data_19398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19398 _Entry.Title ; Solution structure of the forkhead domain of Brugia malayi DAF-16a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-30 _Entry.Accession_date 2013-07-30 _Entry.Last_release_date 2013-09-10 _Entry.Original_release_date 2013-09-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Veldkamp . T. . 19398 2 F. Peterson . C. . 19398 3 S. Casper . K. . 19398 4 S. Schoeller . J. . 19398 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19398 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'B. malayi' . 19398 'Brugia malayi' . 19398 DAF-16 . 19398 'filarial parasites' . 19398 forkhead . 19398 FOXO . 19398 FOXO3a . 19398 'insulin/IGF-1 signaling' . 19398 'winged helix' . 19398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 19398 '15N chemical shifts' 109 19398 '1H chemical shifts' 687 19398 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 . . 2013-09-10 2013-07-30 original author . 19398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MBF 'BMRB Entry Tracking System' 19398 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19398 _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 the forkhead domain of Brugia malayi DAF-16a' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.Entry_ID _Citation_author.Citation_ID 1 C. Veldkamp . T. . 19398 1 2 F. Peterson . C. . 19398 1 3 S. Casper . K. . 19398 1 4 S. Schoeller . J. . 19398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19398 _Assembly.ID 1 _Assembly.Name 'Forkhead DNA binding domain of Brugia malayi DAF-16a' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Forkhead DNA binding domain of Brugia malayi DAF-16a' 1 $Bm-DAF-16a A . yes native no no . . . 19398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bm-DAF-16a _Entity.Sf_category entity _Entity.Sf_framecode Bm-DAF-16a _Entity.Entry_ID 19398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bm-DAF-16a _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 ; NPWGAESYSDLIAKALKSTF DGRMRLNEIYNWFASNVPYF GNRTSQEQSAGWKNSIRHNL SLHSRFMRIQNEGAGKSSWW VINPDAKPGRNPRRQRSATL E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Bm-DAF-16a _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11673.083 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MBF . "Solution Structure Of The Forkhead Domain Of Brugia Malayi Daf-16a" . . . . . 100.00 101 100.00 100.00 5.67e-67 . . . . 19398 1 2 no EMBL CDQ02878 . "Protein BM-DAF-16, isoform a [Brugia malayi]" . . . . . 100.00 731 100.00 100.00 1.28e-64 . . . . 19398 1 3 no GB EJW78700 . "fork head domain-containing protein [Wuchereria bancrofti]" . . . . . 100.00 468 100.00 100.00 3.16e-66 . . . . 19398 1 4 no REF XP_001901487 . "Fork head domain containing protein [Brugia malayi]" . . . . . 100.00 731 100.00 100.00 1.28e-64 . . . . 19398 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 1 342 ASN . 19398 1 2 343 PRO . 19398 1 3 344 TRP . 19398 1 4 345 GLY . 19398 1 5 346 ALA . 19398 1 6 347 GLU . 19398 1 7 348 SER . 19398 1 8 349 TYR . 19398 1 9 350 SER . 19398 1 10 351 ASP . 19398 1 11 352 LEU . 19398 1 12 353 ILE . 19398 1 13 354 ALA . 19398 1 14 355 LYS . 19398 1 15 356 ALA . 19398 1 16 357 LEU . 19398 1 17 358 LYS . 19398 1 18 359 SER . 19398 1 19 360 THR . 19398 1 20 361 PHE . 19398 1 21 362 ASP . 19398 1 22 363 GLY . 19398 1 23 364 ARG . 19398 1 24 365 MET . 19398 1 25 366 ARG . 19398 1 26 367 LEU . 19398 1 27 368 ASN . 19398 1 28 369 GLU . 19398 1 29 370 ILE . 19398 1 30 371 TYR . 19398 1 31 372 ASN . 19398 1 32 373 TRP . 19398 1 33 374 PHE . 19398 1 34 375 ALA . 19398 1 35 376 SER . 19398 1 36 377 ASN . 19398 1 37 378 VAL . 19398 1 38 379 PRO . 19398 1 39 380 TYR . 19398 1 40 381 PHE . 19398 1 41 382 GLY . 19398 1 42 383 ASN . 19398 1 43 384 ARG . 19398 1 44 385 THR . 19398 1 45 386 SER . 19398 1 46 387 GLN . 19398 1 47 388 GLU . 19398 1 48 389 GLN . 19398 1 49 390 SER . 19398 1 50 391 ALA . 19398 1 51 392 GLY . 19398 1 52 393 TRP . 19398 1 53 394 LYS . 19398 1 54 395 ASN . 19398 1 55 396 SER . 19398 1 56 397 ILE . 19398 1 57 398 ARG . 19398 1 58 399 HIS . 19398 1 59 400 ASN . 19398 1 60 401 LEU . 19398 1 61 402 SER . 19398 1 62 403 LEU . 19398 1 63 404 HIS . 19398 1 64 405 SER . 19398 1 65 406 ARG . 19398 1 66 407 PHE . 19398 1 67 408 MET . 19398 1 68 409 ARG . 19398 1 69 410 ILE . 19398 1 70 411 GLN . 19398 1 71 412 ASN . 19398 1 72 413 GLU . 19398 1 73 414 GLY . 19398 1 74 415 ALA . 19398 1 75 416 GLY . 19398 1 76 417 LYS . 19398 1 77 418 SER . 19398 1 78 419 SER . 19398 1 79 420 TRP . 19398 1 80 421 TRP . 19398 1 81 422 VAL . 19398 1 82 423 ILE . 19398 1 83 424 ASN . 19398 1 84 425 PRO . 19398 1 85 426 ASP . 19398 1 86 427 ALA . 19398 1 87 428 LYS . 19398 1 88 429 PRO . 19398 1 89 430 GLY . 19398 1 90 431 ARG . 19398 1 91 432 ASN . 19398 1 92 433 PRO . 19398 1 93 434 ARG . 19398 1 94 435 ARG . 19398 1 95 436 GLN . 19398 1 96 437 ARG . 19398 1 97 438 SER . 19398 1 98 439 ALA . 19398 1 99 440 THR . 19398 1 100 441 LEU . 19398 1 101 442 GLU . 19398 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 19398 1 . PRO 2 2 19398 1 . TRP 3 3 19398 1 . GLY 4 4 19398 1 . ALA 5 5 19398 1 . GLU 6 6 19398 1 . SER 7 7 19398 1 . TYR 8 8 19398 1 . SER 9 9 19398 1 . ASP 10 10 19398 1 . LEU 11 11 19398 1 . ILE 12 12 19398 1 . ALA 13 13 19398 1 . LYS 14 14 19398 1 . ALA 15 15 19398 1 . LEU 16 16 19398 1 . LYS 17 17 19398 1 . SER 18 18 19398 1 . THR 19 19 19398 1 . PHE 20 20 19398 1 . ASP 21 21 19398 1 . GLY 22 22 19398 1 . ARG 23 23 19398 1 . MET 24 24 19398 1 . ARG 25 25 19398 1 . LEU 26 26 19398 1 . ASN 27 27 19398 1 . GLU 28 28 19398 1 . ILE 29 29 19398 1 . TYR 30 30 19398 1 . ASN 31 31 19398 1 . TRP 32 32 19398 1 . PHE 33 33 19398 1 . ALA 34 34 19398 1 . SER 35 35 19398 1 . ASN 36 36 19398 1 . VAL 37 37 19398 1 . PRO 38 38 19398 1 . TYR 39 39 19398 1 . PHE 40 40 19398 1 . GLY 41 41 19398 1 . ASN 42 42 19398 1 . ARG 43 43 19398 1 . THR 44 44 19398 1 . SER 45 45 19398 1 . GLN 46 46 19398 1 . GLU 47 47 19398 1 . GLN 48 48 19398 1 . SER 49 49 19398 1 . ALA 50 50 19398 1 . GLY 51 51 19398 1 . TRP 52 52 19398 1 . LYS 53 53 19398 1 . ASN 54 54 19398 1 . SER 55 55 19398 1 . ILE 56 56 19398 1 . ARG 57 57 19398 1 . HIS 58 58 19398 1 . ASN 59 59 19398 1 . LEU 60 60 19398 1 . SER 61 61 19398 1 . LEU 62 62 19398 1 . HIS 63 63 19398 1 . SER 64 64 19398 1 . ARG 65 65 19398 1 . PHE 66 66 19398 1 . MET 67 67 19398 1 . ARG 68 68 19398 1 . ILE 69 69 19398 1 . GLN 70 70 19398 1 . ASN 71 71 19398 1 . GLU 72 72 19398 1 . GLY 73 73 19398 1 . ALA 74 74 19398 1 . GLY 75 75 19398 1 . LYS 76 76 19398 1 . SER 77 77 19398 1 . SER 78 78 19398 1 . TRP 79 79 19398 1 . TRP 80 80 19398 1 . VAL 81 81 19398 1 . ILE 82 82 19398 1 . ASN 83 83 19398 1 . PRO 84 84 19398 1 . ASP 85 85 19398 1 . ALA 86 86 19398 1 . LYS 87 87 19398 1 . PRO 88 88 19398 1 . GLY 89 89 19398 1 . ARG 90 90 19398 1 . ASN 91 91 19398 1 . PRO 92 92 19398 1 . ARG 93 93 19398 1 . ARG 94 94 19398 1 . GLN 95 95 19398 1 . ARG 96 96 19398 1 . SER 97 97 19398 1 . ALA 98 98 19398 1 . THR 99 99 19398 1 . LEU 100 100 19398 1 . GLU 101 101 19398 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 19398 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bm-DAF-16a . 6279 'not applicable' . 'Brugia malayi' nematodes . . Eukaryota Metazoa Brugia malayi . . . . . . . . . . . . . . . . . . . . . 19398 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 19398 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bm-DAF-16a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30 . . . . . . 19398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 19398 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5mM Bm-DAF-16a-U-15N/13C pH 6.0 20mM sodium phosphate buffer, 50 mM sodium chloride' _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 'Forkhead box DNA binding domain of Brugia malayi DAF-16a' '[U-98% 13C; U-98% 15N]' . . 1 $Bm-DAF-16a . . 0.5 . . mM . . . . 19398 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19398 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 19398 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19398 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19398 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19398 _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' 200 . mM 19398 1 pH 6.0 . pH 19398 1 pressure 1 . atm 19398 1 temperature 298 . K 19398 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 19398 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 19398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19398 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 19398 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 19398 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19398 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19398 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 19398 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19398 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19398 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 19398 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19398 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 19398 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 19398 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19398 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19398 _Software.ID 6 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, R.' . . 19398 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19398 6 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 19398 _Software.ID 7 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 19398 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 19398 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 loop_ _NMR_spectrometer_citation.Citation_ID _NMR_spectrometer_citation.Citation_label _NMR_spectrometer_citation.Entry_ID _NMR_spectrometer_citation.NMR_spectrometer_ID 1 $citations 19398 1 stop_ 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 19398 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . 1 $citations 19398 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 19398 _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_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19398 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19398 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19398 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19398 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19398 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19398 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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_15N-separated_NOESY . . . 