 13 33.09 0.04 . 1 . . . . A 436 ARG CB . 34048 1 464 . 1 1 42 42 ARG CG C 13 27.73 0.02 . 1 . . . . A 436 ARG CG . 34048 1 465 . 1 1 42 42 ARG CD C 13 43.59 0.04 . 1 . . . . A 436 ARG CD . 34048 1 466 . 1 1 42 42 ARG N N 15 121.09 0.05 . 1 . . . . A 436 ARG N . 34048 1 467 . 1 1 43 43 VAL H H 1 8.95 0.01 . 1 . . . . A 437 VAL H . 34048 1 468 . 1 1 43 43 VAL HA H 1 5.02 0.01 . 1 . . . . A 437 VAL HA . 34048 1 469 . 1 1 43 43 VAL HB H 1 2.47 0.01 . 1 . . . . A 437 VAL HB . 34048 1 470 . 1 1 43 43 VAL HG11 H 1 1.08 0.01 . 2 . . . . A 437 VAL HG11 . 34048 1 471 . 1 1 43 43 VAL HG12 H 1 1.08 0.01 . 2 . . . . A 437 VAL HG12 . 34048 1 472 . 1 1 43 43 VAL HG13 H 1 1.08 0.01 . 2 . . . . A 437 VAL HG13 . 34048 1 473 . 1 1 43 43 VAL HG21 H 1 1.09 0.01 . 2 . . . . A 437 VAL HG21 . 34048 1 474 . 1 1 43 43 VAL HG22 H 1 1.09 0.01 . 2 . . . . A 437 VAL HG22 . 34048 1 475 . 1 1 43 43 VAL HG23 H 1 1.09 0.01 . 2 . . . . A 437 VAL HG23 . 34048 1 476 . 1 1 43 43 VAL CA C 13 58.25 0.02 . 1 . . . . A 437 VAL CA . 34048 1 477 . 1 1 43 43 VAL CB C 13 33.88 0.01 . 1 . . . . A 437 VAL CB . 34048 1 478 . 1 1 43 43 VAL CG1 C 13 20.64 0.00 . 1 . . . . A 437 VAL CG1 . 34048 1 479 . 1 1 43 43 VAL CG2 C 13 21.92 0.00 . 1 . . . . A 437 VAL CG2 . 34048 1 480 . 1 1 43 43 VAL N N 15 117.76 0.07 . 1 . . . . A 437 VAL N . 34048 1 481 . 1 1 44 44 PRO HA H 1 4.68 0.01 . 1 . . . . A 438 PRO HA . 34048 1 482 . 1 1 44 44 PRO HB2 H 1 2.60 0.01 . 1 . . . . A 438 PRO HB2 . 34048 1 483 . 1 1 44 44 PRO HB3 H 1 2.05 0.01 . 1 . . . . A 438 PRO HB3 . 34048 1 484 . 1 1 44 44 PRO HG2 H 1 2.09 0.03 . 1 . . . . A 438 PRO HG2 . 34048 1 485 . 1 1 44 44 PRO HG3 H 1 2.06 0.01 . 1 . . . . A 438 PRO HG3 . 34048 1 486 . 1 1 44 44 PRO HD2 H 1 3.91 0.00 . 1 . . . . A 438 PRO HD2 . 34048 1 487 . 1 1 44 44 PRO HD3 H 1 3.78 0.01 . 1 . . . . A 438 PRO HD3 . 34048 1 488 . 1 1 44 44 PRO CA C 13 63.22 0.08 . 1 . . . . A 438 PRO CA . 34048 1 489 . 1 1 44 44 PRO CB C 13 33.34 0.06 . 1 . . . . A 438 PRO CB . 34048 1 490 . 1 1 44 44 PRO CG C 13 27.76 0.01 . 1 . . . . A 438 PRO CG . 34048 1 491 . 1 1 44 44 PRO CD C 13 51.09 0.03 . 1 . . . . A 438 PRO CD . 34048 1 492 . 1 1 45 45 GLY H H 1 7.98 0.01 . 1 . . . . A 439 GLY H . 34048 1 493 . 1 1 45 45 GLY HA2 H 1 3.86 0.01 . 1 . . . . A 439 GLY HA2 . 34048 1 494 . 1 1 45 45 GLY HA3 H 1 3.71 0.01 . 1 . . . . A 439 GLY HA3 . 34048 1 495 . 1 1 45 45 GLY CA C 13 46.41 0.03 . 1 . . . . A 439 GLY CA . 34048 1 496 . 1 1 45 45 GLY N N 15 107.30 0.01 . 1 . . . . A 439 GLY N . 34048 1 497 . 1 1 46 46 THR H H 1 7.14 0.00 . 1 . . . . A 440 THR H . 34048 1 498 . 1 1 46 46 THR HA H 1 4.39 0.02 . 1 . . . . A 440 THR HA . 34048 1 499 . 1 1 46 46 THR HB H 1 4.50 0.00 . 1 . . . . A 440 THR HB . 34048 1 500 . 1 1 46 46 THR HG1 H 1 4.92 0.00 . 1 . . . . A 440 THR HG1 . 34048 1 501 . 1 1 46 46 THR HG21 H 1 1.27 0.00 . 1 . . . . A 440 THR HG21 . 34048 1 502 . 1 1 46 46 THR HG22 H 1 1.27 0.00 . 1 . . . . A 440 THR HG22 . 34048 1 503 . 1 1 46 46 THR HG23 H 1 1.27 0.00 . 1 . . . . A 440 THR HG23 . 34048 1 504 . 1 1 46 46 THR CA C 13 61.25 0.03 . 1 . . . . A 440 THR CA . 34048 1 505 . 1 1 46 46 THR CB C 13 69.13 0.04 . 1 . . . . A 440 THR CB . 34048 1 506 . 1 1 46 46 THR CG2 C 13 22.16 0.00 . 1 . . . . A 440 THR CG2 . 34048 1 507 . 1 1 46 46 THR N N 15 106.13 0.03 . 1 . . . . A 440 THR N . 34048 1 508 . 1 1 47 47 SER H H 1 8.25 0.01 . 1 . . . . A 441 SER H . 34048 1 509 . 1 1 47 47 SER HA H 1 4.59 0.01 . 1 . . . . A 441 SER HA . 34048 1 510 . 1 1 47 47 SER HB2 H 1 4.14 0.01 . 1 . . . . A 441 SER HB2 . 34048 1 511 . 1 1 47 47 SER HB3 H 1 4.07 0.01 . 1 . . . . A 441 SER HB3 . 34048 1 512 . 1 1 47 47 SER CA C 13 59.58 0.03 . 1 . . . . A 441 SER CA . 34048 1 513 . 1 1 47 47 SER CB C 13 65.17 0.02 . 1 . . . . A 441 SER CB . 34048 1 514 . 1 1 47 47 SER N N 15 120.10 0.03 . 1 . . . . A 441 SER N . 34048 1 515 . 1 1 48 48 THR H H 1 8.07 0.01 . 1 . . . . A 442 THR H . 34048 1 516 . 1 1 48 48 THR HA H 1 3.07 0.00 . 1 . . . . A 442 THR HA . 34048 1 517 . 1 1 48 48 THR HB H 1 4.20 0.01 . 1 . . . . A 442 THR HB . 34048 1 518 . 1 1 48 48 THR HG21 H 1 0.77 0.01 . 1 . . . . A 442 THR HG21 . 34048 1 519 . 1 1 48 48 THR HG22 H 1 0.77 0.01 . 1 . . . . A 442 THR HG22 . 34048 1 520 . 1 1 48 48 THR HG23 H 1 0.77 0.01 . 1 . . . . A 442 THR HG23 . 34048 1 521 . 1 1 48 48 THR CA C 13 59.41 0.03 . 1 . . . . A 442 THR CA . 34048 1 522 . 1 1 48 48 THR CB C 13 68.63 0.04 . 1 . . . . A 442 THR CB . 34048 1 523 . 1 1 48 48 THR CG2 C 13 21.77 0.00 . 1 . . . . A 442 THR CG2 . 34048 1 524 . 1 1 48 48 THR N N 15 109.10 0.03 . 1 . . . . A 442 THR N . 