19398 1 2 3D_13C-separated_NOESY . . . 19398 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 19398 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 3.811 0.002 . 1 . . . A 342 ASN HA . 19398 1 2 . 1 1 1 1 ASN HB2 H 1 1.417 0.005 . 2 . . . A 342 ASN HB2 . 19398 1 3 . 1 1 1 1 ASN HB3 H 1 0.071 0.006 . 2 . . . A 342 ASN HB3 . 19398 1 4 . 1 1 1 1 ASN HD21 H 1 6.744 0.020 . 2 . . . A 342 ASN HD21 . 19398 1 5 . 1 1 1 1 ASN HD22 H 1 7.105 0.010 . 2 . . . A 342 ASN HD22 . 19398 1 6 . 1 1 1 1 ASN CA C 13 52.549 0.100 . 1 . . . A 342 ASN CA . 19398 1 7 . 1 1 1 1 ASN CB C 13 37.335 0.100 . 1 . . . A 342 ASN CB . 19398 1 8 . 1 1 1 1 ASN ND2 N 15 117.266 0.003 . 1 . . . A 342 ASN ND2 . 19398 1 9 . 1 1 2 2 PRO HA H 1 4.041 0.008 . 1 . . . A 343 PRO HA . 19398 1 10 . 1 1 2 2 PRO HB2 H 1 1.257 0.003 . 2 . . . A 343 PRO HB2 . 19398 1 11 . 1 1 2 2 PRO HB3 H 1 2.236 0.006 . 2 . . . A 343 PRO HB3 . 19398 1 12 . 1 1 2 2 PRO HG2 H 1 1.888 0.003 . 2 . . . A 343 PRO HG2 . 19398 1 13 . 1 1 2 2 PRO HG3 H 1 1.758 0.020 . 2 . . . A 343 PRO HG3 . 19398 1 14 . 1 1 2 2 PRO HD2 H 1 2.717 0.008 . 2 . . . A 343 PRO HD2 . 19398 1 15 . 1 1 2 2 PRO HD3 H 1 3.344 0.002 . 2 . . . A 343 PRO HD3 . 19398 1 16 . 1 1 2 2 PRO C C 13 174.172 0.100 . 1 . . . A 343 PRO C . 19398 1 17 . 1 1 2 2 PRO CA C 13 65.174 0.100 . 1 . . . A 343 PRO CA . 19398 1 18 . 1 1 2 2 PRO CB C 13 32.480 0.100 . 1 . . . A 343 PRO CB . 19398 1 19 . 1 1 2 2 PRO CG C 13 27.624 0.100 . 1 . . . A 343 PRO CG . 19398 1 20 . 1 1 2 2 PRO CD C 13 49.960 0.100 . 1 . . . A 343 PRO CD . 19398 1 21 . 1 1 3 3 TRP H H 1 9.033 0.020 . 1 . . . A 344 TRP H . 19398 1 22 . 1 1 3 3 TRP HA H 1 4.372 0.004 . 1 . . . A 344 TRP HA . 19398 1 23 . 1 1 3 3 TRP HB2 H 1 3.145 0.020 . 2 . . . A 344 TRP HB2 . 19398 1 24 . 1 1 3 3 TRP HB3 H 1 2.291 0.020 . 2 . . . A 344 TRP HB3 . 19398 1 25 . 1 1 3 3 TRP HD1 H 1 6.926 0.010 . 1 . . . A 344 TRP HD1 . 19398 1 26 . 1 1 3 3 TRP HE1 H 1 10.568 0.006 . 1 . . . A 344 TRP HE1 . 19398 1 27 . 1 1 3 3 TRP HE3 H 1 6.507 0.003 . 1 . . . A 344 TRP HE3 . 19398 1 28 . 1 1 3 3 TRP HZ2 H 1 7.015 0.011 . 1 . . . A 344 TRP HZ2 . 19398 1 29 . 1 1 3 3 TRP HZ3 H 1 6.772 0.006 . 1 . . . A 344 TRP HZ3 . 19398 1 30 . 1 1 3 3 TRP HH2 H 1 7.168 0.006 . 1 . . . A 344 TRP HH2 . 19398 1 31 . 1 1 3 3 TRP C C 13 174.887 0.100 . 1 . . . A 344 TRP C . 19398 1 32 . 1 1 3 3 TRP CA C 13 56.991 0.100 . 1 . . . A 344 TRP CA . 19398 1 33 . 1 1 3 3 TRP CB C 13 28.513 0.100 . 1 . . . A 344 TRP CB . 19398 1 34 . 1 1 3 3 TRP CD1 C 13 127.094 0.100 . 1 . . . A 344 TRP CD1 . 19398 1 35 . 1 1 3 3 TRP CE3 C 13 121.691 0.100 . 1 . . . A 344 TRP CE3 . 19398 1 36 . 1 1 3 3 TRP CZ2 C 13 114.871 0.100 . 1 . . . A 344 TRP CZ2 . 19398 1 37 . 1 1 3 3 TRP CZ3 C 13 121.691 0.100 . 1 . . . A 344 TRP CZ3 . 19398 1 38 . 1 1 3 3 TRP CH2 C 13 125.882 0.100 . 1 . . . A 344 TRP CH2 . 19398 1 39 . 1 1 3 3 TRP N N 15 122.425 0.100 . 1 . . . A 344 TRP N . 19398 1 40 . 1 1 3 3 TRP NE1 N 15 133.611 0.100 . 1 . . . A 344 TRP NE1 . 19398 1 41 . 1 1 4 4 GLY H H 1 6.908 0.009 . 1 . . . A 345 GLY H . 19398 1 42 . 1 1 4 4 GLY HA2 H 1 3.650 0.020 . 2 . . . A 345 GLY HA2 . 19398 1 43 . 1 1 4 4 GLY HA3 H 1 4.646 0.005 . 2 . . . A 345 GLY HA3 . 19398 1 44 . 1 1 4 4 GLY C C 13 172.529 0.025 . 1 . . . A 345 GLY C . 19398 1 45 . 1 1 4 4 GLY CA C 13 44.033 0.100 . 1 . . . A 345 GLY CA . 19398 1 46 . 1 1 4 4 GLY N N 15 111.841 0.032 . 1 . . . A 345 GLY N . 19398 1 47 . 1 1 5 5 ALA H H 1 8.381 0.006 . 1 . . . A 346 ALA H . 19398 1 48 . 1 1 5 5 ALA HA H 1 4.039 0.020 . 1 . . . A 346 ALA HA . 19398 1 49 . 1 1 5 5 ALA HB1 H 1 1.368 0.004 . 1 . . . A 346 ALA QB . 19398 1 50 . 1 1 5 5 ALA HB2 H 1 1.368 0.004 . 1 . . . A 346 ALA QB . 19398 1 51 . 1 1 5 5 ALA HB3 H 1 1.368 0.004 . 1 . . . A 346 ALA QB . 19398 1 52 . 1 1 5 5 ALA C C 13 179.149 0.008 . 1 . . . A 346 ALA C . 19398 1 53 . 1 1 5 5 ALA CA C 13 53.734 0.100 . 1 . . . A 346 ALA CA . 19398 1 54 . 1 1 5 5 ALA CB C 13 19.817 0.100 . 1 . . . A 346 ALA CB . 19398 1 55 . 1 1 5 5 ALA N N 15 121.121 0.100 . 1 . . . A 346 ALA N . 19398 1 56 . 1 1 6 6 GLU H H 1 8.740 0.007 . 1 . . . A 347 GLU H . 19398 1 57 . 1 1 6 6 GLU HA H 1 4.317 0.020 . 1 . . . A 347 GLU HA . 19398 1 58 . 1 1 6 6 GLU HB2 H 1 2.148 0.007 . 1 . . . A 347 GLU HB2 . 19398 1 59 . 1 1 6 6 GLU HB3 H 1 2.148 0.007 . 1 . . . A 347 GLU HB3 . 19398 1 60 . 1 1 6 6 GLU HG2 H 1 2.372 0.005 . 1 . . . A 347 GLU HG2 . 19398 1 61 . 1 1 6 6 GLU HG3 H 1 2.372 0.005 . 1 . . . A 347 GLU HG3 . 19398 1 62 . 1 1 6 6 GLU C C 13 176.616 0.009 . 1 . . . A 347 GLU C . 19398 1 63 . 1 1 6 6 GLU CA C 13 58.317 0.100 . 1 . . . A 347 GLU CA . 19398 1 64 . 1 1 6 6 GLU CB C 13 31.133 0.100 . 1 . . . A 347 GLU CB . 19398 1 65 . 1 1 6 6 GLU CG C 13 38.112 0.053 . 1 . . . A 347 GLU CG . 19398 1 66 . 1 1 6 6 GLU N N 15 117.999 0.100 . 1 . . . A 347 GLU N . 19398 1 67 . 1 1 7 7 SER H H 1 9.103 0.009 . 1 . . . A 348 SER H . 19398 1 68 . 1 1 7 7 SER HA H 1 4.779 0.002 . 1 . . . A 348 SER HA . 19398 1 69 . 1 1 7 7 SER HB2 H 1 4.632 0.020 . 2 . . . A 348 SER HB2 . 19398 1 70 . 1 1 7 7 SER HB3 H 1 4.208 0.020 . 2 . . . A 348 SER HB3 . 19398 1 71 . 1 1 7 7 SER C C 13 175.933 0.008 . 1 . . . A 348 SER C . 19398 1 72 . 1 1 7 7 SER CA C 13 57.600 0.100 . 1 . . . A 348 SER CA . 19398 1 73 . 1 1 7 7 SER CB C 13 66.145 0.100 . 1 . . . A 348 SER CB . 19398 1 74 . 1 1 7 7 SER N N 15 118.274 0.100 . 1 . . . A 348 SER N . 19398 1 75 . 1 1 8 8 TYR H H 1 9.172 0.003 . 1 . . . A 349 TYR H . 19398 1 76 . 1 1 8 8 TYR HA H 1 4.141 0.002 . 1 . . . A 349 TYR HA . 19398 1 77 . 1 1 8 8 TYR HB2 H 1 3.045 0.002 . 2 . . . A 349 TYR HB2 . 19398 1 78 . 1 1 8 8 TYR HB3 H 1 2.659 0.020 . 2 . . . A 349 TYR HB3 . 19398 1 79 . 1 1 8 8 TYR HD1 H 1 7.177 0.020 . 1 . . . A 349 TYR HD1 . 19398 1 80 . 1 1 8 8 TYR HD2 H 1 7.177 0.020 . 1 . . . A 349 TYR HD2 . 19398 1 81 . 1 1 8 8 TYR HE1 H 1 6.770 0.005 . 1 . . . A 349 TYR HE1 . 19398 1 82 . 1 1 8 8 TYR HE2 H 1 6.770 0.005 . 1 . . . A 349 TYR HE2 . 19398 1 83 . 1 1 8 8 TYR C C 13 179.191 0.001 . 1 . . . A 349 TYR C . 19398 1 84 . 1 1 8 8 TYR CA C 13 65.365 0.100 . 1 . . . A 349 TYR CA . 19398 1 85 . 1 1 8 8 TYR CB C 13 40.294 0.100 . 1 . . . A 349 TYR CB . 19398 1 86 . 1 1 8 8 TYR CD1 C 13 131.918 0.100 . 1 . . . A 349 TYR CD1 . 19398 1 87 . 1 1 8 8 TYR N N 15 118.026 0.100 . 1 . . . A 349 TYR N . 19398 1 88 . 1 1 9 9 SER H H 1 8.542 0.005 . 1 . . . A 350 SER H . 19398 1 89 . 1 1 9 9 SER HA H 1 3.925 0.020 . 1 . . . A 350 SER HA . 19398 1 90 . 1 1 9 9 SER HB2 H 1 4.232 0.004 . 1 . . . A 350 SER HB2 . 19398 1 91 . 1 1 9 9 SER HB3 H 1 4.232 0.004 . 1 . . . A 350 SER HB3 . 19398 1 92 . 1 1 9 9 SER C C 13 177.172 0.873 . 1 . . . A 350 SER C . 19398 1 93 . 1 1 9 9 SER CA C 13 63.141 0.100 . 1 . . . A 350 SER CA . 19398 1 94 . 1 1 9 9 SER CB C 13 62.908 0.100 . 1 . . . A 350 SER CB . 19398 1 95 . 1 1 9 9 SER N N 15 112.002 0.100 . 1 . . . A 350 SER N . 19398 1 96 . 1 1 10 10 ASP H H 1 8.115 0.020 . 1 . . . A 351 ASP H . 19398 1 97 . 1 1 10 10 ASP HA H 1 4.390 0.002 . 1 . . . A 351 ASP HA . 19398 1 98 . 1 1 10 10 ASP HB2 H 1 3.118 0.004 . 2 . . . A 351 ASP HB2 . 19398 1 99 . 1 1 10 10 ASP HB3 H 1 2.733 0.003 . 2 . . . A 351 ASP HB3 . 19398 1 100 . 1 1 10 10 ASP C C 13 179.798 0.061 . 1 . . . A 351 ASP C . 19398 1 101 . 1 1 10 10 ASP CA C 13 57.647 0.100 . 1 . . . A 351 ASP CA . 19398 1 102 . 1 1 10 10 ASP CB C 13 40.893 0.100 . 1 . . . A 351 ASP CB . 19398 1 103 . 1 1 10 10 ASP N N 15 122.398 0.100 . 1 . . . A 351 ASP N . 19398 1 104 . 1 1 11 11 LEU H H 1 8.079 0.006 . 1 . . . A 352 LEU H . 19398 1 105 . 1 1 11 11 LEU HA H 1 3.855 0.003 . 1 . . . A 352 LEU HA . 19398 1 106 . 1 1 11 11 LEU HB2 H 1 1.924 0.004 . 2 . . . A 352 LEU HB2 . 19398 1 107 . 1 1 11 11 LEU HB3 H 1 0.694 0.020 . 2 . . . A 352 LEU HB3 . 19398 1 108 . 1 1 11 11 LEU HG H 1 1.621 0.020 . 1 . . . A 352 LEU HG . 19398 1 109 . 1 1 11 11 LEU HD11 H 1 0.316 0.003 . 2 . . . A 352 LEU QD1 . 19398 1 110 . 1 1 11 11 LEU HD12 H 1 0.316 0.003 . 2 . . . A 352 LEU QD1 . 19398 1 111 . 1 1 11 11 LEU HD13 H 1 0.316 0.003 . 2 . . . A 352 LEU QD1 . 19398 1 112 . 1 1 11 11 LEU HD21 H 1 0.720 0.020 . 2 . . . A 352 LEU QD2 . 19398 1 113 . 1 1 11 11 LEU HD22 H 1 0.720 0.020 . 2 . . . A 352 LEU QD2 . 19398 1 114 . 1 1 11 11 LEU HD23 H 1 0.720 0.020 . 2 . . . A 352 LEU QD2 . 19398 1 115 . 1 1 11 11 LEU C C 13 177.708 0.021 . 1 . . . A 352 LEU C . 19398 1 116 . 1 1 11 11 LEU CA C 13 57.995 0.100 . 1 . . . A 352 LEU CA . 19398 1 117 . 1 1 11 11 LEU CB C 13 43.408 0.100 . 1 . . . A 352 LEU CB . 19398 1 118 . 1 1 11 11 LEU CG C 13 26.881 0.100 . 1 . . . A 352 LEU CG . 19398 1 119 . 1 1 11 11 LEU CD1 C 13 25.971 0.100 . 1 . . . A 352 LEU CD1 . 19398 1 120 . 1 1 11 11 LEU CD2 C 13 22.788 0.100 . 1 . . . A 352 LEU CD2 . 19398 1 121 . 1 1 11 11 LEU N N 15 121.671 0.100 . 1 . . . A 352 LEU N . 19398 1 122 . 1 1 12 12 ILE H H 1 8.636 0.005 . 1 . . . A 353 ILE H . 19398 1 123 . 1 1 12 12 ILE HA H 1 3.314 0.001 . 1 . . . A 353 ILE HA . 19398 1 124 . 1 1 12 12 ILE HB H 1 1.629 0.001 . 1 . . . A 353 ILE HB . 19398 1 125 . 1 1 12 12 ILE HG12 H 1 2.277 0.020 . 2 . . . A 353 ILE HG12 . 19398 1 126 . 1 1 12 12 ILE HG13 H 1 0.572 0.008 . 2 . . . A 353 ILE HG13 . 19398 1 127 . 1 1 12 12 ILE HG21 H 1 -0.002 0.004 . 1 . . . A 353 ILE QG2 . 19398 1 128 . 1 1 12 12 ILE HG22 H 1 -0.002 0.004 . 1 . . . A 353 ILE QG2 . 19398 1 129 . 1 1 12 12 ILE HG23 H 1 -0.002 0.004 . 1 . . . A 353 ILE QG2 . 19398 1 130 . 1 1 12 12 ILE HD11 H 1 0.557 0.020 . 1 . . . A 353 ILE QD1 . 19398 1 131 . 1 1 12 12 ILE HD12 H 1 0.557 0.020 . 1 . . . A 353 ILE QD1 . 19398 1 132 . 1 1 12 12 ILE HD13 H 1 0.557 0.020 . 1 . . . A 353 ILE QD1 . 19398 1 133 . 1 1 12 12 ILE C C 13 177.400 0.005 . 1 . . . A 353 ILE C . 19398 1 134 . 1 1 12 12 ILE CA C 13 66.196 0.100 . 1 . . . A 353 ILE CA . 19398 1 135 . 1 1 12 12 ILE CB C 13 38.139 0.100 . 1 . . . A 353 ILE CB . 19398 1 136 . 1 1 12 12 ILE CG1 C 13 29.836 0.100 . 1 . . . A 353 ILE CG1 . 19398 1 137 . 1 1 12 12 ILE CG2 C 13 18.696 0.100 . 1 . . . A 353 ILE CG2 . 19398 1 138 . 1 1 12 12 ILE CD1 C 13 15.400 0.100 . 1 . . . A 353 ILE CD1 . 19398 1 139 . 1 1 12 12 ILE N N 15 119.449 0.100 . 1 . . . A 353 ILE N . 19398 1 140 . 1 1 13 13 ALA H H 1 8.071 0.006 . 1 . . . A 354 ALA H . 19398 1 141 . 1 1 13 13 ALA HA H 1 4.019 0.004 . 1 . . . A 354 ALA HA . 19398 1 142 . 1 1 13 13 ALA HB1 H 1 1.562 0.003 . 1 . . . A 354 ALA QB . 19398 1 143 . 1 1 13 13 ALA HB2 H 1 1.562 0.003 . 1 . . . A 354 ALA QB . 19398 1 144 . 1 1 13 13 ALA HB3 H 1 1.562 0.003 . 1 . . . A 354 ALA QB . 19398 1 145 . 1 1 13 13 ALA C C 13 179.081 0.008 . 1 . . . A 354 ALA C . 19398 1 146 . 1 1 13 13 ALA CA C 13 56.039 0.100 . 1 . . . A 354 ALA CA . 19398 1 147 . 1 1 13 13 ALA CB C 13 17.961 0.100 . 1 . . . A 354 ALA CB . 19398 1 148 . 1 1 13 13 ALA N N 15 119.386 0.100 . 1 . . . A 354 ALA N . 19398 1 149 . 1 1 14 14 LYS H H 1 7.467 0.007 . 1 . . . A 355 LYS H . 19398 1 150 . 1 1 14 14 LYS HA H 1 3.622 0.003 . 1 . . . A 355 LYS HA . 19398 1 151 . 1 1 14 14 LYS HB2 H 1 1.660 0.001 . 1 . . . A 355 LYS HB2 . 19398 1 152 . 1 1 14 14 LYS HB3 H 1 1.660 0.001 . 1 . . . A 355 LYS HB3 . 19398 1 153 . 1 1 14 14 LYS HG2 H 1 1.589 0.020 . 2 . . . A 355 LYS HG2 . 19398 1 154 . 1 1 14 14 LYS HG3 H 1 1.369 0.020 . 2 . . . A 355 LYS HG3 . 19398 1 155 . 1 1 14 14 LYS HD2 H 1 1.782 0.020 . 2 . . . A 355 LYS HD2 . 19398 1 156 . 1 1 14 14 LYS HD3 H 1 1.721 0.006 . 2 . . . A 355 LYS HD3 . 19398 1 157 . 1 1 14 14 LYS HE2 H 1 3.010 0.020 . 1 . . . A 355 LYS HE2 . 19398 1 158 . 1 1 14 14 LYS HE3 H 1 3.010 0.020 . 1 . . . A 355 LYS HE3 . 19398 1 159 . 1 1 14 14 LYS C C 13 178.484 0.006 . 1 . . . A 355 LYS C . 19398 1 160 . 1 1 14 14 LYS CA C 13 60.220 0.100 . 1 . . . A 355 LYS CA . 19398 1 161 . 1 1 14 14 LYS CB C 13 33.049 0.100 . 1 . . . A 355 LYS CB . 19398 1 162 . 1 1 14 14 LYS CG C 13 26.045 0.039 . 1 . . . A 355 LYS CG . 19398 1 163 . 1 1 14 14 LYS CD C 13 30.518 0.100 . 1 . . . A 355 LYS CD . 19398 1 164 . 1 1 14 14 LYS CE C 13 42.191 0.100 . 1 . . . A 355 LYS CE . 19398 1 165 . 1 1 14 14 LYS N N 15 118.475 0.100 . 1 . . . A 355 LYS N . 19398 1 166 . 1 1 15 15 ALA H H 1 7.394 0.002 . 1 . . . A 356 ALA H . 19398 1 167 . 1 1 15 15 ALA HA H 1 1.794 0.020 . 1 . . . A 356 ALA HA . 19398 1 168 . 1 1 15 15 ALA HB1 H 1 0.836 0.020 . 1 . . . A 356 ALA QB . 19398 1 169 . 1 1 15 15 ALA HB2 H 1 0.836 0.020 . 1 . . . A 356 ALA QB . 19398 1 170 . 1 1 15 15 ALA HB3 H 1 0.836 0.020 . 1 . . . A 356 ALA QB . 19398 1 171 . 1 1 15 15 ALA C C 13 181.060 0.004 . 1 . . . A 356 ALA C . 19398 1 172 . 1 1 15 15 ALA CA C 13 54.431 0.100 . 1 . . . A 356 ALA CA . 19398 1 173 . 1 1 15 15 ALA CB C 13 17.520 0.051 . 1 . . . A 356 ALA CB . 19398 1 174 . 1 1 15 15 ALA N N 15 123.300 0.100 . 1 . . . A 356 ALA N . 19398 1 175 . 1 1 16 16 LEU H H 1 8.157 0.002 . 1 . . . A 357 LEU H . 19398 1 176 . 1 1 16 16 LEU HA H 1 3.763 0.020 . 1 . . . A 357 LEU HA . 19398 1 177 . 1 1 16 16 LEU HB2 H 1 1.784 0.020 . 2 . . . A 357 LEU HB2 . 19398 1 178 . 1 1 16 16 LEU HB3 H 1 1.463 0.020 . 2 . . . A 357 LEU HB3 . 19398 1 179 . 1 1 16 16 LEU HG H 1 0.812 0.001 . 1 . . . A 357 LEU HG . 19398 1 180 . 1 1 16 16 LEU HD11 H 1 0.819 0.007 . 1 . . . A 357 LEU QD1 . 19398 1 181 . 1 1 16 16 LEU HD12 H 1 0.819 0.007 . 1 . . . A 357 LEU QD1 . 19398 1 182 . 1 1 16 16 LEU HD13 H 1 0.819 0.007 . 1 . . . A 357 LEU QD1 . 19398 1 183 . 1 1 16 16 LEU HD21 H 1 0.819 0.007 . 1 . . . A 357 LEU QD2 . 19398 1 184 . 1 1 16 16 LEU HD22 H 1 0.819 0.007 . 1 . . . A 357 LEU QD2 . 19398 1 185 . 1 1 16 16 LEU HD23 H 1 0.819 0.007 . 1 . . . A 357 LEU QD2 . 19398 1 186 . 1 1 16 16 LEU C C 13 179.849 0.024 . 1 . . . A 357 LEU C . 19398 1 187 . 1 1 16 16 LEU CA C 13 58.933 0.100 . 1 . . . A 357 LEU CA . 19398 1 188 . 1 1 16 16 LEU CB C 13 41.432 0.100 . 1 . . . A 357 LEU CB . 19398 1 189 . 1 1 16 16 LEU CG C 13 26.653 0.100 . 1 . . . A 357 LEU CG . 19398 1 190 . 1 1 16 16 LEU CD1 C 13 23.740 0.100 . 1 . . . A 357 LEU CD1 . 19398 1 191 . 1 1 16 16 LEU CD2 C 13 24.380 0.100 . 1 . . . A 357 LEU CD2 . 19398 1 192 . 1 1 16 16 LEU N N 15 119.048 0.100 . 1 . . . A 357 LEU N . 19398 1 193 . 1 1 17 17 LYS H H 1 8.030 0.007 . 1 . . . A 358 LYS H . 19398 1 194 . 1 1 17 17 LYS HA H 1 4.202 0.020 . 1 . . . A 358 LYS HA . 19398 1 195 . 1 1 17 17 LYS HB2 H 1 1.919 0.001 . 2 . . . A 358 LYS HB2 . 19398 1 196 . 1 1 17 17 LYS HB3 H 1 1.815 0.020 . 2 . . . A 358 LYS HB3 . 19398 1 197 . 1 1 17 17 LYS HG2 H 1 1.653 0.010 . 2 . . . A 358 LYS HG2 . 19398 1 198 . 1 1 17 17 LYS HG3 H 1 1.506 0.001 . 2 . . . A 358 LYS HG3 . 19398 1 199 . 1 1 17 17 LYS HD2 H 1 1.637 0.020 . 1 . . . A 358 LYS HD2 . 19398 1 200 . 1 1 17 17 LYS HD3 H 1 1.637 0.020 . 1 . . . A 358 LYS HD3 . 19398 1 201 . 1 1 17 17 LYS HE2 H 1 2.930 0.001 . 1 . . . A 358 LYS HE2 . 19398 1 202 . 1 1 17 17 LYS HE3 H 1 2.930 0.001 . 1 . . . A 358 LYS HE3 . 19398 1 203 . 1 1 17 17 LYS C C 13 177.102 0.003 . 1 . . . A 358 LYS C . 19398 1 204 . 1 1 17 17 LYS CA C 13 57.995 0.100 . 1 . . . A 358 LYS CA . 19398 1 205 . 1 1 17 17 LYS CB C 13 32.451 0.100 . 1 . . . A 358 LYS CB . 19398 1 206 . 1 1 17 17 LYS CG C 13 26.006 0.100 . 1 . . . A 358 LYS CG . 19398 1 207 . 1 1 17 17 LYS CD C 13 29.722 0.100 . 1 . . . A 358 LYS CD . 19398 1 208 . 1 1 17 17 LYS CE C 13 42.191 0.100 . 1 . . . A 358 LYS CE . 19398 1 209 . 1 1 17 17 LYS N N 15 117.047 0.100 . 1 . . . A 358 LYS N . 19398 1 210 . 1 1 18 18 SER H H 1 7.677 0.005 . 1 . . . A 359 SER H . 19398 1 211 . 1 1 18 18 SER HA H 1 4.404 0.020 . 1 . . . A 359 SER HA . 19398 1 212 . 1 1 18 18 SER HB2 H 1 4.281 0.020 . 2 . . . A 359 SER HB2 . 19398 1 213 . 1 1 18 18 SER HB3 H 1 4.088 0.001 . 2 . . . A 359 SER HB3 . 19398 1 214 . 1 1 18 18 SER C C 13 174.525 0.004 . 1 . . . A 359 SER C . 19398 1 215 . 1 1 18 18 SER CA C 13 60.318 0.100 . 1 . . . A 359 SER CA . 19398 1 216 . 1 1 18 18 SER CB C 13 64.125 0.100 . 1 . . . A 359 SER CB . 19398 1 217 . 1 1 18 18 SER N N 15 114.984 0.100 . 1 . . . A 359 SER N . 19398 1 218 . 1 1 19 19 THR H H 1 7.314 0.005 . 1 . . . A 360 THR H . 19398 1 219 . 1 1 19 19 THR HA H 1 4.799 0.020 . 1 . . . A 360 THR HA . 19398 1 220 . 1 1 19 19 THR HB H 1 4.578 0.020 . 1 . . . A 360 THR HB . 19398 1 221 . 1 1 19 19 THR HG21 H 1 1.450 0.004 . 1 . . . A 360 THR QG2 . 19398 1 222 . 1 1 19 19 THR HG22 H 1 1.450 0.004 . 1 . . . A 360 THR QG2 . 19398 1 223 . 1 1 19 19 THR HG23 H 1 1.450 0.004 . 1 . . . A 360 THR QG2 . 19398 1 224 . 1 1 19 19 THR C C 13 175.953 0.047 . 1 . . . A 360 THR C . 19398 1 225 . 1 1 19 19 THR CA C 13 60.587 0.100 . 1 . . . A 360 THR CA . 19398 1 226 . 1 1 19 19 THR CB C 13 72.208 0.100 . 1 . . . A 360 THR CB . 19398 1 227 . 1 1 19 19 THR CG2 C 13 23.243 0.100 . 1 . . . A 360 THR CG2 . 19398 1 228 . 1 1 19 19 THR N N 15 112.795 0.100 . 1 . . . A 360 THR N . 19398 1 229 . 1 1 20 20 PHE H H 1 8.885 0.006 . 1 . . . A 361 PHE H . 19398 1 230 . 1 1 20 20 PHE HA H 1 4.439 0.020 . 1 . . . A 361 PHE HA . 19398 1 231 . 1 1 20 20 PHE HB2 H 1 3.277 0.020 . 2 . . . A 361 PHE HB2 . 19398 1 232 . 1 1 20 20 PHE HB3 H 1 3.156 0.020 . 2 . . . A 361 PHE HB3 . 19398 1 233 . 1 1 20 20 PHE HD1 H 1 7.323 0.007 . 1 . . . A 361 PHE HD1 . 19398 1 234 . 1 1 20 20 PHE HD2 H 1 7.323 0.007 . 1 . . . A 361 PHE HD2 . 19398 1 235 . 1 1 20 20 PHE HE1 H 1 7.011 0.007 . 1 . . . A 361 PHE HE1 . 19398 1 236 . 1 1 20 20 PHE HE2 H 1 7.011 0.007 . 1 . . . A 361 PHE HE2 . 19398 1 237 . 1 1 20 20 PHE HZ H 1 7.330 0.020 . 1 . . . A 361 PHE HZ . 19398 1 238 . 1 1 20 20 PHE C C 13 176.895 0.100 . 1 . . . A 361 PHE C . 19398 1 239 . 1 1 20 20 PHE CA C 13 60.533 0.100 . 1 . . . A 361 PHE CA . 19398 1 240 . 1 1 20 20 PHE CB C 13 38.977 0.100 . 1 . . . A 361 PHE CB . 19398 1 241 . 1 1 20 20 PHE CD2 C 13 132.897 0.100 . 1 . . . A 361 PHE CD2 . 19398 1 242 . 1 1 20 20 PHE CE2 C 13 130.764 0.100 . 1 . . . A 361 PHE CE2 . 19398 1 243 . 1 1 20 20 PHE N N 15 121.665 0.100 . 1 . . . A 361 PHE N . 19398 1 244 . 1 1 21 21 ASP H H 1 8.132 0.006 . 1 . . . A 362 ASP H . 19398 1 245 . 1 1 21 21 ASP HA H 1 4.477 0.020 . 1 . . . A 362 ASP HA . 19398 1 246 . 1 1 21 21 ASP HB2 H 1 2.643 0.020 . 2 . . . A 362 ASP HB2 . 19398 1 247 . 1 1 21 21 ASP HB3 H 1 2.198 0.020 . 2 . . . A 362 ASP HB3 . 19398 1 248 . 1 1 21 21 ASP C C 13 177.384 0.422 . 1 . . . A 362 ASP C . 19398 1 249 . 1 1 21 21 ASP CA C 13 52.796 0.100 . 1 . . . A 362 ASP CA . 19398 1 250 . 1 1 21 21 ASP CB C 13 40.833 0.100 . 1 . . . A 362 ASP CB . 19398 1 251 . 1 1 21 21 ASP N N 15 115.767 0.117 . 1 . . . A 362 ASP N . 19398 1 252 . 1 1 22 22 GLY H H 1 7.823 0.007 . 1 . . . A 363 GLY H . 19398 1 253 . 1 1 22 22 GLY HA2 H 1 3.880 0.020 . 1 . . . A 363 GLY HA2 . 19398 1 254 . 1 1 22 22 GLY HA3 H 1 3.880 0.020 . 1 . . . A 363 GLY HA3 . 19398 1 255 . 1 1 22 22 GLY C C 13 173.237 0.001 . 1 . . . A 363 GLY C . 19398 1 256 . 1 1 22 22 GLY CA C 13 46.605 0.100 . 1 . . . A 363 GLY CA . 19398 1 257 . 1 1 22 22 GLY N N 15 110.670 0.100 . 1 . . . A 363 GLY N . 19398 1 258 . 1 1 23 23 ARG H H 1 7.269 0.007 . 1 . . . A 364 ARG H . 19398 1 259 . 1 1 23 23 ARG HA H 1 5.625 0.009 . 1 . . . A 364 ARG HA . 19398 1 260 . 1 1 23 23 ARG HB2 H 1 1.477 0.002 . 1 . . . A 364 ARG HB2 . 19398 1 261 . 1 1 23 23 ARG HB3 H 1 1.477 0.002 . 1 . . . A 364 ARG HB3 . 19398 1 262 . 1 1 23 23 ARG HG2 H 1 1.170 0.020 . 1 . . . A 364 ARG HG2 . 19398 1 263 . 1 1 23 23 ARG HG3 H 1 1.170 0.020 . 1 . . . A 364 ARG HG3 . 19398 1 264 . 1 1 23 23 ARG HD2 H 1 2.209 0.020 . 2 . . . A 364 ARG HD2 . 19398 1 265 . 1 1 23 23 ARG HD3 H 1 2.089 0.020 . 2 . . . A 364 ARG HD3 . 19398 1 266 . 1 1 23 23 ARG HE H 1 6.419 0.020 . 1 . . . A 364 ARG HE . 19398 1 267 . 1 1 23 23 ARG C C 13 175.916 0.009 . 1 . . . A 364 ARG C . 19398 1 268 . 1 1 23 23 ARG CA C 13 53.868 0.100 . 1 . . . A 364 ARG CA . 19398 1 269 . 1 1 23 23 ARG CB C 13 34.307 0.100 . 1 . . . A 364 ARG CB . 19398 1 270 . 1 1 23 23 ARG CG C 13 25.971 0.100 . 1 . . . A 364 ARG CG . 19398 1 271 . 1 1 23 23 ARG CD C 13 43.932 0.100 . 1 . . . A 364 ARG CD . 19398 1 272 . 1 1 23 23 ARG N N 15 114.890 0.100 . 1 . . . A 364 ARG N . 19398 1 273 . 1 1 23 23 ARG NE N 15 84.124 0.100 . 1 . . . A 364 ARG NE . 19398 1 274 . 1 1 24 24 MET H H 1 8.714 0.009 . 1 . . . A 365 MET H . 19398 1 275 . 1 1 24 24 MET HA H 1 5.059 0.020 . 1 . . . A 365 MET HA . 19398 1 276 . 1 1 24 24 MET HB2 H 1 2.416 0.005 . 2 . . . A 365 MET HB2 . 19398 1 277 . 1 1 24 24 MET HB3 H 1 1.642 0.020 . 2 . . . A 365 MET HB3 . 19398 1 278 . 1 1 24 24 MET HG2 H 1 2.829 0.020 . 2 . . . A 365 MET HG2 . 19398 1 279 . 1 1 24 24 MET HG3 H 1 2.636 0.020 . 2 . . . A 365 MET HG3 . 19398 1 280 . 1 1 24 24 MET HE1 H 1 1.982 0.002 . 1 . . . A 365 MET QE . 19398 1 281 . 1 1 24 24 MET HE2 H 1 1.982 0.002 . 