34048 1 525 . 1 1 49 49 SER H H 1 6.63 0.01 . 1 . . . . A 443 SER H . 34048 1 526 . 1 1 49 49 SER HA H 1 4.25 0.01 . 1 . . . . A 443 SER HA . 34048 1 527 . 1 1 49 49 SER HB2 H 1 3.33 0.01 . 1 . . . . A 443 SER HB2 . 34048 1 528 . 1 1 49 49 SER HB3 H 1 3.33 0.01 . 1 . . . . A 443 SER HB3 . 34048 1 529 . 1 1 49 49 SER CA C 13 56.67 0.04 . 1 . . . . A 443 SER CA . 34048 1 530 . 1 1 49 49 SER CB C 13 65.63 0.05 . 1 . . . . A 443 SER CB . 34048 1 531 . 1 1 49 49 SER N N 15 111.69 0.02 . 1 . . . . A 443 SER N . 34048 1 532 . 1 1 50 50 ALA H H 1 8.63 0.01 . 1 . . . . A 444 ALA H . 34048 1 533 . 1 1 50 50 ALA HA H 1 4.56 0.01 . 1 . . . . A 444 ALA HA . 34048 1 534 . 1 1 50 50 ALA HB1 H 1 1.31 0.01 . 1 . . . . A 444 ALA HB1 . 34048 1 535 . 1 1 50 50 ALA HB2 H 1 1.31 0.01 . 1 . . . . A 444 ALA HB2 . 34048 1 536 . 1 1 50 50 ALA HB3 H 1 1.31 0.01 . 1 . . . . A 444 ALA HB3 . 34048 1 537 . 1 1 50 50 ALA CA C 13 51.70 0.09 . 1 . . . . A 444 ALA CA . 34048 1 538 . 1 1 50 50 ALA CB C 13 22.64 0.00 . 1 . . . . A 444 ALA CB . 34048 1 539 . 1 1 50 50 ALA N N 15 120.92 0.09 . 1 . . . . A 444 ALA N . 34048 1 540 . 1 1 51 51 THR H H 1 8.55 0.01 . 1 . . . . A 445 THR H . 34048 1 541 . 1 1 51 51 THR HA H 1 4.59 0.02 . 1 . . . . A 445 THR HA . 34048 1 542 . 1 1 51 51 THR HB H 1 3.74 0.01 . 1 . . . . A 445 THR HB . 34048 1 543 . 1 1 51 51 THR HG21 H 1 0.86 0.01 . 1 . . . . A 445 THR HG21 . 34048 1 544 . 1 1 51 51 THR HG22 H 1 0.86 0.01 . 1 . . . . A 445 THR HG22 . 34048 1 545 . 1 1 51 51 THR HG23 H 1 0.86 0.01 . 1 . . . . A 445 THR HG23 . 34048 1 546 . 1 1 51 51 THR CA C 13 62.10 0.06 . 1 . . . . A 445 THR CA . 34048 1 547 . 1 1 51 51 THR CB C 13 69.51 0.04 . 1 . . . . A 445 THR CB . 34048 1 548 . 1 1 51 51 THR CG2 C 13 21.70 0.00 . 1 . . . . A 445 THR CG2 . 34048 1 549 . 1 1 51 51 THR N N 15 118.06 0.02 . 1 . . . . A 445 THR N . 34048 1 550 . 1 1 52 52 LEU H H 1 9.03 0.01 . 1 . . . . A 446 LEU H . 34048 1 551 . 1 1 52 52 LEU HA H 1 3.83 0.01 . 1 . . . . A 446 LEU HA . 34048 1 552 . 1 1 52 52 LEU HB2 H 1 1.38 0.01 . 1 . . . . A 446 LEU HB2 . 34048 1 553 . 1 1 52 52 LEU HB3 H 1 0.67 0.00 . 1 . . . . A 446 LEU HB3 . 34048 1 554 . 1 1 52 52 LEU HG H 1 1.29 0.01 . 1 . . . . A 446 LEU HG . 34048 1 555 . 1 1 52 52 LEU HD11 H 1 0.06 0.01 . 2 . . . . A 446 LEU HD11 . 34048 1 556 . 1 1 52 52 LEU HD12 H 1 0.06 0.01 . 2 . . . . A 446 LEU HD12 . 34048 1 557 . 1 1 52 52 LEU HD13 H 1 0.06 0.01 . 2 . . . . A 446 LEU HD13 . 34048 1 558 . 1 1 52 52 LEU HD21 H 1 0.45 0.01 . 2 . . . . A 446 LEU HD21 . 34048 1 559 . 1 1 52 52 LEU HD22 H 1 0.45 0.01 . 2 . . . . A 446 LEU HD22 . 34048 1 560 . 1 1 52 52 LEU HD23 H 1 0.45 0.01 . 2 . . . . A 446 LEU HD23 . 34048 1 561 . 1 1 52 52 LEU CA C 13 53.28 0.02 . 1 . . . . A 446 LEU CA . 34048 1 562 . 1 1 52 52 LEU CB C 13 41.05 0.01 . 1 . . . . A 446 LEU CB . 34048 1 563 . 1 1 52 52 LEU CG C 13 26.77 0.10 . 1 . . . . A 446 LEU CG . 34048 1 564 . 1 1 52 52 LEU CD1 C 13 22.52 0.00 . 1 . . . . A 446 LEU CD1 . 34048 1 565 . 1 1 52 52 LEU CD2 C 13 25.55 0.00 . 1 . . . . A 446 LEU CD2 . 34048 1 566 . 1 1 52 52 LEU N N 15 128.29 0.02 . 1 . . . . A 446 LEU N . 34048 1 567 . 1 1 53 53 THR H H 1 7.61 0.01 . 1 . . . . A 447 THR H . 34048 1 568 . 1 1 53 53 THR HA H 1 4.76 0.01 . 1 . . . . A 447 THR HA . 34048 1 569 . 1 1 53 53 THR HB H 1 4.07 0.01 . 1 . . . . A 447 THR HB . 34048 1 570 . 1 1 53 53 THR HG21 H 1 1.04 0.01 . 1 . . . . A 447 THR HG21 . 34048 1 571 . 1 1 53 53 THR HG22 H 1 1.04 0.01 . 1 . . . . A 447 THR HG22 . 34048 1 572 . 1 1 53 53 THR HG23 H 1 1.04 0.01 . 1 . . . . A 447 THR HG23 . 34048 1 573 . 1 1 53 53 THR CA C 13 60.40 0.02 . 1 . . . . A 447 THR CA . 34048 1 574 . 1 1 53 53 THR CB C 13 70.47 0.01 . 1 . . . . A 447 THR CB . 34048 1 575 . 1 1 53 53 THR CG2 C 13 21.80 0.00 . 1 . . . . A 447 THR CG2 . 34048 1 576 . 1 1 53 53 THR N N 15 116.09 0.01 . 1 . . . . A 447 THR N . 34048 1 577 . 1 1 54 54 GLY H H 1 8.45 0.01 . 1 . . . . A 448 GLY H . 34048 1 578 . 1 1 54 54 GLY HA2 H 1 4.04 0.01 . 1 . . . . A 448 GLY HA2 . 34048 1 579 . 1 1 54 54 GLY HA3 H 1 3.71 0.01 . 1 . . . . A 448 GLY HA3 . 34048 1 580 . 1 1 54 54 GLY CA C 13 45.79 0.05 . 1 . . . . A 448 GLY CA . 34048 1 581 . 1 1 54 54 GLY N N 15 107.93 0.02 . 1 . . . . A 448 GLY N . 34048 1 582 . 1 1 55 55 LEU H H 1 7.32 0.00 . 1 . . . . A 449 LEU H . 34048 1 583 . 1 1 55 55 LEU HA H 1 4.09 0.01 . 1 . . . . A 449 LEU HA . 34048 1 584 . 1 1 55 55 LEU HB2 H 1 1.32 0.01 . 1 . . . . A 449 LEU HB2 . 34048 1 585 . 1 1 55 55 LEU HB3 H 1 1.15 0.01 . 1 . . . . A 449 LEU HB3 . 34048 1 586 . 1 1 55 55 LEU HG H 1 1.04 0.01 . 