1 . . . A 365 MET QE . 19398 1 282 . 1 1 24 24 MET HE3 H 1 1.982 0.002 . 1 . . . A 365 MET QE . 19398 1 283 . 1 1 24 24 MET C C 13 176.445 0.215 . 1 . . . A 365 MET C . 19398 1 284 . 1 1 24 24 MET CA C 13 56.977 0.100 . 1 . . . A 365 MET CA . 19398 1 285 . 1 1 24 24 MET CB C 13 40.577 0.077 . 1 . . . A 365 MET CB . 19398 1 286 . 1 1 24 24 MET CG C 13 36.688 0.100 . 1 . . . A 365 MET CG . 19398 1 287 . 1 1 24 24 MET CE C 13 19.532 0.100 . 1 . . . A 365 MET CE . 19398 1 288 . 1 1 24 24 MET N N 15 118.995 0.100 . 1 . . . A 365 MET N . 19398 1 289 . 1 1 25 25 ARG H H 1 9.010 0.009 . 1 . . . A 366 ARG H . 19398 1 290 . 1 1 25 25 ARG HA H 1 4.769 0.002 . 1 . . . A 366 ARG HA . 19398 1 291 . 1 1 25 25 ARG HB2 H 1 1.972 0.020 . 2 . . . A 366 ARG HB2 . 19398 1 292 . 1 1 25 25 ARG HB3 H 1 1.537 0.002 . 2 . . . A 366 ARG HB3 . 19398 1 293 . 1 1 25 25 ARG HG2 H 1 1.038 0.020 . 1 . . . A 366 ARG HG2 . 19398 1 294 . 1 1 25 25 ARG HG3 H 1 1.038 0.020 . 1 . . . A 366 ARG HG3 . 19398 1 295 . 1 1 25 25 ARG HD2 H 1 2.812 0.020 . 2 . . . A 366 ARG HD2 . 19398 1 296 . 1 1 25 25 ARG HD3 H 1 2.658 0.020 . 2 . . . A 366 ARG HD3 . 19398 1 297 . 1 1 25 25 ARG C C 13 178.544 0.014 . 1 . . . A 366 ARG C . 19398 1 298 . 1 1 25 25 ARG CA C 13 55.396 0.100 . 1 . . . A 366 ARG CA . 19398 1 299 . 1 1 25 25 ARG CB C 13 31.672 0.100 . 1 . . . A 366 ARG CB . 19398 1 300 . 1 1 25 25 ARG CG C 13 27.563 0.100 . 1 . . . A 366 ARG CG . 19398 1 301 . 1 1 25 25 ARG CD C 13 43.932 0.100 . 1 . . . A 366 ARG CD . 19398 1 302 . 1 1 25 25 ARG N N 15 121.877 0.100 . 1 . . . A 366 ARG N . 19398 1 303 . 1 1 26 26 LEU H H 1 9.188 0.009 . 1 . . . A 367 LEU H . 19398 1 304 . 1 1 26 26 LEU HA H 1 3.578 0.020 . 1 . . . A 367 LEU HA . 19398 1 305 . 1 1 26 26 LEU HB2 H 1 1.536 0.020 . 1 . . . A 367 LEU HB2 . 19398 1 306 . 1 1 26 26 LEU HB3 H 1 1.536 0.020 . 1 . . . A 367 LEU HB3 . 19398 1 307 . 1 1 26 26 LEU HG H 1 0.898 0.020 . 1 . . . A 367 LEU HG . 19398 1 308 . 1 1 26 26 LEU HD11 H 1 0.791 0.020 . 2 . . . A 367 LEU QD1 . 19398 1 309 . 1 1 26 26 LEU HD12 H 1 0.791 0.020 . 2 . . . A 367 LEU QD1 . 19398 1 310 . 1 1 26 26 LEU HD13 H 1 0.791 0.020 . 2 . . . A 367 LEU QD1 . 19398 1 311 . 1 1 26 26 LEU HD21 H 1 0.468 0.005 . 2 . . . A 367 LEU QD2 . 19398 1 312 . 1 1 26 26 LEU HD22 H 1 0.468 0.005 . 2 . . . A 367 LEU QD2 . 19398 1 313 . 1 1 26 26 LEU HD23 H 1 0.468 0.005 . 2 . . . A 367 LEU QD2 . 19398 1 314 . 1 1 26 26 LEU C C 13 177.691 0.005 . 1 . . . A 367 LEU C . 19398 1 315 . 1 1 26 26 LEU CA C 13 59.229 0.100 . 1 . . . A 367 LEU CA . 19398 1 316 . 1 1 26 26 LEU CB C 13 41.867 0.100 . 1 . . . A 367 LEU CB . 19398 1 317 . 1 1 26 26 LEU CG C 13 26.653 0.100 . 1 . . . A 367 LEU CG . 19398 1 318 . 1 1 26 26 LEU CD1 C 13 25.682 0.100 . 1 . . . A 367 LEU CD1 . 19398 1 319 . 1 1 26 26 LEU CD2 C 13 24.039 0.100 . 1 . . . A 367 LEU CD2 . 19398 1 320 . 1 1 26 26 LEU N N 15 123.889 0.100 . 1 . . . A 367 LEU N . 19398 1 321 . 1 1 27 27 ASN H H 1 8.495 0.006 . 1 . . . A 368 ASN H . 19398 1 322 . 1 1 27 27 ASN HA H 1 4.139 0.020 . 1 . . . A 368 ASN HA . 19398 1 323 . 1 1 27 27 ASN HB2 H 1 2.744 0.001 . 1 . . . A 368 ASN HB2 . 19398 1 324 . 1 1 27 27 ASN HB3 H 1 2.744 0.001 . 1 . . . A 368 ASN HB3 . 19398 1 325 . 1 1 27 27 ASN HD21 H 1 7.660 0.020 . 2 . . . A 368 ASN HD21 . 19398 1 326 . 1 1 27 27 ASN HD22 H 1 6.968 0.020 . 2 . . . A 368 ASN HD22 . 19398 1 327 . 1 1 27 27 ASN C C 13 177.997 0.014 . 1 . . . A 368 ASN C . 19398 1 328 . 1 1 27 27 ASN CA C 13 56.656 0.100 . 1 . . . A 368 ASN CA . 19398 1 329 . 1 1 27 27 ASN CB C 13 38.019 0.100 . 1 . . . A 368 ASN CB . 19398 1 330 . 1 1 27 27 ASN N N 15 112.003 0.100 . 1 . . . A 368 ASN N . 19398 1 331 . 1 1 27 27 ASN ND2 N 15 113.275 0.122 . 1 . . . A 368 ASN ND2 . 19398 1 332 . 1 1 28 28 GLU H H 1 7.138 0.007 . 1 . . . A 369 GLU H . 19398 1 333 . 1 1 28 28 GLU HA H 1 4.217 0.001 . 1 . . . A 369 GLU HA . 19398 1 334 . 1 1 28 28 GLU HB2 H 1 2.637 0.020 . 2 . . . A 369 GLU HB2 . 19398 1 335 . 1 1 28 28 GLU HB3 H 1 2.228 0.002 . 2 . . . A 369 GLU HB3 . 19398 1 336 . 1 1 28 28 GLU HG2 H 1 2.489 0.001 . 2 . . . A 369 GLU HG2 . 19398 1 337 . 1 1 28 28 GLU HG3 H 1 2.365 0.020 . 2 . . . A 369 GLU HG3 . 19398 1 338 . 1 1 28 28 GLU C C 13 179.542 0.008 . 1 . . . A 369 GLU C . 19398 1 339 . 1 1 28 28 GLU CA C 13 59.243 0.013 . 1 . . . A 369 GLU CA . 19398 1 340 . 1 1 28 28 GLU CB C 13 29.696 0.100 . 1 . . . A 369 GLU CB . 19398 1 341 . 1 1 28 28 GLU CG C 13 37.992 0.037 . 1 . . . A 369 GLU CG . 19398 1 342 . 1 1 28 28 GLU N N 15 118.127 0.100 . 1 . . . A 369 GLU N . 19398 1 343 . 1 1 29 29 ILE H H 1 7.828 0.006 . 1 . . . A 370 ILE H . 19398 1 344 . 1 1 29 29 ILE HA H 1 3.856 0.001 . 1 . . . A 370 ILE HA . 19398 1 345 . 1 1 29 29 ILE HB H 1 1.886 0.020 . 1 . . . A 370 ILE HB . 19398 1 346 . 1 1 29 29 ILE HG12 H 1 0.746 0.020 . 2 . . . A 370 ILE HG12 . 19398 1 347 . 1 1 29 29 ILE HG13 H 1 1.791 0.020 . 2 . . . A 370 ILE HG13 . 19398 1 348 . 1 1 29 29 ILE HG21 H 1 0.835 0.004 . 1 . . . A 370 ILE QG2 . 19398 1 349 . 1 1 29 29 ILE HG22 H 1 0.835 0.004 . 1 . . . A 370 ILE QG2 . 19398 1 350 . 1 1 29 29 ILE HG23 H 1 0.835 0.004 . 1 . . . A 370 ILE QG2 . 19398 1 351 . 1 1 29 29 ILE HD11 H 1 0.457 0.004 . 1 . . . A 370 ILE QD1 . 19398 1 352 . 1 1 29 29 ILE HD12 H 1 0.457 0.004 . 1 . . . A 370 ILE QD1 . 19398 1 353 . 1 1 29 29 ILE HD13 H 1 0.457 0.004 . 1 . . . A 370 ILE QD1 . 19398 1 354 . 1 1 29 29 ILE C C 13 179.098 0.009 . 1 . . . A 370 ILE C . 19398 1 355 . 1 1 29 29 ILE CA C 13 66.383 0.100 . 1 . . . A 370 ILE CA . 19398 1 356 . 1 1 29 29 ILE CB C 13 38.318 0.100 . 1 . . . A 370 ILE CB . 19398 1 357 . 1 1 29 29 ILE CG1 C 13 29.566 0.100 . 1 . . . A 370 ILE CG1 . 19398 1 358 . 1 1 29 29 ILE CG2 C 13 18.884 0.100 . 1 . . . A 370 ILE CG2 . 19398 1 359 . 1 1 29 29 ILE CD1 C 13 14.029 0.100 . 1 . . . A 370 ILE CD1 . 19398 1 360 . 1 1 29 29 ILE N N 15 124.298 0.100 . 1 . . . A 370 ILE N . 19398 1 361 . 1 1 30 30 TYR H H 1 7.977 0.003 . 1 . . . A 371 TYR H . 19398 1 362 . 1 1 30 30 TYR HA H 1 4.594 0.003 . 1 . . . A 371 TYR HA . 19398 1 363 . 1 1 30 30 TYR HB2 H 1 3.447 0.001 . 2 . . . A 371 TYR HB2 . 19398 1 364 . 1 1 30 30 TYR HB3 H 1 3.224 0.005 . 2 . . . A 371 TYR HB3 . 19398 1 365 . 1 1 30 30 TYR HD1 H 1 6.920 0.010 . 1 . . . A 371 TYR HD1 . 19398 1 366 . 1 1 30 30 TYR HD2 H 1 6.920 0.010 . 1 . . . A 371 TYR HD2 . 19398 1 367 . 1 1 30 30 TYR HE1 H 1 6.630 0.009 . 1 . . . A 371 TYR HE1 . 19398 1 368 . 1 1 30 30 TYR HE2 H 1 6.630 0.009 . 1 . . . A 371 TYR HE2 . 19398 1 369 . 1 1 30 30 TYR C C 13 178.123 0.916 . 1 . . . A 371 TYR C . 19398 1 370 . 1 1 30 30 TYR CA C 13 58.344 0.100 . 1 . . . A 371 TYR CA . 19398 1 371 . 1 1 30 30 TYR CB C 13 36.882 0.100 . 1 . . . A 371 TYR CB . 19398 1 372 . 1 1 30 30 TYR CD1 C 13 130.892 0.100 . 1 . . . A 371 TYR CD1 . 19398 1 373 . 1 1 30 30 TYR CE1 C 13 118.232 0.100 . 1 . . . A 371 TYR CE1 . 19398 1 374 . 1 1 30 30 TYR N N 15 117.604 0.010 . 1 . . . A 371 TYR N . 19398 1 375 . 1 1 31 31 ASN H H 1 8.144 0.020 . 1 . . . A 372 ASN H . 19398 1 376 . 1 1 31 31 ASN HA H 1 4.621 0.001 . 1 . . . A 372 ASN HA . 19398 1 377 . 1 1 31 31 ASN HB2 H 1 3.010 0.006 . 1 . . . A 372 ASN HB2 . 19398 1 378 . 1 1 31 31 ASN HB3 H 1 3.010 0.006 . 1 . . . A 372 ASN HB3 . 19398 1 379 . 1 1 31 31 ASN HD21 H 1 7.866 0.020 . 2 . . . A 372 ASN HD21 . 19398 1 380 . 1 1 31 31 ASN HD22 H 1 6.940 0.020 . 2 . . . A 372 ASN HD22 . 19398 1 381 . 1 1 31 31 ASN C C 13 177.792 0.021 . 1 . . . A 372 ASN C . 19398 1 382 . 1 1 31 31 ASN CA C 13 56.306 0.100 . 1 . . . A 372 ASN CA . 19398 1 383 . 1 1 31 31 ASN CB C 13 38.618 0.100 . 1 . . . A 372 ASN CB . 19398 1 384 . 1 1 31 31 ASN N N 15 115.807 0.120 . 1 . . . A 372 ASN N . 19398 1 385 . 1 1 31 31 ASN ND2 N 15 112.175 0.002 . 1 . . . A 372 ASN ND2 . 19398 1 386 . 1 1 32 32 TRP H H 1 8.656 0.006 . 1 . . . A 373 TRP H . 19398 1 387 . 1 1 32 32 TRP HA H 1 4.005 0.020 . 1 . . . A 373 TRP HA . 19398 1 388 . 1 1 32 32 TRP HB2 H 1 3.755 0.001 . 2 . . . A 373 TRP HB2 . 19398 1 389 . 1 1 32 32 TRP HB3 H 1 3.341 0.005 . 2 . . . A 373 TRP HB3 . 19398 1 390 . 1 1 32 32 TRP HD1 H 1 7.217 0.020 . 1 . . . A 373 TRP HD1 . 19398 1 391 . 1 1 32 32 TRP HE1 H 1 9.961 0.020 . 1 . . . A 373 TRP HE1 . 19398 1 392 . 1 1 32 32 TRP HE3 H 1 7.071 0.005 . 1 . . . A 373 TRP HE3 . 19398 1 393 . 1 1 32 32 TRP HZ2 H 1 7.162 0.008 . 1 . . . A 373 TRP HZ2 . 19398 1 394 . 1 1 32 32 TRP HZ3 H 1 6.043 0.009 . 1 . . . A 373 TRP HZ3 . 19398 1 395 . 1 1 32 32 TRP HH2 H 1 6.755 0.004 . 1 . . . A 373 TRP HH2 . 19398 1 396 . 1 1 32 32 TRP C C 13 180.002 0.007 . 1 . . . A 373 TRP C . 19398 1 397 . 1 1 32 32 TRP CA C 13 63.283 0.105 . 1 . . . A 373 TRP CA . 19398 1 398 . 1 1 32 32 TRP CB C 13 29.816 0.100 . 1 . . . A 373 TRP CB . 19398 1 399 . 1 1 32 32 TRP CD1 C 13 127.367 0.100 . 1 . . . A 373 TRP CD1 . 19398 1 400 . 1 1 32 32 TRP CE3 C 13 121.433 0.100 . 1 . . . A 373 TRP CE3 . 19398 1 401 . 1 1 32 32 TRP CZ2 C 13 113.937 0.100 . 1 . . . A 373 TRP CZ2 . 19398 1 402 . 1 1 32 32 TRP CZ3 C 13 121.433 0.100 . 1 . . . A 373 TRP CZ3 . 19398 1 403 . 1 1 32 32 TRP CH2 C 13 124.260 0.100 . 1 . . . A 373 TRP CH2 . 19398 1 404 . 1 1 32 32 TRP N N 15 124.052 0.100 . 1 . . . A 373 TRP N . 19398 1 405 . 1 1 32 32 TRP NE1 N 15 130.057 0.100 . 1 . . . A 373 TRP NE1 . 19398 1 406 . 1 1 33 33 PHE H H 1 8.792 0.005 . 1 . . . A 374 PHE H . 19398 1 407 . 1 1 33 33 PHE HA H 1 3.716 0.008 . 1 . . . A 374 PHE HA . 19398 1 408 . 1 1 33 33 PHE HB2 H 1 3.580 0.005 . 2 . . . A 374 PHE HB2 . 19398 1 409 . 1 1 33 33 PHE HB3 H 1 1.823 0.020 . 2 . . . A 374 PHE HB3 . 19398 1 410 . 1 1 33 33 PHE HD1 H 1 6.553 0.004 . 1 . . . A 374 PHE HD1 . 19398 1 411 . 1 1 33 33 PHE HD2 H 1 6.553 0.004 . 1 . . . A 374 PHE HD2 . 19398 1 412 . 1 1 33 33 PHE HE1 H 1 7.200 0.020 . 1 . . . A 374 PHE HE1 . 19398 1 413 . 1 1 33 33 PHE HE2 H 1 7.200 0.020 . 1 . . . A 374 PHE HE2 . 19398 1 414 . 1 1 33 33 PHE C C 13 177.068 0.015 . 1 . . . A 374 PHE C . 19398 1 415 . 1 1 33 33 PHE CA C 13 62.874 0.100 . 1 . . . A 374 PHE CA . 19398 1 416 . 1 1 33 33 PHE CB C 13 40.175 0.100 . 1 . . . A 374 PHE CB . 19398 1 417 . 1 1 33 33 PHE CD2 C 13 131.597 0.100 . 1 . . . A 374 PHE CD2 . 19398 1 418 . 1 1 33 33 PHE CE2 C 13 130.496 0.100 . 1 . . . A 374 PHE CE2 . 19398 1 419 . 1 1 33 33 PHE N N 15 121.997 0.097 . 1 . . . A 374 PHE N . 19398 1 420 . 1 1 34 34 ALA H H 1 7.781 0.005 . 1 . . . A 375 ALA H . 19398 1 421 . 1 1 34 34 ALA HA H 1 3.653 0.020 . 1 . . . A 375 ALA HA . 19398 1 422 . 1 1 34 34 ALA HB1 H 1 1.576 0.003 . 1 . . . A 375 ALA QB . 19398 1 423 . 1 1 34 34 ALA HB2 H 1 1.576 0.003 . 1 . . . A 375 ALA QB . 19398 1 424 . 1 1 34 34 ALA HB3 H 1 1.576 0.003 . 1 . . . A 375 ALA QB . 19398 1 425 . 1 1 34 34 ALA C C 13 178.979 0.010 . 1 . . . A 375 ALA C . 19398 1 426 . 1 1 34 34 ALA CA C 13 54.699 0.100 . 1 . . . A 375 ALA CA . 19398 1 427 . 1 1 34 34 ALA CB C 13 19.338 0.100 . 1 . . . A 375 ALA CB . 19398 1 428 . 1 1 34 34 ALA N N 15 116.174 0.100 . 1 . . . A 375 ALA N . 19398 1 429 . 1 1 35 35 SER H H 1 7.909 0.011 . 1 . . . A 376 SER H . 19398 1 430 . 1 1 35 35 SER HA H 1 4.247 0.020 . 1 . . . A 376 SER HA . 19398 1 431 . 1 1 35 35 SER HB2 H 1 3.714 0.001 . 1 . . . A 376 SER HB2 . 19398 1 432 . 1 1 35 35 SER HB3 H 1 3.714 0.001 . 1 . . . A 376 SER HB3 . 19398 1 433 . 1 1 35 35 SER C C 13 175.310 0.002 . 1 . . . A 376 SER C . 19398 1 434 . 1 1 35 35 SER CA C 13 60.568 0.100 . 1 . . . A 376 SER CA . 19398 1 435 . 1 1 35 35 SER CB C 13 64.694 0.137 . 1 . . . A 376 SER CB . 19398 1 436 . 1 1 35 35 SER N N 15 109.577 0.100 . 1 . . . A 376 SER N . 19398 1 437 . 1 1 36 36 ASN H H 1 7.405 0.007 . 1 . . . A 377 ASN H . 19398 1 438 . 1 1 36 36 ASN HA H 1 4.476 0.001 . 1 . . . A 377 ASN HA . 19398 1 439 . 1 1 36 36 ASN HB2 H 1 0.703 0.001 . 2 . . . A 377 ASN HB2 . 19398 1 440 . 1 1 36 36 ASN HB3 H 1 1.641 0.003 . 2 . . . A 377 ASN HB3 . 19398 1 441 . 1 1 36 36 ASN HD21 H 1 5.986 0.005 . 2 . . . A 377 ASN HD21 . 19398 1 442 . 1 1 36 36 ASN HD22 H 1 6.703 0.005 . 2 . . . A 377 ASN HD22 . 19398 1 443 . 1 1 36 36 ASN C C 13 174.184 0.005 . 1 . . . A 377 ASN C . 19398 1 444 . 1 1 36 36 ASN CA C 13 54.752 0.100 . 1 . . . A 377 ASN CA . 19398 1 445 . 1 1 36 36 ASN CB C 13 40.661 0.082 . 1 . . . A 377 ASN CB . 19398 1 446 . 1 1 36 36 ASN N N 15 114.898 0.100 . 1 . . . A 377 ASN N . 19398 1 447 . 1 1 36 36 ASN ND2 N 15 115.996 0.001 . 1 . . . A 377 ASN ND2 . 19398 1 448 . 1 1 37 37 VAL H H 1 7.633 0.006 . 1 . . . A 378 VAL H . 19398 1 449 . 1 1 37 37 VAL HA H 1 4.640 0.005 . 1 . . . A 378 VAL HA . 19398 1 450 . 1 1 37 37 VAL HB H 1 2.605 0.001 . 1 . . . A 378 VAL HB . 19398 1 451 . 1 1 37 37 VAL HG11 H 1 1.078 0.004 . 2 . . . A 378 VAL QG1 . 19398 1 452 . 1 1 37 37 VAL HG12 H 1 1.078 0.004 . 2 . . . A 378 VAL QG1 . 19398 1 453 . 1 1 37 37 VAL HG13 H 1 1.078 0.004 . 2 . . . A 378 VAL QG1 . 19398 1 454 . 1 1 37 37 VAL HG21 H 1 0.632 0.001 . 2 . . . A 378 VAL QG2 . 19398 1 455 . 1 1 37 37 VAL HG22 H 1 0.632 0.001 . 2 . . . A 378 VAL QG2 . 19398 1 456 . 1 1 37 37 VAL HG23 H 1 0.632 0.001 . 2 . . . A 378 VAL QG2 . 19398 1 457 . 1 1 37 37 VAL C C 13 174.265 0.100 . 1 . . . A 378 VAL C . 19398 1 458 . 1 1 37 37 VAL CA C 13 59.347 0.100 . 1 . . . A 378 VAL CA . 19398 1 459 . 1 1 37 37 VAL CB C 13 33.127 0.100 . 1 . . . A 378 VAL CB . 19398 1 460 . 1 1 37 37 VAL CG1 C 13 22.769 0.100 . 1 . . . A 378 VAL CG1 . 19398 1 461 . 1 1 37 37 VAL CG2 C 13 20.503 0.100 . 1 . . . A 378 VAL CG2 . 19398 1 462 . 1 1 37 37 VAL N N 15 121.731 0.100 . 1 . . . A 378 VAL N . 19398 1 463 . 1 1 38 38 PRO HA H 1 4.154 0.001 . 1 . . . A 379 PRO HA . 19398 1 464 . 1 1 38 38 PRO HB2 H 1 2.307 0.009 . 2 . . . A 379 PRO HB2 . 19398 1 465 . 1 1 38 38 PRO HB3 H 1 1.958 0.003 . 2 . . . A 379 PRO HB3 . 19398 1 466 . 1 1 38 38 PRO HG2 H 1 2.163 0.002 . 2 . . . A 379 PRO HG2 . 19398 1 467 . 1 1 38 38 PRO HG3 H 1 1.955 0.003 . 2 . . . A 379 PRO HG3 . 19398 1 468 . 1 1 38 38 PRO HD2 H 1 3.917 0.006 . 2 . . . A 379 PRO HD2 . 19398 1 469 . 1 1 38 38 PRO HD3 H 1 3.841 0.007 . 2 . . . A 379 PRO HD3 . 19398 1 470 . 1 1 38 38 PRO C C 13 177.422 0.100 . 1 . . . A 379 PRO C . 19398 1 471 . 1 1 38 38 PRO CA C 13 66.261 0.100 . 1 . . . A 379 PRO CA . 19398 1 472 . 1 1 38 38 PRO CB C 13 32.322 0.059 . 1 . . . A 379 PRO CB . 19398 1 473 . 1 1 38 38 PRO CG C 13 27.449 0.100 . 1 . . . A 379 PRO CG . 19398 1 474 . 1 1 38 38 PRO CD C 13 51.578 0.100 . 1 . . . A 379 PRO CD . 19398 1 475 . 1 1 39 39 TYR H H 1 8.530 0.008 . 1 . . . A 380 TYR H . 19398 1 476 . 1 1 39 39 TYR HA H 1 3.864 0.001 . 1 . . . A 380 TYR HA . 19398 1 477 . 1 1 39 39 TYR HB2 H 1 3.178 0.020 . 2 . . . A 380 TYR HB2 . 19398 1 478 . 1 1 39 39 TYR HB3 H 1 2.033 0.001 . 2 . . . A 380 TYR HB3 . 19398 1 479 . 1 1 39 39 TYR HD1 H 1 5.947 0.005 . 1 . . . A 380 TYR HD1 . 19398 1 480 . 1 1 39 39 TYR HD2 H 1 5.947 0.005 . 1 . . . A 380 TYR HD2 . 19398 1 481 . 1 1 39 39 TYR HE1 H 1 6.617 0.010 . 1 . . . A 380 TYR HE1 . 19398 1 482 . 1 1 39 39 TYR HE2 H 1 6.617 0.010 . 1 . . . A 380 TYR HE2 . 19398 1 483 . 1 1 39 39 TYR C C 13 177.491 0.100 . 1 . . . A 380 TYR C . 19398 1 484 . 1 1 39 39 TYR CA C 13 62.069 0.100 . 1 . . . A 380 TYR CA . 19398 1 485 . 1 1 39 39 TYR CB C 13 40.234 0.100 . 1 . . . A 380 TYR CB . 19398 1 486 . 1 1 39 39 TYR CD1 C 13 133.701 0.100 . 1 . . . A 380 TYR CD1 . 19398 1 487 . 1 1 39 39 TYR CE1 C 13 117.917 0.100 . 1 . . . A 380 TYR CE1 . 19398 1 488 . 1 1 39 39 TYR N N 15 116.348 0.100 . 1 . . . A 380 TYR N . 19398 1 489 . 1 1 40 40 PHE H H 1 7.065 0.005 . 1 . . . A 381 PHE H . 19398 1 490 . 1 1 40 40 PHE HA H 1 3.678 0.020 . 1 . . . A 381 PHE HA . 19398 1 491 . 1 1 40 40 PHE HB2 H 1 2.406 0.020 . 2 . . . A 381 PHE HB2 . 19398 1 492 . 1 1 40 40 PHE HB3 H 1 1.733 0.001 . 2 . . . A 381 PHE HB3 . 19398 1 493 . 1 1 40 40 PHE HD1 H 1 6.056 0.009 . 1 . . . A 381 PHE HD1 . 19398 1 494 . 1 1 40 40 PHE HD2 H 1 6.056 0.009 . 1 . . . A 381 PHE HD2 . 19398 1 495 . 1 1 40 40 PHE HE1 H 1 6.681 0.020 . 1 . . . A 381 PHE HE1 . 19398 1 496 . 1 1 40 40 PHE HE2 H 1 6.681 0.020 . 1 . . . A 381 PHE HE2 . 19398 1 497 . 1 1 40 40 PHE HZ H 1 5.488 0.020 . 1 . . . A 381 PHE HZ . 19398 1 498 . 1 1 40 40 PHE C C 13 178.253 0.003 . 1 . . . A 381 PHE C . 19398 1 499 . 1 1 40 40 PHE CA C 13 60.595 0.100 . 1 . . . A 381 PHE CA . 19398 1 500 . 1 1 40 40 PHE CB C 13 37.421 0.100 . 1 . . . A 381 PHE CB . 19398 1 501 . 1 1 40 40 PHE CD1 C 13 131.109 0.100 . 1 . . . A 381 PHE CD1 . 19398 1 502 . 1 1 40 40 PHE CE1 C 13 131.273 0.100 . 1 . . . A 381 PHE CE1 . 19398 1 503 . 1 1 40 40 PHE CZ C 13 131.273 0.100 . 1 . . . A 381 PHE CZ . 19398 1 504 . 1 1 40 40 PHE N N 15 115.378 0.100 . 1 . . . A 381 PHE N . 19398 1 505 . 1 1 41 41 GLY H H 1 8.176 0.007 . 1 . . . A 382 GLY H . 19398 1 506 . 1 1 41 41 GLY HA2 H 1 3.929 0.005 . 1 . . . A 382 GLY HA2 . 19398 1 507 . 1 1 41 41 GLY HA3 H 1 3.929 0.005 . 1 . . . A 382 GLY HA3 . 19398 1 508 . 1 1 41 41 GLY C C 13 175.114 0.011 . 1 . . . A 382 GLY C . 19398 1 509 . 1 1 41 41 GLY CA C 13 47.972 0.100 . 1 . . . A 382 GLY CA . 19398 1 510 . 1 1 41 41 GLY N N 15 107.322 0.100 . 1 . . . A 382 GLY N . 19398 1 511 . 1 1 42 42 ASN H H 1 7.458 0.006 . 1 . . . A 383 ASN H . 19398 1 512 . 1 1 42 42 ASN HA H 1 4.921 0.020 . 1 . . . A 383 ASN HA . 19398 1 513 . 1 1 42 42 ASN HB2 H 1 2.902 0.020 . 2 . . . A 383 ASN HB2 . 19398 1 514 . 1 1 42 42 ASN HB3 H 1 2.535 0.020 . 2 . . . A 383 ASN HB3 . 19398 1 515 . 1 1 42 42 ASN HD21 H 1 7.292 0.020 . 2 . . . A 383 ASN HD21 . 19398 1 516 . 1 1 42 42 ASN HD22 H 1 6.906 0.020 . 2 . . . A 383 ASN HD22 . 19398 1 517 . 1 1 42 42 ASN C C 13 175.370 0.011 . 1 . . . A 383 ASN C . 19398 1 518 . 1 1 42 42 ASN CA C 13 53.439 0.100 . 1 . . . A 383 ASN CA . 19398 1 519 . 1 1 42 42 ASN CB C 13 39.695 0.100 . 1 . . . A 383 ASN CB . 19398 1 520 . 1 1 42 42 ASN N N 15 116.030 0.100 . 1 . . . A 383 ASN N . 19398 1 521 . 1 1 42 42 ASN ND2 N 15 112.398 0.051 . 1 . . . A 383 ASN ND2 . 19398 1 522 . 1 1 43 43 ARG H H 1 7.876 0.004 . 1 . . . A 384 ARG H . 19398 1 523 . 1 1 43 43 ARG HA H 1 4.751 0.008 . 1 . . . A 384 ARG HA . 19398 1 524 . 1 1 43 43 ARG HB2 H 1 1.551 0.020 . 2 . . . A 384 ARG HB2 . 19398 1 525 . 1 1 43 43 ARG HB3 H 1 2.270 0.005 . 2 . . . A 384 ARG HB3 . 19398 1 526 . 1 1 43 43 ARG HG2 H 1 1.358 0.020 . 1 . . . A 384 ARG HG2 . 19398 1 527 . 1 1 43 43 ARG HG3 H 1 1.358 0.020 . 1 . . . A 384 ARG HG3 . 19398 1 528 . 1 1 43 43 ARG HD2 H 1 2.961 0.020 . 1 . . . A 384 ARG HD2 . 19398 1 529 . 1 1 43 43 ARG HD3 H 1 2.961 0.020 . 1 . . . A 384 ARG HD3 . 19398 1 530 . 1 1 43 43 ARG C C 13 176.031 0.031 . 1 . . . A 384 ARG C . 19398 1 531 . 1 1 43 43 ARG CA C 13 55.074 0.100 . 1 . . . A 384 ARG CA . 19398 1 532 . 1 1 43 43 ARG CB C 13 31.074 0.100 . 1 . . . A 384 ARG CB . 19398 1 533 . 1 1 43 43 ARG CG C 13 27.563 0.100 . 1 . . . A 384 ARG CG . 19398 1 534 . 1 1 43 43 ARG CD C 13 43.136 0.100 . 1 . . . A 384 ARG CD . 19398 1 535 . 1 1 43 43 ARG N N 15 123.074 0.100 . 1 . . . A 384 ARG N . 19398 1 536 . 1 1 44 44 THR H H 1 7.778 0.013 . 1 . . . A 385 THR H . 19398 1 537 . 1 1 44 44 THR HA H 1 4.590 0.003 . 1 . . . A 385 THR HA . 19398 1 538 . 1 1 44 44 THR HB H 1 4.522 0.020 . 1 . . . A 385 THR HB . 19398 1 539 . 1 1 44 44 THR HG21 H 1 1.488 0.001 . 1 . . . A 385 THR QG2 . 19398 1 540 . 1 1 44 44 THR HG22 H 1 1.488 0.001 . 1 . . . A 385 THR QG2 . 19398 1 541 . 1 1 44 44 THR HG23 H 1 1.488 0.001 . 1 . . . A 385 THR QG2 . 19398 1 542 . 1 1 44 44 THR C C 13 176.794 0.002 . 1 . . . A 385 THR C . 19398 1 543 . 1 1 44 44 THR CA C 13 62.846 0.100 . 1 . . . A 385 THR CA . 19398 1 544 . 1 1 44 44 THR CB C 13 70.771 0.100 . 1 . . . A 385 THR CB . 19398 1 545 . 1 1 44 44 THR CG2 C 13 23.357 0.100 . 1 . . . A 385 THR CG2 . 19398 1 546 . 1 1 44 44 THR N N 15 108.028 0.100 . 1 . . . A 385 THR N . 19398 1 547 . 1 1 45 45 SER H H 1 8.386 0.006 . 1 . . . A 386 SER H . 19398 1 548 . 1 1 45 45 SER C C 13 175.890 0.100 . 1 . . . A 386 SER C . 19398 1 549 . 1 1 45 45 SER CA C 13 58.671 0.100 . 1 . . . A 386 SER CA . 19398 1 550 . 1 1 45 45 SER CB C 13 64.604 0.100 . 1 . . . A 386 SER CB . 19398 1 551 . 1 1 45 45 SER N N 15 119.570 0.100 . 1 . . . A 386 SER N . 19398 1 552 . 1 1 46 46 GLN HA H 1 3.872 0.020 . 1 . . . A 387 GLN HA . 19398 1 553 . 1 1 46 46 GLN HB2 H 1 2.146 0.004 . 2 . . . A 387 GLN HB2 . 19398 1 554 . 1 1 46 46 GLN HB3 H 1 2.069 0.001 . 2 . . . A 387 GLN HB3 . 19398 1 555 . 1 1 46 46 GLN HG2 H 1 2.393 0.002 . 1 . . . A 387 GLN HG2 . 19398 1 556 . 1 1 46 46 GLN HG3 H 1 2.393 0.002 . 1 . . . A 387 GLN HG3 . 19398 1 557 . 1 1 46 46 GLN HE21 H 1 7.523 0.020 . 2 . . . A 387 GLN HE21 . 19398 1 558 . 1 1 46 46 GLN HE22 H 1 6.829 0.020 . 2 . . . A 387 GLN HE22 . 19398 1 559 . 1 1 46 46 GLN C C 13 178.290 0.100 . 1 . . . A 387 GLN C . 19398 1 560 . 1 1 46 46 GLN CA C 13 60.266 0.100 . 1 . . . A 387 GLN CA . 19398 1 561 . 1 1 46 46 GLN CB C 13 28.349 0.084 . 1 . . . A 387 GLN CB . 19398 1 562 . 1 1 46 46 GLN CG C 13 34.042 0.100 . 