1 . . . . A 449 LEU HG . 34048 1 587 . 1 1 55 55 LEU HD11 H 1 0.28 0.00 . 2 . . . . A 449 LEU HD11 . 34048 1 588 . 1 1 55 55 LEU HD12 H 1 0.28 0.00 . 2 . . . . A 449 LEU HD12 . 34048 1 589 . 1 1 55 55 LEU HD13 H 1 0.28 0.00 . 2 . . . . A 449 LEU HD13 . 34048 1 590 . 1 1 55 55 LEU HD21 H 1 0.08 0.01 . 2 . . . . A 449 LEU HD21 . 34048 1 591 . 1 1 55 55 LEU HD22 H 1 0.08 0.01 . 2 . . . . A 449 LEU HD22 . 34048 1 592 . 1 1 55 55 LEU HD23 H 1 0.08 0.01 . 2 . . . . A 449 LEU HD23 . 34048 1 593 . 1 1 55 55 LEU CA C 13 54.92 0.05 . 1 . . . . A 449 LEU CA . 34048 1 594 . 1 1 55 55 LEU CB C 13 41.31 0.02 . 1 . . . . A 449 LEU CB . 34048 1 595 . 1 1 55 55 LEU CG C 13 27.58 0.04 . 1 . . . . A 449 LEU CG . 34048 1 596 . 1 1 55 55 LEU CD1 C 13 24.91 0.00 . 1 . . . . A 449 LEU CD1 . 34048 1 597 . 1 1 55 55 LEU CD2 C 13 21.75 0.00 . 1 . . . . A 449 LEU CD2 . 34048 1 598 . 1 1 55 55 LEU N N 15 119.30 0.01 . 1 . . . . A 449 LEU N . 34048 1 599 . 1 1 56 56 THR H H 1 8.63 0.01 . 1 . . . . A 450 THR H . 34048 1 600 . 1 1 56 56 THR HA H 1 3.97 0.01 . 1 . . . . A 450 THR HA . 34048 1 601 . 1 1 56 56 THR HB H 1 4.08 0.01 . 1 . . . . A 450 THR HB . 34048 1 602 . 1 1 56 56 THR HG21 H 1 1.15 0.00 . 1 . . . . A 450 THR HG21 . 34048 1 603 . 1 1 56 56 THR HG22 H 1 1.15 0.00 . 1 . . . . A 450 THR HG22 . 34048 1 604 . 1 1 56 56 THR HG23 H 1 1.15 0.00 . 1 . . . . A 450 THR HG23 . 34048 1 605 . 1 1 56 56 THR CA C 13 63.75 0.04 . 1 . . . . A 450 THR CA . 34048 1 606 . 1 1 56 56 THR CB C 13 68.98 0.03 . 1 . . . . A 450 THR CB . 34048 1 607 . 1 1 56 56 THR CG2 C 13 21.77 0.00 . 1 . . . . A 450 THR CG2 . 34048 1 608 . 1 1 56 56 THR N N 15 121.20 0.11 . 1 . . . . A 450 THR N . 34048 1 609 . 1 1 57 57 ARG H H 1 8.62 0.01 . 1 . . . . A 451 ARG H . 34048 1 610 . 1 1 57 57 ARG HA H 1 3.70 0.01 . 1 . . . . A 451 ARG HA . 34048 1 611 . 1 1 57 57 ARG HB2 H 1 1.69 0.01 . 1 . . . . A 451 ARG HB2 . 34048 1 612 . 1 1 57 57 ARG HB3 H 1 1.68 0.01 . 1 . . . . A 451 ARG HB3 . 34048 1 613 . 1 1 57 57 ARG HG2 H 1 1.67 0.02 . 1 . . . . A 451 ARG HG2 . 34048 1 614 . 1 1 57 57 ARG HG3 H 1 1.53 0.01 . 1 . . . . A 451 ARG HG3 . 34048 1 615 . 1 1 57 57 ARG HD2 H 1 3.14 0.01 . 1 . . . . A 451 ARG HD2 . 34048 1 616 . 1 1 57 57 ARG HD3 H 1 3.14 0.01 . 1 . . . . A 451 ARG HD3 . 34048 1 617 . 1 1 57 57 ARG CA C 13 58.52 0.05 . 1 . . . . A 451 ARG CA . 34048 1 618 . 1 1 57 57 ARG CB C 13 29.66 0.03 . 1 . . . . A 451 ARG CB . 34048 1 619 . 1 1 57 57 ARG CG C 13 27.90 0.06 . 1 . . . . A 451 ARG CG . 34048 1 620 . 1 1 57 57 ARG CD C 13 43.50 0.02 . 1 . . . . A 451 ARG CD . 34048 1 621 . 1 1 57 57 ARG N N 15 127.66 0.01 . 1 . . . . A 451 ARG N . 34048 1 622 . 1 1 58 58 GLY H H 1 8.52 0.01 . 1 . . . . A 452 GLY H . 34048 1 623 . 1 1 58 58 GLY HA2 H 1 4.15 0.01 . 1 . . . . A 452 GLY HA2 . 34048 1 624 . 1 1 58 58 GLY HA3 H 1 3.56 0.01 . 1 . . . . A 452 GLY HA3 . 34048 1 625 . 1 1 58 58 GLY CA C 13 45.26 0.04 . 1 . . . . A 452 GLY CA . 34048 1 626 . 1 1 58 58 GLY N N 15 113.84 0.01 . 1 . . . . A 452 GLY N . 34048 1 627 . 1 1 59 59 ALA H H 1 7.71 0.01 . 1 . . . . A 453 ALA H . 34048 1 628 . 1 1 59 59 ALA HA H 1 4.44 0.01 . 1 . . . . A 453 ALA HA . 34048 1 629 . 1 1 59 59 ALA HB1 H 1 1.24 0.01 . 1 . . . . A 453 ALA HB1 . 34048 1 630 . 1 1 59 59 ALA HB2 H 1 1.24 0.01 . 1 . . . . A 453 ALA HB2 . 34048 1 631 . 1 1 59 59 ALA HB3 H 1 1.24 0.01 . 1 . . . . A 453 ALA HB3 . 34048 1 632 . 1 1 59 59 ALA CA C 13 51.16 0.04 . 1 . . . . A 453 ALA CA . 34048 1 633 . 1 1 59 59 ALA CB C 13 20.32 0.00 . 1 . . . . A 453 ALA CB . 34048 1 634 . 1 1 59 59 ALA N N 15 123.48 0.00 . 1 . . . . A 453 ALA N . 34048 1 635 . 1 1 60 60 THR H H 1 8.17 0.01 . 1 . . . . A 454 THR H . 34048 1 636 . 1 1 60 60 THR HA H 1 5.23 0.01 . 1 . . . . A 454 THR HA . 34048 1 637 . 1 1 60 60 THR HB H 1 3.64 0.01 . 1 . . . . A 454 THR HB . 34048 1 638 . 1 1 60 60 THR HG1 H 1 5.08 0.00 . 1 . . . . A 454 THR HG1 . 34048 1 639 . 1 1 60 60 THR HG21 H 1 0.95 0.01 . 1 . . . . A 454 THR HG21 . 34048 1 640 . 1 1 60 60 THR HG22 H 1 0.95 0.01 . 1 . . . . A 454 THR HG22 . 34048 1 641 . 1 1 60 60 THR HG23 H 1 0.95 0.01 . 1 . . . . A 454 THR HG23 . 34048 1 642 . 1 1 60 60 THR CA C 13 61.91 0.02 . 1 . . . . A 454 THR CA . 34048 1 643 . 1 1 60 60 THR CB C 13 70.43 0.04 . 1 . . . . A 454 THR CB . 34048 1 644 . 1 1 60 60 THR CG2 C 13 21.89 0.00 . 1 . . . . A 454 THR CG2 . 34048 1 645 . 1 1 60 60 THR N N 15 116.48 0.01 . 1 . . . . A 454 THR N . 34048 1 646 . 1 1 61 61 TYR H H 1 9.34 0.01 . 1 . . . . A 455 TYR H . 34048 1 647 . 1 1 61 61 TYR HA H 1 4.95 0.01 . 1 . . . . A 455 TYR HA . 34048 1 648 . 