1 . . . A 387 GLN CG . 19398 1 563 . 1 1 46 46 GLN NE2 N 15 112.193 0.004 . 1 . . . A 387 GLN NE2 . 19398 1 564 . 1 1 47 47 GLU H H 1 8.851 0.020 . 1 . . . A 388 GLU H . 19398 1 565 . 1 1 47 47 GLU HA H 1 4.118 0.002 . 1 . . . A 388 GLU HA . 19398 1 566 . 1 1 47 47 GLU HB2 H 1 2.052 0.001 . 2 . . . A 388 GLU HB2 . 19398 1 567 . 1 1 47 47 GLU HB3 H 1 2.001 0.004 . 2 . . . A 388 GLU HB3 . 19398 1 568 . 1 1 47 47 GLU HG2 H 1 2.339 0.001 . 1 . . . A 388 GLU HG2 . 19398 1 569 . 1 1 47 47 GLU HG3 H 1 2.339 0.001 . 1 . . . A 388 GLU HG3 . 19398 1 570 . 1 1 47 47 GLU C C 13 179.055 0.001 . 1 . . . A 388 GLU C . 19398 1 571 . 1 1 47 47 GLU CA C 13 59.576 0.100 . 1 . . . A 388 GLU CA . 19398 1 572 . 1 1 47 47 GLU CB C 13 29.802 0.048 . 1 . . . A 388 GLU CB . 19398 1 573 . 1 1 47 47 GLU CG C 13 36.998 0.100 . 1 . . . A 388 GLU CG . 19398 1 574 . 1 1 47 47 GLU N N 15 116.821 0.100 . 1 . . . A 388 GLU N . 19398 1 575 . 1 1 48 48 GLN H H 1 7.634 0.006 . 1 . . . A 389 GLN H . 19398 1 576 . 1 1 48 48 GLN HA H 1 4.336 0.002 . 1 . . . A 389 GLN HA . 19398 1 577 . 1 1 48 48 GLN HB2 H 1 2.008 0.003 . 1 . . . A 389 GLN HB2 . 19398 1 578 . 1 1 48 48 GLN HB3 H 1 2.008 0.003 . 1 . . . A 389 GLN HB3 . 19398 1 579 . 1 1 48 48 GLN HG2 H 1 2.448 0.020 . 1 . . . A 389 GLN HG2 . 19398 1 580 . 1 1 48 48 GLN HG3 H 1 2.448 0.020 . 1 . . . A 389 GLN HG3 . 19398 1 581 . 1 1 48 48 GLN HE21 H 1 7.617 0.020 . 2 . . . A 389 GLN HE21 . 19398 1 582 . 1 1 48 48 GLN HE22 H 1 6.897 0.020 . 2 . . . A 389 GLN HE22 . 19398 1 583 . 1 1 48 48 GLN C C 13 177.801 0.005 . 1 . . . A 389 GLN C . 19398 1 584 . 1 1 48 48 GLN CA C 13 57.647 0.100 . 1 . . . A 389 GLN CA . 19398 1 585 . 1 1 48 48 GLN CB C 13 29.677 0.074 . 1 . . . A 389 GLN CB . 19398 1 586 . 1 1 48 48 GLN CG C 13 34.838 0.100 . 1 . . . A 389 GLN CG . 19398 1 587 . 1 1 48 48 GLN N N 15 116.070 0.100 . 1 . . . A 389 GLN N . 19398 1 588 . 1 1 48 48 GLN NE2 N 15 111.938 0.050 . 1 . . . A 389 GLN NE2 . 19398 1 589 . 1 1 49 49 SER H H 1 8.232 0.006 . 1 . . . A 390 SER H . 19398 1 590 . 1 1 49 49 SER HA H 1 4.217 0.002 . 1 . . . A 390 SER HA . 19398 1 591 . 1 1 49 49 SER HB2 H 1 2.902 0.004 . 1 . . . A 390 SER HB2 . 19398 1 592 . 1 1 49 49 SER HB3 H 1 2.902 0.004 . 1 . . . A 390 SER HB3 . 19398 1 593 . 1 1 49 49 SER C C 13 174.713 0.021 . 1 . . . A 390 SER C . 19398 1 594 . 1 1 49 49 SER CA C 13 59.242 0.013 . 1 . . . A 390 SER CA . 19398 1 595 . 1 1 49 49 SER CB C 13 65.382 0.100 . 1 . . . A 390 SER CB . 19398 1 596 . 1 1 49 49 SER N N 15 113.349 0.100 . 1 . . . A 390 SER N . 19398 1 597 . 1 1 50 50 ALA H H 1 7.064 0.006 . 1 . . . A 391 ALA H . 19398 1 598 . 1 1 50 50 ALA HA H 1 3.716 0.005 . 1 . . . A 391 ALA HA . 19398 1 599 . 1 1 50 50 ALA HB1 H 1 1.360 0.003 . 1 . . . A 391 ALA QB . 19398 1 600 . 1 1 50 50 ALA HB2 H 1 1.360 0.003 . 1 . . . A 391 ALA QB . 19398 1 601 . 1 1 50 50 ALA HB3 H 1 1.360 0.003 . 1 . . . A 391 ALA QB . 19398 1 602 . 1 1 50 50 ALA C C 13 180.395 0.006 . 1 . . . A 391 ALA C . 19398 1 603 . 1 1 50 50 ALA CA C 13 55.690 0.100 . 1 . . . A 391 ALA CA . 19398 1 604 . 1 1 50 50 ALA CB C 13 18.320 0.100 . 1 . . . A 391 ALA CB . 19398 1 605 . 1 1 50 50 ALA N N 15 124.819 0.100 . 1 . . . A 391 ALA N . 19398 1 606 . 1 1 51 51 GLY H H 1 8.290 0.007 . 1 . . . A 392 GLY H . 19398 1 607 . 1 1 51 51 GLY HA2 H 1 3.893 0.006 . 2 . . . A 392 GLY HA2 . 19398 1 608 . 1 1 51 51 GLY HA3 H 1 4.049 0.020 . 2 . . . A 392 GLY HA3 . 19398 1 609 . 1 1 51 51 GLY C C 13 176.871 0.011 . 1 . . . A 392 GLY C . 19398 1 610 . 1 1 51 51 GLY CA C 13 47.597 0.100 . 1 . . . A 392 GLY CA . 19398 1 611 . 1 1 51 51 GLY N N 15 104.842 0.100 . 1 . . . A 392 GLY N . 19398 1 612 . 1 1 52 52 TRP H H 1 8.078 0.011 . 1 . . . A 393 TRP H . 19398 1 613 . 1 1 52 52 TRP HA H 1 4.754 0.020 . 1 . . . A 393 TRP HA . 19398 1 614 . 1 1 52 52 TRP HB2 H 1 3.817 0.020 . 2 . . . A 393 TRP HB2 . 19398 1 615 . 1 1 52 52 TRP HB3 H 1 3.587 0.020 . 2 . . . A 393 TRP HB3 . 19398 1 616 . 1 1 52 52 TRP HD1 H 1 7.626 0.005 . 1 . . . A 393 TRP HD1 . 19398 1 617 . 1 1 52 52 TRP HE1 H 1 10.558 0.005 . 1 . . . A 393 TRP HE1 . 19398 1 618 . 1 1 52 52 TRP HE3 H 1 6.392 0.004 . 1 . . . A 393 TRP HE3 . 19398 1 619 . 1 1 52 52 TRP HZ2 H 1 7.280 0.020 . 1 . . . A 393 TRP HZ2 . 19398 1 620 . 1 1 52 52 TRP HZ3 H 1 7.005 0.020 . 1 . . . A 393 TRP HZ3 . 19398 1 621 . 1 1 52 52 TRP HH2 H 1 7.168 0.020 . 1 . . . A 393 TRP HH2 . 19398 1 622 . 1 1 52 52 TRP C C 13 179.303 0.008 . 1 . . . A 393 TRP C . 19398 1 623 . 1 1 52 52 TRP CA C 13 59.469 0.100 . 1 . . . A 393 TRP CA . 19398 1 624 . 1 1 52 52 TRP CB C 13 30.214 0.100 . 1 . . . A 393 TRP CB . 19398 1 625 . 1 1 52 52 TRP CD1 C 13 127.888 0.100 . 1 . . . A 393 TRP CD1 . 19398 1 626 . 1 1 52 52 TRP CE3 C 13 119.302 0.100 . 1 . . . A 393 TRP CE3 . 19398 1 627 . 1 1 52 52 TRP CZ2 C 13 114.125 0.100 . 1 . . . A 393 TRP CZ2 . 19398 1 628 . 1 1 52 52 TRP CZ3 C 13 122.407 0.100 . 1 . . . A 393 TRP CZ3 . 19398 1 629 . 1 1 52 52 TRP CH2 C 13 124.063 0.100 . 1 . . . A 393 TRP CH2 . 19398 1 630 . 1 1 52 52 TRP N N 15 122.918 0.100 . 1 . . . A 393 TRP N . 19398 1 631 . 1 1 52 52 TRP NE1 N 15 130.424 0.100 . 1 . . . A 393 TRP NE1 . 19398 1 632 . 1 1 53 53 LYS H H 1 7.719 0.008 . 1 . . . A 394 LYS H . 19398 1 633 . 1 1 53 53 LYS HA H 1 3.394 0.002 . 1 . . . A 394 LYS HA . 19398 1 634 . 1 1 53 53 LYS HB2 H 1 1.116 0.004 . 2 . . . A 394 LYS HB2 . 19398 1 635 . 1 1 53 53 LYS HB3 H 1 0.954 0.020 . 2 . . . A 394 LYS HB3 . 19398 1 636 . 1 1 53 53 LYS HG2 H 1 -0.504 0.002 . 2 . . . A 394 LYS HG2 . 19398 1 637 . 1 1 53 53 LYS HG3 H 1 -1.164 0.002 . 2 . . . A 394 LYS HG3 . 19398 1 638 . 1 1 53 53 LYS HD2 H 1 0.534 0.020 . 1 . . . A 394 LYS HD2 . 19398 1 639 . 1 1 53 53 LYS HD3 H 1 0.534 0.020 . 1 . . . A 394 LYS HD3 . 19398 1 640 . 1 1 53 53 LYS HE2 H 1 1.940 0.004 . 2 . . . A 394 LYS HE2 . 19398 1 641 . 1 1 53 53 LYS HE3 H 1 1.715 0.020 . 2 . . . A 394 LYS HE3 . 19398 1 642 . 1 1 53 53 LYS C C 13 179.354 0.008 . 1 . . . A 394 LYS C . 19398 1 643 . 1 1 53 53 LYS CA C 13 60.863 0.100 . 1 . . . A 394 LYS CA . 19398 1 644 . 1 1 53 53 LYS CB C 13 31.732 0.100 . 1 . . . A 394 LYS CB . 19398 1 645 . 1 1 53 53 LYS CG C 13 26.006 0.100 . 1 . . . A 394 LYS CG . 19398 1 646 . 1 1 53 53 LYS CD C 13 29.609 0.100 . 1 . . . A 394 LYS CD . 19398 1 647 . 1 1 53 53 LYS CE C 13 42.191 0.100 . 1 . . . A 394 LYS CE . 19398 1 648 . 1 1 53 53 LYS N N 15 123.722 0.100 . 1 . . . A 394 LYS N . 19398 1 649 . 1 1 54 54 ASN H H 1 7.679 0.020 . 1 . . . A 395 ASN H . 19398 1 650 . 1 1 54 54 ASN HA H 1 4.255 0.005 . 1 . . . A 395 ASN HA . 19398 1 651 . 1 1 54 54 ASN HB2 H 1 2.895 0.003 . 1 . . . A 395 ASN HB2 . 19398 1 652 . 1 1 54 54 ASN HB3 H 1 2.895 0.003 . 1 . . . A 395 ASN HB3 . 19398 1 653 . 1 1 54 54 ASN HD21 H 1 7.630 0.020 . 2 . . . A 395 ASN HD21 . 19398 1 654 . 1 1 54 54 ASN HD22 H 1 6.885 0.020 . 2 . . . A 395 ASN HD22 . 19398 1 655 . 1 1 54 54 ASN C C 13 178.194 0.006 . 1 . . . A 395 ASN C . 19398 1 656 . 1 1 54 54 ASN CA C 13 56.763 0.100 . 1 . . . A 395 ASN CA . 19398 1 657 . 1 1 54 54 ASN CB C 13 38.798 0.100 . 1 . . . A 395 ASN CB . 19398 1 658 . 1 1 54 54 ASN N N 15 118.036 0.100 . 1 . . . A 395 ASN N . 19398 1 659 . 1 1 54 54 ASN ND2 N 15 113.522 0.007 . 1 . . . A 395 ASN ND2 . 19398 1 660 . 1 1 55 55 SER H H 1 8.228 0.007 . 1 . . . A 396 SER H . 19398 1 661 . 1 1 55 55 SER HA H 1 4.119 0.020 . 1 . . . A 396 SER HA . 19398 1 662 . 1 1 55 55 SER HB2 H 1 3.751 0.020 . 2 . . . A 396 SER HB2 . 19398 1 663 . 1 1 55 55 SER HB3 H 1 2.835 0.020 . 2 . . . A 396 SER HB3 . 19398 1 664 . 1 1 55 55 SER C C 13 177.682 0.013 . 1 . . . A 396 SER C . 19398 1 665 . 1 1 55 55 SER CA C 13 63.167 0.100 . 1 . . . A 396 SER CA . 19398 1 666 . 1 1 55 55 SER CB C 13 62.449 0.100 . 1 . . . A 396 SER CB . 19398 1 667 . 1 1 55 55 SER N N 15 117.816 0.100 . 1 . . . A 396 SER N . 19398 1 668 . 1 1 56 56 ILE H H 1 8.036 0.007 . 1 . . . A 397 ILE H . 19398 1 669 . 1 1 56 56 ILE HA H 1 3.253 0.002 . 1 . . . A 397 ILE HA . 19398 1 670 . 1 1 56 56 ILE HB H 1 2.022 0.020 . 1 . . . A 397 ILE HB . 19398 1 671 . 1 1 56 56 ILE HG12 H 1 0.215 0.020 . 2 . . . A 397 ILE HG12 . 19398 1 672 . 1 1 56 56 ILE HG13 H 1 1.721 0.004 . 2 . . . A 397 ILE HG13 . 19398 1 673 . 1 1 56 56 ILE HG21 H 1 0.504 0.020 . 1 . . . A 397 ILE QG2 . 19398 1 674 . 1 1 56 56 ILE HG22 H 1 0.504 0.020 . 1 . . . A 397 ILE QG2 . 19398 1 675 . 1 1 56 56 ILE HG23 H 1 0.504 0.020 . 1 . . . A 397 ILE QG2 . 19398 1 676 . 1 1 56 56 ILE HD11 H 1 0.057 0.020 . 1 . . . A 397 ILE QD1 . 19398 1 677 . 1 1 56 56 ILE HD12 H 1 0.057 0.020 . 1 . . . A 397 ILE QD1 . 19398 1 678 . 1 1 56 56 ILE HD13 H 1 0.057 0.020 . 1 . . . A 397 ILE QD1 . 19398 1 679 . 1 1 56 56 ILE C C 13 176.616 0.007 . 1 . . . A 397 ILE C . 19398 1 680 . 1 1 56 56 ILE CA C 13 67.027 0.100 . 1 . . . A 397 ILE CA . 19398 1 681 . 1 1 56 56 ILE CB C 13 38.318 0.100 . 1 . . . A 397 ILE CB . 19398 1 682 . 1 1 56 56 ILE CG1 C 13 31.314 0.100 . 1 . . . A 397 ILE CG1 . 19398 1 683 . 1 1 56 56 ILE CG2 C 13 16.764 0.100 . 1 . . . A 397 ILE CG2 . 19398 1 684 . 1 1 56 56 ILE CD1 C 13 14.945 0.100 . 1 . . . A 397 ILE CD1 . 19398 1 685 . 1 1 56 56 ILE N N 15 125.811 0.100 . 1 . . . A 397 ILE N . 19398 1 686 . 1 1 57 57 ARG H H 1 7.799 0.005 . 1 . . . A 398 ARG H . 19398 1 687 . 1 1 57 57 ARG HA H 1 3.642 0.020 . 1 . . . A 398 ARG HA . 19398 1 688 . 1 1 57 57 ARG HB2 H 1 1.995 0.020 . 2 . . . A 398 ARG HB2 . 19398 1 689 . 1 1 57 57 ARG HB3 H 1 1.847 0.020 . 2 . . . A 398 ARG HB3 . 19398 1 690 . 1 1 57 57 ARG HG2 H 1 2.068 0.001 . 2 . . . A 398 ARG HG2 . 19398 1 691 . 1 1 57 57 ARG HG3 H 1 1.455 0.001 . 2 . . . A 398 ARG HG3 . 19398 1 692 . 1 1 57 57 ARG HD2 H 1 3.270 0.003 . 1 . . . A 398 ARG HD2 . 19398 1 693 . 1 1 57 57 ARG HD3 H 1 3.270 0.003 . 1 . . . A 398 ARG HD3 . 19398 1 694 . 1 1 57 57 ARG C C 13 179.268 0.008 . 1 . . . A 398 ARG C . 19398 1 695 . 1 1 57 57 ARG CA C 13 60.890 0.100 . 1 . . . A 398 ARG CA . 19398 1 696 . 1 1 57 57 ARG CB C 13 30.236 0.100 . 1 . . . A 398 ARG CB . 19398 1 697 . 1 1 57 57 ARG CG C 13 28.542 0.100 . 1 . . . A 398 ARG CG . 19398 1 698 . 1 1 57 57 ARG CD C 13 43.932 0.100 . 1 . . . A 398 ARG CD . 19398 1 699 . 1 1 57 57 ARG N N 15 118.284 0.100 . 1 . . . A 398 ARG N . 19398 1 700 . 1 1 58 58 HIS H H 1 8.589 0.020 . 1 . . . A 399 HIS H . 19398 1 701 . 1 1 58 58 HIS HA H 1 4.320 0.001 . 1 . . . A 399 HIS HA . 19398 1 702 . 1 1 58 58 HIS HB2 H 1 3.179 0.020 . 1 . . . A 399 HIS HB2 . 19398 1 703 . 