1 1 61 61 TYR HB2 H 1 2.45 0.02 . 1 . . . . A 455 TYR HB2 . 34048 1 649 . 1 1 61 61 TYR HB3 H 1 2.42 0.02 . 1 . . . . A 455 TYR HB3 . 34048 1 650 . 1 1 61 61 TYR HD1 H 1 6.61 0.01 . 3 . . . . A 455 TYR HD1 . 34048 1 651 . 1 1 61 61 TYR HD2 H 1 6.61 0.01 . 3 . . . . A 455 TYR HD2 . 34048 1 652 . 1 1 61 61 TYR HE1 H 1 6.72 0.01 . 3 . . . . A 455 TYR HE1 . 34048 1 653 . 1 1 61 61 TYR HE2 H 1 6.72 0.01 . 3 . . . . A 455 TYR HE2 . 34048 1 654 . 1 1 61 61 TYR CA C 13 56.58 0.02 . 1 . . . . A 455 TYR CA . 34048 1 655 . 1 1 61 61 TYR CB C 13 42.63 0.05 . 1 . . . . A 455 TYR CB . 34048 1 656 . 1 1 61 61 TYR CD1 C 13 132.97 0.02 . 3 . . . . A 455 TYR CD1 . 34048 1 657 . 1 1 61 61 TYR CD2 C 13 132.97 0.02 . 3 . . . . A 455 TYR CD2 . 34048 1 658 . 1 1 61 61 TYR CE1 C 13 119.18 0.03 . 3 . . . . A 455 TYR CE1 . 34048 1 659 . 1 1 61 61 TYR CE2 C 13 119.18 0.03 . 3 . . . . A 455 TYR CE2 . 34048 1 660 . 1 1 61 61 TYR N N 15 123.89 0.01 . 1 . . . . A 455 TYR N . 34048 1 661 . 1 1 62 62 ASN H H 1 9.20 0.01 . 1 . . . . A 456 ASN H . 34048 1 662 . 1 1 62 62 ASN HA H 1 5.13 0.00 . 1 . . . . A 456 ASN HA . 34048 1 663 . 1 1 62 62 ASN HB2 H 1 2.72 0.01 . 1 . . . . A 456 ASN HB2 . 34048 1 664 . 1 1 62 62 ASN HB3 H 1 2.47 0.01 . 1 . . . . A 456 ASN HB3 . 34048 1 665 . 1 1 62 62 ASN HD21 H 1 7.02 0.01 . 1 . . . . A 456 ASN HD21 . 34048 1 666 . 1 1 62 62 ASN HD22 H 1 7.02 0.01 . 1 . . . . A 456 ASN HD22 . 34048 1 667 . 1 1 62 62 ASN CA C 13 52.98 0.03 . 1 . . . . A 456 ASN CA . 34048 1 668 . 1 1 62 62 ASN CB C 13 39.97 0.01 . 1 . . . . A 456 ASN CB . 34048 1 669 . 1 1 62 62 ASN N N 15 121.28 0.01 . 1 . . . . A 456 ASN N . 34048 1 670 . 1 1 62 62 ASN ND2 N 15 110.39 0.04 . 1 . . . . A 456 ASN ND2 . 34048 1 671 . 1 1 63 63 ILE H H 1 9.34 0.01 . 1 . . . . A 457 ILE H . 34048 1 672 . 1 1 63 63 ILE HA H 1 4.97 0.01 . 1 . . . . A 457 ILE HA . 34048 1 673 . 1 1 63 63 ILE HB H 1 1.78 0.02 . 1 . . . . A 457 ILE HB . 34048 1 674 . 1 1 63 63 ILE HG12 H 1 1.51 0.02 . 1 . . . . A 457 ILE HG12 . 34048 1 675 . 1 1 63 63 ILE HG13 H 1 0.92 0.01 . 1 . . . . A 457 ILE HG13 . 34048 1 676 . 1 1 63 63 ILE HG21 H 1 0.57 0.02 . 1 . . . . A 457 ILE HG21 . 34048 1 677 . 1 1 63 63 ILE HG22 H 1 0.57 0.02 . 1 . . . . A 457 ILE HG22 . 34048 1 678 . 1 1 63 63 ILE HG23 H 1 0.57 0.02 . 1 . . . . A 457 ILE HG23 . 34048 1 679 . 1 1 63 63 ILE HD11 H 1 0.52 0.01 . 1 . . . . A 457 ILE HD11 . 34048 1 680 . 1 1 63 63 ILE HD12 H 1 0.52 0.01 . 1 . . . . A 457 ILE HD12 . 34048 1 681 . 1 1 63 63 ILE HD13 H 1 0.52 0.01 . 1 . . . . A 457 ILE HD13 . 34048 1 682 . 1 1 63 63 ILE CA C 13 60.48 0.04 . 1 . . . . A 457 ILE CA . 34048 1 683 . 1 1 63 63 ILE CB C 13 38.48 0.04 . 1 . . . . A 457 ILE CB . 34048 1 684 . 1 1 63 63 ILE CG1 C 13 27.74 0.05 . 1 . . . . A 457 ILE CG1 . 34048 1 685 . 1 1 63 63 ILE CG2 C 13 17.64 0.05 . 1 . . . . A 457 ILE CG2 . 34048 1 686 . 1 1 63 63 ILE CD1 C 13 12.72 0.03 . 1 . . . . A 457 ILE CD1 . 34048 1 687 . 1 1 63 63 ILE N N 15 128.23 0.02 . 1 . . . . A 457 ILE N . 34048 1 688 . 1 1 64 64 ILE H H 1 8.89 0.01 . 1 . . . . A 458 ILE H . 34048 1 689 . 1 1 64 64 ILE HA H 1 4.71 0.01 . 1 . . . . A 458 ILE HA . 34048 1 690 . 1 1 64 64 ILE HB H 1 1.73 0.01 . 1 . . . . A 458 ILE HB . 34048 1 691 . 1 1 64 64 ILE HG12 H 1 1.53 0.02 . 1 . . . . A 458 ILE HG12 . 34048 1 692 . 1 1 64 64 ILE HG13 H 1 0.93 0.01 . 1 . . . . A 458 ILE HG13 . 34048 1 693 . 1 1 64 64 ILE HG21 H 1 0.83 0.01 . 1 . . . . A 458 ILE HG21 . 34048 1 694 . 1 1 64 64 ILE HG22 H 1 0.83 0.01 . 1 . . . . A 458 ILE HG22 . 34048 1 695 . 1 1 64 64 ILE HG23 H 1 0.83 0.01 . 1 . . . . A 458 ILE HG23 . 34048 1 696 . 1 1 64 64 ILE HD11 H 1 0.68 0.01 . 1 . . . . A 458 ILE HD11 . 34048 1 697 . 1 1 64 64 ILE HD12 H 1 0.68 0.01 . 1 . . . . A 458 ILE HD12 . 34048 1 698 . 1 1 64 64 ILE HD13 H 1 0.68 0.01 . 1 . . . . A 458 ILE HD13 . 34048 1 699 . 1 1 64 64 ILE CA C 13 59.77 0.04 . 1 . . . . A 458 ILE CA . 34048 1 700 . 1 1 64 64 ILE CB C 13 41.42 0.01 . 1 . . . . A 458 ILE CB . 34048 1 701 . 1 1 64 64 ILE CG1 C 13 28.18 0.10 . 1 . . . . A 458 ILE CG1 . 34048 1 702 . 1 1 64 64 ILE CG2 C 13 18.01 0.01 . 1 . . . . A 458 ILE CG2 . 34048 1 703 . 1 1 64 64 ILE CD1 C 13 13.66 0.00 . 1 . . . . A 458 ILE CD1 . 34048 1 704 . 1 1 64 64 ILE N N 15 126.52 0.01 . 1 . . . . A 458 ILE N . 34048 1 705 . 1 1 65 65 VAL H H 1 8.77 0.01 . 1 . . . . A 459 VAL H . 34048 1 706 . 1 1 65 65 VAL HA H 1 4.39 0.01 . 1 . . . . A 459 VAL HA . 34048 1 707 . 1 1 65 65 VAL HB H 1 1.41 0.01 . 1 . . . . A 459 VAL HB . 34048 1 708 . 1 1 65 65 VAL HG11 H 1 -0.64 0.00 . 2 . . . . A 459 VAL HG11 . 34048 1 709 . 1 1 65 65 VAL HG12 H 1 -0.64 0.00 . 2 . . . . A 459 VAL HG12 . 34048 1 710 . 1 1 65 65 VAL HG13 H 1 -0.64 0.00 . 2 . . . . A 459 VAL HG13 . 34048 1 711 . 1 1 65 65 VAL HG21 H 1 0.37 0.00 . 2 . . . . A 459 VAL HG21 . 34048 1 712 . 1 1 65 65 VAL HG22 H 1 0.37 0.00 . 2 . . . . A 459 VAL HG22 . 34048 1 713 . 1 1 65 65 VAL HG23 H 1 0.37 0.00 . 2 . . . . A 459 VAL HG23 . 34048 1 714 . 1 1 65 65 VAL CA C 13 61.11 0.03 . 1 . . . . A 459 VAL CA . 34048 1 715 . 1 1 65 65 VAL CB C 13 32.79 0.04 . 1 . . . . A 459 VAL CB . 34048 1 716 . 1 1 65 65 VAL CG1 C 13 18.95 0.00 . 1 . . . . A 459 VAL CG1 . 34048 1 717 . 1 1 65 65 VAL CG2 C 13 20.05 0.00 . 1 . . . . A 459 VAL CG2 . 34048 1 718 . 1 1 65 65 VAL N N 15 125.60 0.01 . 1 . . . . A 459 VAL N . 34048 1 719 . 1 1 66 66 GLU H H 1 9.13 0.01 . 1 . . . . A 460 GLU H . 34048 1 720 . 1 1 66 66 GLU HA H 1 4.96 0.01 . 1 . . . . A 460 GLU HA . 34048 1 721 . 1 1 66 66 GLU HB2 H 1 1.79 0.02 . 1 . . . . A 460 GLU HB2 . 34048 1 722 . 1 1 66 66 GLU HB3 H 1 1.50 0.01 . 1 . . . . A 460 GLU HB3 . 34048 1 723 . 1 1 66 66 GLU HG2 H 1 2.01 0.01 . 1 . . . . A 460 GLU HG2 . 34048 1 724 . 1 1 66 66 GLU HG3 H 1 1.71 0.01 . 1 . . . . A 460 GLU HG3 . 34048 1 725 . 1 1 66 66 GLU CA C 13 53.97 0.01 . 1 . . . . A 460 GLU CA . 34048 1 726 . 1 1 66 66 GLU CB C 13 34.50 0.04 . 1 . . . . A 460 GLU CB . 34048 1 727 . 1 1 66 66 GLU CG C 13 37.80 0.02 . 1 . . . . A 460 GLU CG . 34048 1 728 . 1 1 66 66 GLU N N 15 126.13 0.02 . 1 . . . . A 460 GLU N . 34048 1 729 . 1 1 67 67 ALA H H 1 9.24 0.01 . 1 . . . . A 461 ALA H . 34048 1 730 . 1 1 67 67 ALA HA H 1 4.26 0.01 . 1 . . . . A 461 ALA HA . 34048 1 731 . 1 1 67 67 ALA HB1 H 1 1.01 0.01 . 1 . . . . A 461 ALA HB1 . 34048 1 732 . 1 1 67 67 ALA HB2 H 1 1.01 0.01 . 1 . . . . A 461 ALA HB2 . 34048 1 733 . 1 1 67 67 ALA HB3 H 1 1.01 0.01 . 1 . . . . A 461 ALA HB3 . 34048 1 734 . 1 1 67 67 ALA CA C 13 50.75 0.02 . 1 . . . . A 461 ALA CA . 34048 1 735 . 1 1 67 67 ALA CB C 13 21.82 0.00 . 1 . . . . A 461 ALA CB . 34048 1 736 . 1 1 67 67 ALA N N 15 125.27 0.03 . 1 . . . . A 461 ALA N . 34048 1 737 . 1 1 68 68 LEU H H 1 8.40 0.00 . 1 . . . . A 462 LEU H . 34048 1 738 . 1 1 68 68 LEU HA H 1 4.89 0.01 . 1 . . . . A 462 LEU HA . 34048 1 739 . 1 1 68 68 LEU HB2 H 1 1.67 0.01 . 1 . . . . A 462 LEU HB2 . 34048 1 740 . 1 1 68 68 LEU HB3 H 1 1.25 0.02 . 1 . . . . A 462 LEU HB3 . 34048 1 741 . 1 1 68 68 LEU HG H 1 1.30 0.02 . 1 . . . . A 462 LEU HG . 34048 1 742 . 1 1 68 68 LEU HD11 H 1 0.58 0.02 . 2 . . . . A 462 LEU HD11 . 34048 1 743 . 1 1 68 68 LEU HD12 H 1 0.58 0.02 . 2 . . . . A 462 LEU HD12 . 34048 1 744 . 1 1 68 68 LEU HD13 H 1 0.58 0.02 . 2 . . . . A 462 LEU HD13 . 34048 1 745 . 1 1 68 68 LEU HD21 H 1 0.64 0.02 . 2 . . . . A 462 LEU HD21 . 34048 1 746 . 1 1 68 68 LEU HD22 H 1 0.64 0.02 . 2 . . . . A 462 LEU HD22 . 34048 1 747 . 1 1 68 68 LEU HD23 H 1 0.64 0.02 . 2 . . . . A 462 LEU HD23 . 34048 1 748 . 1 1 68 68 LEU CA C 13 53.99 0.01 . 1 . . . . A 462 LEU CA . 34048 1 749 . 1 1 68 68 LEU CB C 13 42.91 0.06 . 1 . . . . A 462 LEU CB . 34048 1 750 . 1 1 68 68 LEU CG C 13 27.44 0.03 . 1 . . . . A 462 LEU CG . 34048 1 751 . 1 1 68 68 LEU CD1 C 13 24.11 0.00 . 1 . . . . A 462 LEU CD1 . 34048 1 752 . 1 1 68 68 LEU CD2 C 13 25.20 0.00 . 1 . . . . A 462 LEU CD2 . 34048 1 753 . 1 1 68 68 LEU N N 15 124.31 0.04 . 1 . . . . A 462 LEU N . 34048 1 754 . 1 1 69 69 LYS H H 1 8.54 0.01 . 1 . . . . A 463 LYS H . 34048 1 755 . 1 1 69 69 LYS HA H 1 4.55 0.01 . 1 . . . . A 463 LYS HA . 34048 1 756 . 1 1 69 69 LYS HB2 H 1 1.66 0.01 . 1 . . . . A 463 LYS HB2 . 34048 1 757 . 1 1 69 69 LYS HB3 H 1 1.66 0.01 . 1 . . . . A 463 LYS HB3 . 34048 1 758 . 1 1 69 69 LYS HG2 H 1 1.45 0.01 . 1 . . . . A 463 LYS HG2 . 34048 1 759 . 1 1 69 69 LYS HG3 H 1 1.21 0.01 . 1 . . . . A 463 LYS HG3 . 34048 1 760 . 1 1 69 69 LYS HD2 H 1 1.63 0.01 . 1 . . . . A 463 LYS HD2 . 34048 1 761 . 1 1 69 69 LYS HD3 H 1 1.46 0.01 . 1 . . . . A 463 LYS HD3 . 34048 1 762 . 1 1 69 69 LYS HE2 H 1 2.85 0.01 . 1 . . . . A 463 LYS HE2 . 34048 1 763 . 1 1 69 69 LYS HE3 H 1 2.85 0.01 . 1 . . . . A 463 LYS HE3 . 34048 1 764 . 1 1 69 69 LYS CA C 13 55.97 0.08 . 1 . . . . A 463 LYS CA . 34048 1 765 . 1 1 69 69 LYS CB C 13 35.20 0.03 . 1 . . . . A 463 LYS CB . 34048 1 766 . 1 1 69 69 LYS CG C 13 24.84 0.01 . 1 . . . . A 463 LYS CG . 34048 1 767 . 1 1 69 69 LYS CD C 13 29.55 0.04 . 1 . . . . A 463 LYS CD . 34048 1 768 . 1 1 69 69 LYS CE C 13 42.37 0.04 . 1 . . . . A 463 LYS CE . 34048 1 769 . 1 1 69 69 LYS N N 15 125.80 0.04 . 1 . . . . A 463 LYS N . 34048 1 770 . 1 1 70 70 ASP H H 1 9.43 0.01 . 