1 1 58 58 HIS HB3 H 1 3.179 0.020 . 1 . . . A 399 HIS HB3 . 19398 1 704 . 1 1 58 58 HIS C C 13 177.716 0.004 . 1 . . . A 399 HIS C . 19398 1 705 . 1 1 58 58 HIS CA C 13 59.335 0.100 . 1 . . . A 399 HIS CA . 19398 1 706 . 1 1 58 58 HIS CB C 13 30.475 0.100 . 1 . . . A 399 HIS CB . 19398 1 707 . 1 1 58 58 HIS N N 15 118.053 0.100 . 1 . . . A 399 HIS N . 19398 1 708 . 1 1 59 59 ASN H H 1 7.942 0.001 . 1 . . . A 400 ASN H . 19398 1 709 . 1 1 59 59 ASN HA H 1 4.237 0.020 . 1 . . . A 400 ASN HA . 19398 1 710 . 1 1 59 59 ASN HB2 H 1 2.694 0.002 . 2 . . . A 400 ASN HB2 . 19398 1 711 . 1 1 59 59 ASN HB3 H 1 2.356 0.005 . 2 . . . A 400 ASN HB3 . 19398 1 712 . 1 1 59 59 ASN HD21 H 1 7.519 0.012 . 2 . . . A 400 ASN HD21 . 19398 1 713 . 1 1 59 59 ASN HD22 H 1 7.690 0.001 . 2 . . . A 400 ASN HD22 . 19398 1 714 . 1 1 59 59 ASN C C 13 177.187 0.014 . 1 . . . A 400 ASN C . 19398 1 715 . 1 1 59 59 ASN CA C 13 57.995 0.100 . 1 . . . A 400 ASN CA . 19398 1 716 . 1 1 59 59 ASN CB C 13 40.893 0.100 . 1 . . . A 400 ASN CB . 19398 1 717 . 1 1 59 59 ASN N N 15 117.586 0.100 . 1 . . . A 400 ASN N . 19398 1 718 . 1 1 59 59 ASN ND2 N 15 114.089 0.001 . 1 . . . A 400 ASN ND2 . 19398 1 719 . 1 1 60 60 LEU H H 1 7.932 0.009 . 1 . . . A 401 LEU H . 19398 1 720 . 1 1 60 60 LEU HA H 1 3.774 0.008 . 1 . . . A 401 LEU HA . 19398 1 721 . 1 1 60 60 LEU HB2 H 1 1.052 0.003 . 2 . . . A 401 LEU HB2 . 19398 1 722 . 1 1 60 60 LEU HB3 H 1 -0.229 0.020 . 2 . . . A 401 LEU HB3 . 19398 1 723 . 1 1 60 60 LEU HG H 1 0.961 0.001 . 1 . . . A 401 LEU HG . 19398 1 724 . 1 1 60 60 LEU HD11 H 1 -0.563 0.004 . 2 . . . A 401 LEU QD1 . 19398 1 725 . 1 1 60 60 LEU HD12 H 1 -0.563 0.004 . 2 . . . A 401 LEU QD1 . 19398 1 726 . 1 1 60 60 LEU HD13 H 1 -0.563 0.004 . 2 . . . A 401 LEU QD1 . 19398 1 727 . 1 1 60 60 LEU HD21 H 1 -0.354 0.001 . 2 . . . A 401 LEU QD2 . 19398 1 728 . 1 1 60 60 LEU HD22 H 1 -0.354 0.001 . 2 . . . A 401 LEU QD2 . 19398 1 729 . 1 1 60 60 LEU HD23 H 1 -0.354 0.001 . 2 . . . A 401 LEU QD2 . 19398 1 730 . 1 1 60 60 LEU C C 13 176.779 0.100 . 1 . . . A 401 LEU C . 19398 1 731 . 1 1 60 60 LEU CA C 13 57.728 0.100 . 1 . . . A 401 LEU CA . 19398 1 732 . 1 1 60 60 LEU CB C 13 40.896 0.100 . 1 . . . A 401 LEU CB . 19398 1 733 . 1 1 60 60 LEU CG C 13 25.682 0.100 . 1 . . . A 401 LEU CG . 19398 1 734 . 1 1 60 60 LEU CD1 C 13 25.682 0.100 . 1 . . . A 401 LEU CD1 . 19398 1 735 . 1 1 60 60 LEU CD2 C 13 22.121 0.100 . 1 . . . A 401 LEU CD2 . 19398 1 736 . 1 1 60 60 LEU N N 15 119.911 0.100 . 1 . . . A 401 LEU N . 19398 1 737 . 1 1 61 61 SER H H 1 7.136 0.009 . 1 . . . A 402 SER H . 19398 1 738 . 1 1 61 61 SER HA H 1 4.464 0.020 . 1 . . . A 402 SER HA . 19398 1 739 . 1 1 61 61 SER HB2 H 1 4.023 0.001 . 1 . . . A 402 SER HB2 . 19398 1 740 . 1 1 61 61 SER HB3 H 1 4.023 0.001 . 1 . . . A 402 SER HB3 . 19398 1 741 . 1 1 61 61 SER C C 13 175.363 0.100 . 1 . . . A 402 SER C . 19398 1 742 . 1 1 61 61 SER CA C 13 60.319 0.100 . 1 . . . A 402 SER CA . 19398 1 743 . 1 1 61 61 SER CB C 13 64.724 0.100 . 1 . . . A 402 SER CB . 19398 1 744 . 1 1 61 61 SER N N 15 109.619 0.100 . 1 . . . A 402 SER N . 19398 1 745 . 1 1 62 62 LEU H H 1 7.454 0.007 . 1 . . . A 403 LEU H . 19398 1 746 . 1 1 62 62 LEU HA H 1 4.285 0.020 . 1 . . . A 403 LEU HA . 19398 1 747 . 1 1 62 62 LEU HB2 H 1 1.508 0.020 . 2 . . . A 403 LEU HB2 . 19398 1 748 . 1 1 62 62 LEU HB3 H 1 1.249 0.002 . 2 . . . A 403 LEU HB3 . 19398 1 749 . 1 1 62 62 LEU HG H 1 1.362 0.020 . 1 . . . A 403 LEU HG . 19398 1 750 . 1 1 62 62 LEU HD11 H 1 0.719 0.001 . 1 . . . A 403 LEU QD1 . 19398 1 751 . 1 1 62 62 LEU HD12 H 1 0.719 0.001 . 1 . . . A 403 LEU QD1 . 19398 1 752 . 1 1 62 62 LEU HD13 H 1 0.719 0.001 . 1 . . . A 403 LEU QD1 . 19398 1 753 . 1 1 62 62 LEU HD21 H 1 0.719 0.001 . 1 . . . A 403 LEU QD2 . 19398 1 754 . 1 1 62 62 LEU HD22 H 1 0.719 0.001 . 1 . . . A 403 LEU QD2 . 19398 1 755 . 1 1 62 62 LEU HD23 H 1 0.719 0.001 . 1 . . . A 403 LEU QD2 . 19398 1 756 . 1 1 62 62 LEU C C 13 177.566 0.100 . 1 . . . A 403 LEU C . 19398 1 757 . 1 1 62 62 LEU CA C 13 56.110 0.100 . 1 . . . A 403 LEU CA . 19398 1 758 . 1 1 62 62 LEU CB C 13 43.809 0.100 . 1 . . . A 403 LEU CB . 19398 1 759 . 1 1 62 62 LEU CG C 13 26.653 0.100 . 1 . . . A 403 LEU CG . 19398 1 760 . 1 1 62 62 LEU CD1 C 13 24.063 0.100 . 1 . . . A 403 LEU CD1 . 19398 1 761 . 1 1 62 62 LEU N N 15 121.043 0.100 . 1 . . . A 403 LEU N . 19398 1 762 . 1 1 63 63 HIS HA H 1 4.762 0.012 . 1 . . . A 404 HIS HA . 19398 1 763 . 1 1 63 63 HIS HB2 H 1 3.323 0.001 . 1 . . . A 404 HIS HB2 . 19398 1 764 . 1 1 63 63 HIS HB3 H 1 3.323 0.001 . 1 . . . A 404 HIS HB3 . 19398 1 765 . 1 1 63 63 HIS CB C 13 30.214 0.100 . 1 . . . A 404 HIS CB . 19398 1 766 . 1 1 64 64 SER HA H 1 4.437 0.005 . 1 . . . A 405 SER HA . 19398 1 767 . 1 1 64 64 SER HB2 H 1 4.002 0.010 . 1 . . . A 405 SER HB2 . 19398 1 768 . 1 1 64 64 SER HB3 H 1 4.002 0.010 . 1 . . . A 405 SER HB3 . 19398 1 769 . 1 1 64 64 SER C C 13 174.325 0.100 . 1 . . . A 405 SER C . 19398 1 770 . 1 1 64 64 SER CA C 13 59.944 0.100 . 1 . . . A 405 SER CA . 19398 1 771 . 1 1 64 64 SER CB C 13 63.285 0.105 . 1 . . . A 405 SER CB . 19398 1 772 . 1 1 65 65 ARG H H 1 7.695 0.009 . 1 . . . A 406 ARG H . 19398 1 773 . 1 1 65 65 ARG HA H 1 3.985 0.020 . 1 . . . A 406 ARG HA . 19398 1 774 . 1 1 65 65 ARG HB2 H 1 0.983 0.020 . 2 . . . A 406 ARG HB2 . 19398 1 775 . 1 1 65 65 ARG HB3 H 1 1.474 0.001 . 2 . . . A 406 ARG HB3 . 19398 1 776 . 1 1 65 65 ARG HG2 H 1 1.019 0.001 . 1 . . . A 406 ARG HG2 . 19398 1 777 . 1 1 65 65 ARG HG3 H 1 1.019 0.001 . 1 . . . A 406 ARG HG3 . 19398 1 778 . 1 1 65 65 ARG HD2 H 1 2.866 0.020 . 2 . . . A 406 ARG HD2 . 19398 1 779 . 1 1 65 65 ARG HD3 H 1 2.814 0.001 . 2 . . . A 406 ARG HD3 . 19398 1 780 . 1 1 65 65 ARG C C 13 175.091 0.100 . 1 . . . A 406 ARG C . 19398 1 781 . 1 1 65 65 ARG CA C 13 57.995 0.100 . 1 . . . A 406 ARG CA . 19398 1 782 . 1 1 65 65 ARG CB C 13 31.313 0.100 . 1 . . . A 406 ARG CB . 19398 1 783 . 1 1 65 65 ARG CG C 13 26.653 0.100 . 1 . . . A 406 ARG CG . 19398 1 784 . 1 1 65 65 ARG CD C 13 44.386 0.100 . 1 . . . A 406 ARG CD . 19398 1 785 . 1 1 65 65 ARG N N 15 119.643 0.100 . 1 . . . A 406 ARG N . 19398 1 786 . 1 1 66 66 PHE H H 1 8.113 0.009 . 1 . . . A 407 PHE H . 19398 1 787 . 1 1 66 66 PHE HA H 1 5.638 0.003 . 1 . . . A 407 PHE HA . 19398 1 788 . 1 1 66 66 PHE HB2 H 1 3.385 0.020 . 1 . . . A 407 PHE HB2 . 19398 1 789 . 1 1 66 66 PHE HB3 H 1 3.385 0.020 . 1 . . . A 407 PHE HB3 . 19398 1 790 . 1 1 66 66 PHE HD1 H 1 7.320 0.005 . 1 . . . A 407 PHE HD1 . 19398 1 791 . 1 1 66 66 PHE HD2 H 1 7.320 0.005 . 1 . . . A 407 PHE HD2 . 19398 1 792 . 1 1 66 66 PHE HE1 H 1 7.390 0.020 . 1 . . . A 407 PHE HE1 . 19398 1 793 . 1 1 66 66 PHE HE2 H 1 7.390 0.020 . 1 . . . A 407 PHE HE2 . 19398 1 794 . 1 1 66 66 PHE HZ H 1 7.264 0.020 . 1 . . . A 407 PHE HZ . 19398 1 795 . 1 1 66 66 PHE C C 13 174.790 0.012 . 1 . . . A 407 PHE C . 19398 1 796 . 1 1 66 66 PHE CA C 13 55.663 0.100 . 1 . . . A 407 PHE CA . 19398 1 797 . 1 1 66 66 PHE CB C 13 42.091 0.100 . 1 . . . A 407 PHE CB . 19398 1 798 . 1 1 66 66 PHE CD1 C 13 132.087 0.100 . 1 . . . A 407 PHE CD1 . 19398 1 799 . 1 1 66 66 PHE CE1 C 13 132.117 0.100 . 1 . . . A 407 PHE CE1 . 19398 1 800 . 1 1 66 66 PHE CZ C 13 132.077 0.100 . 1 . . . A 407 PHE CZ . 19398 1 801 . 1 1 66 66 PHE N N 15 117.424 0.100 . 1 . . . A 407 PHE N . 19398 1 802 . 1 1 67 67 MET H H 1 9.525 0.020 . 1 . . . A 408 MET H . 19398 1 803 . 1 1 67 67 MET HA H 1 4.962 0.020 . 1 . . . A 408 MET HA . 19398 1 804 . 1 1 67 67 MET HB2 H 1 1.951 0.005 . 1 . . . A 408 MET HB2 . 19398 1 805 . 1 1 67 67 MET HB3 H 1 1.951 0.005 . 1 . . . A 408 MET HB3 . 19398 1 806 . 1 1 67 67 MET HG2 H 1 2.335 0.020 . 1 . . . A 408 MET HG2 . 19398 1 807 . 1 1 67 67 MET HG3 H 1 2.335 0.020 . 1 . . . A 408 MET HG3 . 19398 1 808 . 1 1 67 67 MET HE1 H 1 2.059 0.020 . 1 . . . A 408 MET QE . 19398 1 809 . 1 1 67 67 MET HE2 H 1 2.059 0.020 . 1 . . . A 408 MET QE . 19398 1 810 . 1 1 67 67 MET HE3 H 1 2.059 0.020 . 1 . . . A 408 MET QE . 19398 1 811 . 1 1 67 67 MET CA C 13 54.491 0.100 . 1 . . . A 408 MET CA . 19398 1 812 . 1 1 67 67 MET CB C 13 37.012 0.100 . 1 . . . A 408 MET CB . 19398 1 813 . 1 1 67 67 MET CG C 13 31.832 0.100 . 1 . . . A 408 MET CG . 19398 1 814 . 1 1 67 67 MET CE C 13 17.589 0.100 . 1 . . . A 408 MET CE . 19398 1 815 . 1 1 67 67 MET N N 15 120.470 0.100 . 1 . . . A 408 MET N . 19398 1 816 . 1 1 68 68 ARG H H 1 8.207 0.020 . 1 . . . A 409 ARG H . 19398 1 817 . 1 1 68 68 ARG HA H 1 4.233 0.006 . 1 . . . A 409 ARG HA . 19398 1 818 . 1 1 68 68 ARG HB2 H 1 1.050 0.010 . 1 . . . A 409 ARG HB2 . 19398 1 819 . 1 1 68 68 ARG HB3 H 1 1.050 0.010 . 1 . . . A 409 ARG HB3 . 19398 1 820 . 1 1 68 68 ARG HG2 H 1 0.604 0.020 . 2 . . . A 409 ARG HG2 . 19398 1 821 . 1 1 68 68 ARG HG3 H 1 0.340 0.002 . 2 . . . A 409 ARG HG3 . 19398 1 822 . 1 1 68 68 ARG HD2 H 1 2.859 0.001 . 2 . . . A 409 ARG HD2 . 19398 1 823 . 1 1 68 68 ARG HD3 H 1 2.758 0.001 . 2 . . . A 409 ARG HD3 . 19398 1 824 . 1 1 68 68 ARG CA C 13 54.491 0.100 . 1 . . . A 409 ARG CA . 19398 1 825 . 1 1 68 68 ARG CB C 13 31.509 0.100 . 1 . . . A 409 ARG CB . 19398 1 826 . 1 1 68 68 ARG CG C 13 26.977 0.100 . 1 . . . A 409 ARG CG . 19398 1 827 . 1 1 68 68 ARG CD C 13 43.809 0.100 . 1 . . . A 409 ARG CD . 19398 1 828 . 1 1 68 68 ARG N N 15 124.783 0.100 . 1 . . . A 409 ARG N . 19398 1 829 . 1 1 69 69 ILE H H 1 8.898 0.010 . 1 . . . A 410 ILE H . 19398 1 830 . 1 1 69 69 ILE HA H 1 4.219 0.004 . 1 . . . A 410 ILE HA . 19398 1 831 . 1 1 69 69 ILE HB H 1 1.750 0.020 . 1 . . . A 410 ILE HB . 19398 1 832 . 1 1 69 69 ILE HG12 H 1 1.350 0.020 . 2 . . . A 410 ILE HG12 . 19398 1 833 . 1 1 69 69 ILE HG13 H 1 1.097 0.001 . 2 . . . A 410 ILE HG13 . 19398 1 834 . 1 1 69 69 ILE HG21 H 1 0.829 0.020 . 1 . . . A 410 ILE QG2 . 19398 1 835 . 1 1 69 69 ILE HG22 H 1 0.829 0.020 . 1 . . . A 410 ILE QG2 . 19398 1 836 . 1 1 69 69 ILE HG23 H 1 0.829 0.020 . 1 . . . A 410 ILE QG2 . 19398 1 837 . 1 1 69 69 ILE HD11 H 1 0.689 0.002 . 1 . . . A 410 ILE QD1 . 19398 1 838 . 1 1 69 69 ILE HD12 H 1 0.689 0.002 . 1 . . . A 410 ILE QD1 . 19398 1 839 . 1 1 69 69 ILE HD13 H 1 0.689 0.002 . 1 . . . A 410 ILE QD1 . 19398 1 840 . 1 1 69 69 ILE CA C 13 59.994 0.100 . 1 . . . A 410 ILE CA . 19398 1 841 . 1 1 69 69 ILE CB C 13 39.601 0.100 . 1 . . . A 410 ILE CB . 19398 1 842 . 1 1 69 69 ILE CG1 C 13 26.977 0.100 . 1 . . . A 410 ILE CG1 . 19398 1 843 . 1 1 69 69 ILE CG2 C 13 17.589 0.100 . 