1 . . . . A 464 ASP H . 34048 1 771 . 1 1 70 70 ASP HA H 1 4.20 0.01 . 1 . . . . A 464 ASP HA . 34048 1 772 . 1 1 70 70 ASP HB2 H 1 2.87 0.01 . 1 . . . . A 464 ASP HB2 . 34048 1 773 . 1 1 70 70 ASP HB3 H 1 2.74 0.01 . 1 . . . . A 464 ASP HB3 . 34048 1 774 . 1 1 70 70 ASP CA C 13 56.41 0.03 . 1 . . . . A 464 ASP CA . 34048 1 775 . 1 1 70 70 ASP CB C 13 39.28 0.03 . 1 . . . . A 464 ASP CB . 34048 1 776 . 1 1 70 70 ASP N N 15 128.87 0.04 . 1 . . . . A 464 ASP N . 34048 1 777 . 1 1 71 71 GLN H H 1 8.55 0.01 . 1 . . . . A 465 GLN H . 34048 1 778 . 1 1 71 71 GLN HA H 1 3.79 0.00 . 1 . . . . A 465 GLN HA . 34048 1 779 . 1 1 71 71 GLN HB2 H 1 2.25 0.01 . 1 . . . . A 465 GLN HB2 . 34048 1 780 . 1 1 71 71 GLN HB3 H 1 2.18 0.01 . 1 . . . . A 465 GLN HB3 . 34048 1 781 . 1 1 71 71 GLN HG2 H 1 2.25 0.01 . 1 . . . . A 465 GLN HG2 . 34048 1 782 . 1 1 71 71 GLN HG3 H 1 2.22 0.01 . 1 . . . . A 465 GLN HG3 . 34048 1 783 . 1 1 71 71 GLN CA C 13 57.21 0.03 . 1 . . . . A 465 GLN CA . 34048 1 784 . 1 1 71 71 GLN CB C 13 27.40 0.02 . 1 . . . . A 465 GLN CB . 34048 1 785 . 1 1 71 71 GLN CG C 13 34.33 0.05 . 1 . . . . A 465 GLN CG . 34048 1 786 . 1 1 71 71 GLN N N 15 110.83 0.02 . 1 . . . . A 465 GLN N . 34048 1 787 . 1 1 72 72 GLN H H 1 8.00 0.01 . 1 . . . . A 466 GLN H . 34048 1 788 . 1 1 72 72 GLN HA H 1 4.45 0.01 . 1 . . . . A 466 GLN HA . 34048 1 789 . 1 1 72 72 GLN HB2 H 1 1.97 0.01 . 1 . . . . A 466 GLN HB2 . 34048 1 790 . 1 1 72 72 GLN HB3 H 1 1.88 0.01 . 1 . . . . A 466 GLN HB3 . 34048 1 791 . 1 1 72 72 GLN HG2 H 1 2.25 0.02 . 1 . . . . A 466 GLN HG2 . 34048 1 792 . 1 1 72 72 GLN HG3 H 1 2.21 0.02 . 1 . . . . A 466 GLN HG3 . 34048 1 793 . 1 1 72 72 GLN CA C 13 54.35 0.01 . 1 . . . . A 466 GLN CA . 34048 1 794 . 1 1 72 72 GLN CB C 13 31.36 0.02 . 1 . . . . A 466 GLN CB . 34048 1 795 . 1 1 72 72 GLN CG C 13 33.55 0.04 . 1 . . . . A 466 GLN CG . 34048 1 796 . 1 1 72 72 GLN N N 15 119.88 0.03 . 1 . . . . A 466 GLN N . 34048 1 797 . 1 1 73 73 ARG H H 1 8.30 0.01 . 1 . . . . A 467 ARG H . 34048 1 798 . 1 1 73 73 ARG HA H 1 4.86 0.01 . 1 . . . . A 467 ARG HA . 34048 1 799 . 1 1 73 73 ARG HB2 H 1 1.44 0.01 . 1 . . . . A 467 ARG HB2 . 34048 1 800 . 1 1 73 73 ARG HB3 H 1 1.42 0.02 . 1 . . . . A 467 ARG HB3 . 34048 1 801 . 1 1 73 73 ARG HG2 H 1 1.43 0.01 . 1 . . . . A 467 ARG HG2 . 34048 1 802 . 1 1 73 73 ARG HG3 H 1 1.08 0.01 . 1 . . . . A 467 ARG HG3 . 34048 1 803 . 1 1 73 73 ARG HD2 H 1 2.91 0.01 . 1 . . . . A 467 ARG HD2 . 34048 1 804 . 1 1 73 73 ARG HD3 H 1 2.90 0.02 . 1 . . . . A 467 ARG HD3 . 34048 1 805 . 1 1 73 73 ARG CA C 13 55.17 0.03 . 1 . . . . A 467 ARG CA . 34048 1 806 . 1 1 73 73 ARG CB C 13 32.44 0.01 . 1 . . . . A 467 ARG CB . 34048 1 807 . 1 1 73 73 ARG CG C 13 27.81 0.03 . 1 . . . . A 467 ARG CG . 34048 1 808 . 1 1 73 73 ARG CD C 13 43.70 0.03 . 1 . . . . A 467 ARG CD . 34048 1 809 . 1 1 73 73 ARG N N 15 121.19 0.03 . 1 . . . . A 467 ARG N . 34048 1 810 . 1 1 74 74 HIS H H 1 8.84 0.01 . 1 . . . . A 468 HIS H . 34048 1 811 . 1 1 74 74 HIS HA H 1 4.58 0.00 . 1 . . . . A 468 HIS HA . 34048 1 812 . 1 1 74 74 HIS HB2 H 1 2.58 0.01 . 1 . . . . A 468 HIS HB2 . 34048 1 813 . 1 1 74 74 HIS HB3 H 1 2.27 0.01 . 1 . . . . A 468 HIS HB3 . 34048 1 814 . 1 1 74 74 HIS HD2 H 1 6.57 0.01 . 1 . . . . A 468 HIS HD2 . 34048 1 815 . 1 1 74 74 HIS CA C 13 54.37 0.05 . 1 . . . . A 468 HIS CA . 34048 1 816 . 1 1 74 74 HIS CB C 13 32.67 0.05 . 1 . . . . A 468 HIS CB . 34048 1 817 . 1 1 74 74 HIS N N 15 122.36 0.01 . 1 . . . . A 468 HIS N . 34048 1 818 . 1 1 75 75 LYS H H 1 9.01 0.01 . 1 . . . . A 469 LYS H . 34048 1 819 . 1 1 75 75 LYS HA H 1 4.03 0.01 . 1 . . . . A 469 LYS HA . 34048 1 820 . 1 1 75 75 LYS HB2 H 1 1.72 0.02 . 1 . . . . A 469 LYS HB2 . 34048 1 821 . 1 1 75 75 LYS HB3 H 1 1.72 0.02 . 1 . . . . A 469 LYS HB3 . 34048 1 822 . 1 1 75 75 LYS HG2 H 1 1.28 0.00 . 1 . . . . A 469 LYS HG2 . 34048 1 823 . 1 1 75 75 LYS HG3 H 1 1.13 0.01 . 1 . . . . A 469 LYS HG3 . 34048 1 824 . 1 1 75 75 LYS HD2 H 1 1.58 0.01 . 1 . . . . A 469 LYS HD2 . 34048 1 825 . 1 1 75 75 LYS HD3 H 1 1.58 0.01 . 1 . . . . A 469 LYS HD3 . 34048 1 826 . 1 1 75 75 LYS HE2 H 1 2.78 0.01 . 1 . . . . A 469 LYS HE2 . 34048 1 827 . 1 1 75 75 LYS HE3 H 1 2.78 0.01 . 1 . . . . A 469 LYS HE3 . 34048 1 828 . 1 1 75 75 LYS CA C 13 58.68 0.02 . 1 . . . . A 469 LYS CA . 34048 1 829 . 1 1 75 75 LYS CB C 13 31.97 0.14 . 1 . . . . A 469 LYS CB . 34048 1 830 . 1 1 75 75 LYS CG C 13 24.96 0.01 . 1 . . . . A 469 LYS CG . 34048 1 831 . 1 1 75 75 LYS CD C 13 29.49 0.06 . 1 . . . . A 469 LYS CD . 34048 1 832 . 1 1 75 75 LYS CE C 13 41.70 0.03 . 1 . . . . A 469 LYS CE . 34048 1 833 . 1 1 75 75 LYS N N 15 126.94 0.01 . 1 . . . . A 469 LYS N . 34048 1 834 . 1 1 76 76 VAL H H 1 8.87 0.01 . 1 . . . . A 470 VAL H . 34048 1 835 . 1 1 76 76 VAL HA H 1 4.27 0.01 . 1 . . . . A 470 VAL HA . 34048 1 836 . 1 1 76 76 VAL HB H 1 1.91 0.00 . 1 . . . . A 470 VAL HB . 34048 1 837 . 1 1 76 76 VAL HG11 H 1 0.88 0.01 . 2 . . . . A 470 VAL HG11 . 34048 1 838 . 1 1 76 76 VAL HG12 H 1 0.88 0.01 . 2 . . . . A 470 VAL HG12 . 34048 1 839 . 1 1 76 76 VAL HG13 H 1 0.88 0.01 . 2 . . . . A 470 VAL HG13 . 34048 1 840 . 1 1 76 76 VAL HG21 H 1 0.59 0.01 . 2 . . . . A 470 VAL HG21 . 34048 1 841 . 1 1 76 76 VAL HG22 H 1 0.59 0.01 . 2 . . . . A 470 VAL HG22 . 34048 1 842 . 1 1 76 76 VAL HG23 H 1 0.59 0.01 . 2 . . . . A 470 VAL HG23 . 34048 1 843 . 1 1 76 76 VAL CA C 13 62.56 0.02 . 1 . . . . A 470 VAL CA . 34048 1 844 . 1 1 76 76 VAL CB C 13 33.46 0.02 . 1 . . . . A 470 VAL CB . 34048 1 845 . 1 1 76 76 VAL CG1 C 13 21.78 0.03 . 1 . . . . A 470 VAL CG1 . 34048 1 846 . 1 1 76 76 VAL CG2 C 13 20.96 0.00 . 1 . . . . A 470 VAL CG2 . 34048 1 847 . 1 1 76 76 VAL N N 15 123.68 0.02 . 1 . . . . A 470 VAL N . 34048 1 848 . 1 1 77 77 ARG H H 1 7.59 0.01 . 1 . . . . A 471 ARG H . 34048 1 849 . 1 1 77 77 ARG HA H 1 4.57 0.01 . 1 . . . . A 471 ARG HA . 34048 1 850 . 1 1 77 77 ARG HB2 H 1 1.91 0.01 . 1 . . . . A 471 ARG HB2 . 34048 1 851 . 1 1 77 77 ARG HB3 H 1 1.55 0.02 . 1 . . . . A 471 ARG HB3 . 34048 1 852 . 1 1 77 77 ARG HG2 H 1 1.58 0.02 . 1 . . . . A 471 ARG HG2 . 34048 1 853 . 1 1 77 77 ARG HG3 H 1 1.56 0.01 . 1 . . . . A 471 ARG HG3 . 34048 1 854 . 1 1 77 77 ARG HD2 H 1 3.50 0.01 . 1 . . . . A 471 ARG HD2 . 34048 1 855 . 1 1 77 77 ARG HD3 H 1 3.32 0.01 . 1 . . . . A 471 ARG HD3 . 34048 1 856 . 1 1 77 77 ARG CA C 13 55.90 0.04 . 1 . . . . A 471 ARG CA . 34048 1 857 . 1 1 77 77 ARG CB C 13 33.55 0.03 . 1 . . . . A 471 ARG CB . 34048 1 858 . 1 1 77 77 ARG CG C 13 27.68 0.02 . 1 . . . . A 471 ARG CG . 34048 1 859 . 1 1 77 77 ARG CD C 13 43.53 0.02 . 1 . . . . A 471 ARG CD . 34048 1 860 . 1 1 77 77 ARG N N 15 118.60 0.02 . 1 . . . . A 471 ARG N . 34048 1 861 . 1 1 78 78 GLU H H 1 8.40 0.01 . 1 . . . . A 472 GLU H . 34048 1 862 . 1 1 78 78 GLU HA H 1 5.41 0.01 . 1 . . . . A 472 GLU HA . 34048 1 863 . 1 1 78 78 GLU HB2 H 1 1.87 0.01 . 1 . . . . A 472 GLU HB2 . 34048 1 864 . 1 1 78 78 GLU HB3 H 1 1.87 0.01 . 1 . . . . A 472 GLU HB3 . 34048 1 865 . 1 1 78 78 GLU HG2 H 1 2.10 0.01 . 1 . . . . A 472 GLU HG2 . 34048 1 866 . 1 1 78 78 GLU HG3 H 1 2.09 0.01 . 1 . . . . A 472 GLU HG3 . 34048 1 867 . 1 1 78 78 GLU CA C 13 55.16 0.07 . 1 . . . . A 472 GLU CA . 34048 1 868 . 1 1 78 78 GLU CB C 13 32.97 0.05 . 1 . . . . A 472 GLU CB . 34048 1 869 . 1 1 78 78 GLU CG C 13 35.68 0.02 . 1 . . . . A 472 GLU CG . 34048 1 870 . 1 1 78 78 GLU N N 15 124.17 0.11 . 1 . . . . A 472 GLU N . 34048 1 871 . 1 1 79 79 GLU H H 1 9.12 0.01 . 1 . . . . A 473 GLU H . 34048 1 872 . 1 1 79 79 GLU HA H 1 4.68 0.02 . 1 . . . . A 473 GLU HA . 34048 1 873 . 1 1 79 79 GLU HB2 H 1 1.87 0.01 . 1 . . . . A 473 GLU HB2 . 34048 1 874 . 1 1 79 79 GLU HB3 H 1 1.80 0.01 . 1 . . . . A 473 GLU HB3 . 34048 1 875 . 1 1 79 79 GLU HG2 H 1 2.09 0.02 . 1 . . . . A 473 GLU HG2 . 34048 1 876 . 1 1 79 79 GLU HG3 H 1 2.08 0.02 . 1 . . . . A 473 GLU HG3 . 34048 1 877 . 1 1 79 79 GLU CA C 13 55.35 0.07 . 1 . . . . A 473 GLU CA . 34048 1 878 . 1 1 79 79 GLU CB C 13 34.31 0.05 . 1 . . . . A 473 GLU CB . 34048 1 879 . 1 1 79 79 GLU CG C 13 35.73 0.03 . 1 . . . . A 473 GLU CG . 34048 1 880 . 1 1 79 79 GLU N N 15 124.45 0.04 . 1 . . . . A 473 GLU N . 34048 1 881 . 1 1 80 80 VAL H H 1 8.52 0.01 . 1 . . . . A 474 VAL H . 34048 1 882 . 1 1 80 80 VAL HA H 1 4.96 0.01 . 1 . . . . A 474 VAL HA . 34048 1 883 . 1 1 80 80 VAL HB H 1 1.86 0.01 . 1 . . . . A 474 VAL HB . 34048 1 884 . 1 1 80 80 VAL HG11 H 1 0.73 0.01 . 2 . . . . A 474 VAL HG11 . 34048 1 885 . 1 1 80 80 VAL HG12 H 1 0.73 0.01 . 2 . . . . A 474 VAL HG12 . 34048 1 886 . 1 1 80 80 VAL HG13 H 1 0.73 0.01 . 2 . . . . A 474 VAL HG13 . 34048 1 887 . 1 1 80 80 VAL HG21 H 1 0.89 0.01 . 2 . . . . A 474 VAL HG21 . 34048 1 888 . 1 1 80 80 VAL HG22 H 1 0.89 0.01 . 2 . . . . A 474 VAL HG22 . 34048 1 889 . 1 1 80 80 VAL HG23 H 1 0.89 0.01 . 2 . . . . A 474 VAL HG23 . 34048 1 890 . 1 1 80 80 VAL CA C 13 61.88 0.02 . 1 . . . . A 474 VAL CA . 34048 1 891 . 1 1 80 80 VAL CB C 13 32.42 0.07 . 1 . . . . A 474 VAL CB . 34048 1 892 . 1 1 80 80 VAL CG1 C 13 21.47 0.00 . 1 . . . . A 474 VAL CG1 . 34048 1 893 . 1 1 80 80 VAL CG2 C 13 21.40 0.00 . 1 . . . . A 474 VAL CG2 . 34048 1 894 . 1 1 80 80 VAL N N 15 124.93 0.03 . 1 . . . . A 474 VAL N . 34048 1 895 . 1 1 81 81 VAL H H 1 9.16 0.01 . 1 . . . . A 475 VAL H . 34048 1 896 . 1 1 81 81 VAL HA H 1 4.51 0.01 . 1 . . . . A 475 VAL HA . 34048 1 897 . 1 1 81 81 VAL HB H 1 1.85 0.01 . 1 . . . . A 475 VAL HB . 34048 1 898 . 1 1 81 81 VAL HG11 H 1 0.79 0.01 . 2 . . . . A 475 VAL HG11 . 34048 1 899 . 1 1 81 81 VAL HG12 H 1 0.79 0.01 . 2 . . . . A 475 VAL HG12 . 34048 1 900 . 1 1 81 81 VAL HG13 H 1 0.79 0.01 . 2 . . . . A 475 VAL HG13 . 34048 1 901 . 1 1 81 81 VAL HG21 H 1 0.80 0.01 . 2 . . . . A 475 VAL HG21 . 34048 1 902 . 1 1 81 81 VAL HG22 H 1 0.80 0.01 . 2 . . . . A 475 VAL HG22 . 34048 1 903 . 1 1 81 81 VAL HG23 H 1 0.80 0.01 . 2 . . . . A 475 VAL HG23 . 34048 1 904 . 1 1 81 81 VAL CA C 13 60.50 0.02 . 1 . . . . A 475 VAL CA . 34048 1 905 . 1 1 81 81 VAL CB C 13 36.27 0.05 . 1 . . . . A 475 VAL CB . 34048 1 906 . 1 1 81 81 VAL CG1 C 13 20.71 0.00 . 1 . . . . A 475 VAL CG1 . 34048 1 907 . 1 1 81 81 VAL CG2 C 13 21.01 0.08 . 1 . . . . A 475 VAL CG2 . 34048 1 908 . 1 1 81 81 VAL N N 15 126.75 0.03 . 1 . . . . A 475 VAL N . 34048 1 909 . 1 1 82 82 THR H H 1 8.73 0.01 . 1 . . . . A 476 THR H . 34048 1 910 . 1 1 82 82 THR HA H 1 4.96 0.01 . 1 . . . . A 476 THR HA . 34048 1 911 . 1 1 82 82 THR HB H 1 3.77 0.01 . 1 . . . . A 476 THR HB . 34048 1 912 . 1 1 82 82 THR HG21 H 1 0.91 0.02 . 1 . . . . A 476 THR HG21 . 34048 1 913 . 1 1 82 82 THR HG22 H 1 0.91 0.02 . 1 . . . . A 476 THR HG22 . 34048 1 914 . 1 1 82 82 THR HG23 H 1 0.91 0.02 . 1 . . . . A 476 THR HG23 . 34048 1 915 . 1 1 82 82 THR CA C 13 61.87 0.02 . 1 . . . . A 476 THR CA . 34048 1 916 . 1 1 82 82 THR CB C 13 69.66 0.04 . 1 . . . . A 476 THR CB . 34048 1 917 . 1 1 82 82 THR CG2 C 13 21.28 0.00 . 1 . . . . A 476 THR CG2 . 34048 1 918 . 1 1 82 82 THR N N 15 123.49 0.01 . 1 . . . . A 476 THR N . 34048 1 919 . 1 1 83 83 VAL H H 1 8.63 0.01 . 1 . . . . A 477 VAL H . 34048 1 920 . 1 1 83 83 VAL HA H 1 3.74 0.01 . 1 . . . . A 477 VAL HA . 34048 1 921 . 1 1 83 83 VAL HB H 1 2.36 0.00 . 1 . . . . A 477 VAL HB . 34048 1 922 . 1 1 83 83 VAL HG11 H 1 0.77 0.01 . 2 . . . . A 477 VAL HG11 . 34048 1 923 . 1 1 83 83 VAL HG12 H 1 0.77 0.01 . 2 . . . . A 477 VAL HG12 . 34048 1 924 . 1 1 83 83 VAL HG13 H 1 0.77 0.01 . 2 . . . . A 477 VAL HG13 . 34048 1 925 . 1 1 83 83 VAL HG21 H 1 0.95 0.01 . 2 . . . . A 477 VAL HG21 . 34048 1 926 . 1 1 83 83 VAL HG22 H 1 0.95 0.01 . 2 . . . . A 477 VAL HG22 . 34048 1 927 . 1 1 83 83 VAL HG23 H 1 0.95 0.01 . 2 . . . . A 477 VAL HG23 . 34048 1 928 . 1 1 83 83 VAL CA C 13 63.57 0.02 . 1 . . . . A 477 VAL CA . 34048 1 929 . 1 1 83 83 VAL CB C 13 31.52 0.05 . 1 . . . . A 477 VAL CB . 34048 1 930 . 1 1 83 83 VAL CG1 C 13 21.32 0.04 . 1 . . . . A 477 VAL CG1 . 34048 1 931 . 1 1 83 83 VAL CG2 C 13 22.89 0.01 . 1 . . . . A 477 VAL CG2 . 34048 1 932 . 1 1 83 83 VAL N N 15 129.31 0.03 . 1 . . . . A 477 VAL N . 34048 1 933 . 1 1 84 84 GLY H H 1 8.74 0.01 . 1 . . . . A 478 GLY H . 34048 1 934 . 1 1 84 84 GLY HA2 H 1 3.98 0.02 . 1 . . . . A 478 GLY HA2 . 34048 1 935 . 1 1 84 84 GLY HA3 H 1 3.94 0.02 . 1 . . . . A 478 GLY HA3 . 34048 1 936 . 1 1 84 84 GLY CA C 13 45.37 0.01 . 1 . . . . A 478 GLY CA . 34048 1 937 . 1 1 84 84 GLY N N 15 116.47 0.01 . 1 . . . . A 478 GLY N . 34048 1 938 . 1 1 85 85 ASN H H 1 8.22 0.01 . 1 . . . . A 479 ASN H . 34048 1 939 . 1 1 85 85 ASN HA H 1 4.70 0.01 . 1 . . . . A 479 ASN HA . 34048 1 940 . 1 1 85 85 ASN HB2 H 1 2.75 0.02 . 1 . . . . A 479 ASN HB2 . 34048 1 941 . 1 1 85 85 ASN HB3 H 1 2.66 0.02 . 1 . . . . A 479 ASN HB3 . 34048 1 942 . 1 1 85 85 ASN HD21 H 1 6.85 0.00 . 1 . . . . A 479 ASN HD21 . 34048 1 943 . 1 1 85 85 ASN HD22 H 1 7.53 0.01 . 1 . . . . A 479 ASN HD22 . 34048 1 944 . 1 1 85 85 ASN CA C 13 53.10 0.00 . 1 . . . . A 479 ASN CA . 34048 1 945 . 1 1 85 85 ASN CB C 13 39.26 0.04 . 1 . . . . A 479 ASN CB . 34048 1 946 . 1 1 85 85 ASN N N 15 118.81 0.05 . 1 . . . . A 479 ASN N . 34048 1 947 . 1 1 85 85 ASN ND2 N 15 112.76 0.03 . 1 . . . . A 479 ASN ND2 . 34048 1 948 . 1 1 86 86 SER H H 1 8.32 0.01 . 1 . . . . A 480 SER H . 34048 1 949 . 1 1 86 86 SER HA H 1 4.33 0.00 . 1 . . . . A 480 SER HA . 34048 1 950 . 1 1 86 86 SER HB2 H 1 3.81 0.02 . 1 . . . . A 480 SER HB2 . 34048 1 951 . 1 1 86 86 SER HB3 H 1 3.75 0.02 . 1 . . . . A 480 SER HB3 . 34048 1 952 . 1 1 86 86 SER CA C 13 58.63 0.02 . 1 . . . . A 480 SER CA . 34048 1 953 . 1 1 86 86 SER CB C 13 63.75 0.05 . 1 . . . . A 480 SER CB . 34048 1 954 . 1 1 86 86 SER N N 15 115.99 0.02 . 1 . . . . A 480 SER N . 34048 1 stop_ save_