1 . . . A 410 ILE CG2 . 19398 1 844 . 1 1 69 69 ILE CD1 C 13 12.734 0.100 . 1 . . . A 410 ILE CD1 . 19398 1 845 . 1 1 69 69 ILE N N 15 125.761 0.100 . 1 . . . A 410 ILE N . 19398 1 846 . 1 1 70 70 GLN H H 1 8.484 0.006 . 1 . . . A 411 GLN H . 19398 1 847 . 1 1 70 70 GLN HA H 1 4.492 0.020 . 1 . . . A 411 GLN HA . 19398 1 848 . 1 1 70 70 GLN HB2 H 1 2.029 0.020 . 2 . . . A 411 GLN HB2 . 19398 1 849 . 1 1 70 70 GLN HB3 H 1 1.888 0.020 . 2 . . . A 411 GLN HB3 . 19398 1 850 . 1 1 70 70 GLN HG2 H 1 2.246 0.020 . 1 . . . A 411 GLN HG2 . 19398 1 851 . 1 1 70 70 GLN HG3 H 1 2.246 0.020 . 1 . . . A 411 GLN HG3 . 19398 1 852 . 1 1 70 70 GLN HE21 H 1 7.488 0.020 . 2 . . . A 411 GLN HE21 . 19398 1 853 . 1 1 70 70 GLN HE22 H 1 6.768 0.020 . 2 . . . A 411 GLN HE22 . 19398 1 854 . 1 1 70 70 GLN C C 13 175.363 0.100 . 1 . . . A 411 GLN C . 19398 1 855 . 1 1 70 70 GLN CA C 13 55.662 0.100 . 1 . . . A 411 GLN CA . 19398 1 856 . 1 1 70 70 GLN CB C 13 30.834 0.100 . 1 . . . A 411 GLN CB . 19398 1 857 . 1 1 70 70 GLN CG C 13 34.497 0.100 . 1 . . . A 411 GLN CG . 19398 1 858 . 1 1 70 70 GLN N N 15 124.638 0.100 . 1 . . . A 411 GLN N . 19398 1 859 . 1 1 70 70 GLN NE2 N 15 112.200 0.104 . 1 . . . A 411 GLN NE2 . 19398 1 860 . 1 1 71 71 ASN H H 1 8.490 0.020 . 1 . . . A 412 ASN H . 19398 1 861 . 1 1 71 71 ASN HA H 1 4.715 0.020 . 1 . . . A 412 ASN HA . 19398 1 862 . 1 1 71 71 ASN HB2 H 1 2.753 0.020 . 2 . . . A 412 ASN HB2 . 19398 1 863 . 1 1 71 71 ASN HB3 H 1 2.653 0.020 . 2 . . . A 412 ASN HB3 . 19398 1 864 . 1 1 71 71 ASN HD21 H 1 7.367 0.020 . 2 . . . A 412 ASN HD21 . 19398 1 865 . 1 1 71 71 ASN HD22 H 1 6.756 0.020 . 2 . . . A 412 ASN HD22 . 19398 1 866 . 1 1 71 71 ASN C C 13 175.040 0.100 . 1 . . . A 412 ASN C . 19398 1 867 . 1 1 71 71 ASN CA C 13 53.359 0.100 . 1 . . . A 412 ASN CA . 19398 1 868 . 1 1 71 71 ASN CB C 13 39.636 0.100 . 1 . . . A 412 ASN CB . 19398 1 869 . 1 1 71 71 ASN N N 15 121.426 0.100 . 1 . . . A 412 ASN N . 19398 1 870 . 1 1 71 71 ASN ND2 N 15 112.438 0.100 . 1 . . . A 412 ASN ND2 . 19398 1 871 . 1 1 72 72 GLU H H 1 8.599 0.005 . 1 . . . A 413 GLU H . 19398 1 872 . 1 1 72 72 GLU HA H 1 4.312 0.020 . 1 . . . A 413 GLU HA . 19398 1 873 . 1 1 72 72 GLU HB2 H 1 2.108 0.020 . 2 . . . A 413 GLU HB2 . 19398 1 874 . 1 1 72 72 GLU HB3 H 1 1.943 0.020 . 2 . . . A 413 GLU HB3 . 19398 1 875 . 1 1 72 72 GLU HG2 H 1 2.258 0.020 . 1 . . . A 413 GLU HG2 . 19398 1 876 . 1 1 72 72 GLU HG3 H 1 2.258 0.020 . 1 . . . A 413 GLU HG3 . 19398 1 877 . 1 1 72 72 GLU C C 13 176.948 0.002 . 1 . . . A 413 GLU C . 19398 1 878 . 1 1 72 72 GLU CA C 13 57.164 0.100 . 1 . . . A 413 GLU CA . 19398 1 879 . 1 1 72 72 GLU CB C 13 30.355 0.100 . 1 . . . A 413 GLU CB . 19398 1 880 . 1 1 72 72 GLU CG C 13 36.770 0.100 . 1 . . . A 413 GLU CG . 19398 1 881 . 1 1 72 72 GLU N N 15 121.627 0.100 . 1 . . . A 413 GLU N . 19398 1 882 . 1 1 73 73 GLY H H 1 8.361 0.006 . 1 . . . A 414 GLY H . 19398 1 883 . 1 1 73 73 GLY HA2 H 1 4.066 0.020 . 2 . . . A 414 GLY HA2 . 19398 1 884 . 1 1 73 73 GLY HA3 H 1 3.907 0.020 . 2 . . . A 414 GLY HA3 . 19398 1 885 . 1 1 73 73 GLY C C 13 174.022 0.014 . 1 . . . A 414 GLY C . 19398 1 886 . 1 1 73 73 GLY CA C 13 45.346 0.100 . 1 . . . A 414 GLY CA . 19398 1 887 . 1 1 73 73 GLY N N 15 109.886 0.100 . 1 . . . A 414 GLY N . 19398 1 888 . 1 1 74 74 ALA H H 1 8.303 0.020 . 1 . . . A 415 ALA H . 19398 1 889 . 1 1 74 74 ALA HA H 1 4.305 0.020 . 1 . . . A 415 ALA HA . 19398 1 890 . 1 1 74 74 ALA HB1 H 1 1.372 0.010 . 1 . . . A 415 ALA QB . 19398 1 891 . 1 1 74 74 ALA HB2 H 1 1.372 0.010 . 1 . . . A 415 ALA QB . 19398 1 892 . 1 1 74 74 ALA HB3 H 1 1.372 0.010 . 1 . . . A 415 ALA QB . 19398 1 893 . 1 1 74 74 ALA C C 13 178.680 0.002 . 1 . . . A 415 ALA C . 19398 1 894 . 1 1 74 74 ALA CA C 13 53.090 0.100 . 1 . . . A 415 ALA CA . 19398 1 895 . 1 1 74 74 ALA CB C 13 19.278 0.120 . 1 . . . A 415 ALA CB . 19398 1 896 . 1 1 74 74 ALA N N 15 123.964 0.100 . 1 . . . A 415 ALA N . 19398 1 897 . 1 1 75 75 GLY H H 1 8.490 0.020 . 1 . . . A 416 GLY H . 19398 1 898 . 1 1 75 75 GLY HA2 H 1 4.009 0.020 . 2 . . . A 416 GLY HA2 . 19398 1 899 . 1 1 75 75 GLY HA3 H 1 3.885 0.020 . 2 . . . A 416 GLY HA3 . 19398 1 900 . 1 1 75 75 GLY C C 13 174.696 0.013 . 1 . . . A 416 GLY C . 19398 1 901 . 1 1 75 75 GLY CA C 13 45.989 0.100 . 1 . . . A 416 GLY CA . 19398 1 902 . 1 1 75 75 GLY N N 15 108.791 0.100 . 1 . . . A 416 GLY N . 19398 1 903 . 1 1 76 76 LYS H H 1 8.068 0.020 . 1 . . . A 417 LYS H . 19398 1 904 . 1 1 76 76 LYS HA H 1 4.348 0.005 . 1 . . . A 417 LYS HA . 19398 1 905 . 1 1 76 76 LYS HB2 H 1 1.857 0.001 . 2 . . . A 417 LYS HB2 . 19398 1 906 . 1 1 76 76 LYS HB3 H 1 1.764 0.003 . 2 . . . A 417 LYS HB3 . 19398 1 907 . 1 1 76 76 LYS HG2 H 1 1.413 0.001 . 2 . . . A 417 LYS HG2 . 19398 1 908 . 1 1 76 76 LYS HG3 H 1 1.334 0.002 . 2 . . . A 417 LYS HG3 . 19398 1 909 . 1 1 76 76 LYS HD2 H 1 1.641 0.003 . 1 . . . A 417 LYS HD2 . 19398 1 910 . 1 1 76 76 LYS HD3 H 1 1.641 0.003 . 1 . . . A 417 LYS HD3 . 19398 1 911 . 1 1 76 76 LYS HE2 H 1 2.986 0.001 . 1 . . . A 417 LYS HE2 . 19398 1 912 . 1 1 76 76 LYS HE3 H 1 2.986 0.001 . 1 . . . A 417 LYS HE3 . 19398 1 913 . 1 1 76 76 LYS C C 13 176.718 0.010 . 1 . . . A 417 LYS C . 19398 1 914 . 1 1 76 76 LYS CA C 13 56.258 0.130 . 1 . . . A 417 LYS CA . 19398 1 915 . 1 1 76 76 LYS CB C 13 33.049 0.100 . 1 . . . A 417 LYS CB . 19398 1 916 . 1 1 76 76 LYS CG C 13 25.176 0.100 . 1 . . . A 417 LYS CG . 19398 1 917 . 1 1 76 76 LYS CD C 13 29.381 0.100 . 1 . . . A 417 LYS CD . 19398 1 918 . 1 1 76 76 LYS CE C 13 42.192 0.100 . 1 . . . A 417 LYS CE . 19398 1 919 . 1 1 76 76 LYS N N 15 119.953 0.100 . 1 . . . A 417 LYS N . 19398 1 920 . 1 1 77 77 SER H H 1 8.139 0.011 . 1 . . . A 418 SER H . 19398 1 921 . 1 1 77 77 SER HA H 1 4.470 0.005 . 1 . . . A 418 SER HA . 19398 1 922 . 1 1 77 77 SER HB2 H 1 3.714 0.001 . 1 . . . A 418 SER HB2 . 19398 1 923 . 1 1 77 77 SER HB3 H 1 3.714 0.001 . 1 . . . A 418 SER HB3 . 19398 1 924 . 1 1 77 77 SER C C 13 173.638 0.023 . 1 . . . A 418 SER C . 19398 1 925 . 1 1 77 77 SER CA C 13 58.544 0.066 . 1 . . . A 418 SER CA . 19398 1 926 . 1 1 77 77 SER CB C 13 64.604 0.100 . 1 . . . A 418 SER CB . 19398 1 927 . 1 1 77 77 SER N N 15 116.367 0.100 . 1 . . . A 418 SER N . 19398 1 928 . 1 1 78 78 SER H H 1 8.096 0.018 . 1 . . . A 419 SER H . 19398 1 929 . 1 1 78 78 SER HA H 1 4.698 0.020 . 1 . . . A 419 SER HA . 19398 1 930 . 1 1 78 78 SER HB2 H 1 4.667 0.020 . 1 . . . A 419 SER HB2 . 19398 1 931 . 1 1 78 78 SER HB3 H 1 4.667 0.020 . 1 . . . A 419 SER HB3 . 19398 1 932 . 1 1 78 78 SER C C 13 174.344 0.002 . 1 . . . A 419 SER C . 19398 1 933 . 1 1 78 78 SER CA C 13 58.456 0.100 . 1 . . . A 419 SER CA . 19398 1 934 . 1 1 78 78 SER CB C 13 65.442 0.100 . 1 . . . A 419 SER CB . 19398 1 935 . 1 1 78 78 SER N N 15 116.861 0.100 . 1 . . . A 419 SER N . 19398 1 936 . 1 1 79 79 TRP H H 1 8.526 0.020 . 1 . . . A 420 TRP H . 19398 1 937 . 1 1 79 79 TRP HA H 1 4.731 0.012 . 1 . . . A 420 TRP HA . 19398 1 938 . 1 1 79 79 TRP HB2 H 1 2.922 0.020 . 1 . . . A 420 TRP HB2 . 19398 1 939 . 1 1 79 79 TRP HB3 H 1 2.922 0.020 . 1 . . . A 420 TRP HB3 . 19398 1 940 . 1 1 79 79 TRP HD1 H 1 6.975 0.005 . 1 . . . A 420 TRP HD1 . 19398 1 941 . 1 1 79 79 TRP HE1 H 1 10.203 0.020 . 1 . . . A 420 TRP HE1 . 19398 1 942 . 1 1 79 79 TRP HZ2 H 1 7.426 0.020 . 1 . . . A 420 TRP HZ2 . 19398 1 943 . 1 1 79 79 TRP HH2 H 1 6.937 0.020 . 1 . . . A 420 TRP HH2 . 19398 1 944 . 1 1 79 79 TRP C C 13 175.034 0.100 . 1 . . . A 420 TRP C . 19398 1 945 . 1 1 79 79 TRP CA C 13 57.007 0.100 . 1 . . . A 420 TRP CA . 19398 1 946 . 1 1 79 79 TRP CB C 13 32.803 0.100 . 1 . . . A 420 TRP CB . 19398 1 947 . 1 1 79 79 TRP CD1 C 13 127.114 0.100 . 1 . . . A 420 TRP CD1 . 19398 1 948 . 1 1 79 79 TRP CZ2 C 13 114.755 0.100 . 1 . . . A 420 TRP CZ2 . 19398 1 949 . 1 1 79 79 TRP CH2 C 13 122.572 0.100 . 1 . . . A 420 TRP CH2 . 19398 1 950 . 1 1 79 79 TRP N N 15 121.956 0.100 . 1 . . . A 420 TRP N . 19398 1 951 . 1 1 79 79 TRP NE1 N 15 129.841 0.100 . 1 . . . A 420 TRP NE1 . 19398 1 952 . 1 1 80 80 TRP HA H 1 5.300 0.010 . 1 . . . A 421 TRP HA . 19398 1 953 . 1 1 80 80 TRP HB2 H 1 2.960 0.002 . 1 . . . A 421 TRP HB2 . 19398 1 954 . 1 1 80 80 TRP HB3 H 1 2.960 0.002 . 1 . . . A 421 TRP HB3 . 19398 1 955 . 1 1 80 80 TRP HD1 H 1 6.843 0.020 . 1 . . . A 421 TRP HD1 . 19398 1 956 . 1 1 80 80 TRP HE1 H 1 9.862 0.020 . 1 . . . A 421 TRP HE1 . 19398 1 957 . 1 1 80 80 TRP HE3 H 1 7.220 0.020 . 1 . . . A 421 TRP HE3 . 19398 1 958 . 1 1 80 80 TRP HZ2 H 1 7.330 0.009 . 1 . . . A 421 TRP HZ2 . 19398 1 959 . 1 1 80 80 TRP HZ3 H 1 7.147 0.020 . 1 . . . A 421 TRP HZ3 . 19398 1 960 . 1 1 80 80 TRP HH2 H 1 7.021 0.005 . 1 . . . A 421 TRP HH2 . 19398 1 961 . 1 1 80 80 TRP CA C 13 57.081 0.100 . 1 . . . A 421 TRP CA . 19398 1 962 . 1 1 80 80 TRP CB C 13 31.509 0.100 . 1 . . . A 421 TRP CB . 19398 1 963 . 1 1 80 80 TRP CD1 C 13 125.560 0.100 . 1 . . . A 421 TRP CD1 . 19398 1 964 . 1 1 80 80 TRP CE3 C 13 120.138 0.100 . 1 . . . A 421 TRP CE3 . 19398 1 965 . 1 1 80 80 TRP CZ2 C 13 114.122 0.100 . 1 . . . A 421 TRP CZ2 . 19398 1 966 . 1 1 80 80 TRP CZ3 C 13 122.406 0.100 . 1 . . . A 421 TRP CZ3 . 19398 1 967 . 1 1 80 80 TRP CH2 C 13 124.384 0.100 . 1 . . . A 421 TRP CH2 . 19398 1 968 . 1 1 80 80 TRP NE1 N 15 127.353 0.100 . 1 . . . A 421 TRP NE1 . 19398 1 969 . 1 1 81 81 VAL H H 1 8.947 0.006 . 1 . . . A 422 VAL H . 19398 1 970 . 1 1 81 81 VAL HA H 1 5.206 0.007 . 1 . . . A 422 VAL HA . 19398 1 971 . 1 1 81 81 VAL HB H 1 2.295 0.005 . 1 . . . A 422 VAL HB . 19398 1 972 . 1 1 81 81 VAL HG11 H 1 0.989 0.020 . 2 . . . A 422 VAL QG1 . 19398 1 973 . 1 1 81 81 VAL HG12 H 1 0.989 0.020 . 2 . . . A 422 VAL QG1 . 19398 1 974 . 1 1 81 81 VAL HG13 H 1 0.989 0.020 . 2 . . . A 422 VAL QG1 . 19398 1 975 . 1 1 81 81 VAL HG21 H 1 0.839 0.020 . 2 . . . A 422 VAL QG2 . 19398 1 976 . 1 1 81 81 VAL HG22 H 1 0.839 0.020 . 2 . . . A 422 VAL QG2 . 19398 1 977 . 1 1 81 81 VAL HG23 H 1 0.839 0.020 . 2 . . . A 422 VAL QG2 . 19398 1 978 . 1 1 81 81 VAL C C 13 176.095 0.100 . 1 . . . A 422 VAL C . 19398 1 979 . 1 1 81 81 VAL CA C 13 59.302 0.100 . 1 . . . A 422 VAL CA . 19398 1 980 . 1 1 81 81 VAL CB C 13 37.335 0.100 . 1 . . . A 422 VAL CB . 19398 1 981 . 1 1 81 81 VAL CG1 C 13 22.675 0.100 . 1 . . . A 422 VAL CG1 . 19398 1 982 . 1 1 81 81 VAL CG2 C 13 20.060 0.100 . 1 . . . A 422 VAL CG2 . 19398 1 983 . 1 1 81 81 VAL N N 15 112.446 0.100 . 1 . . . A 422 VAL N . 19398 1 984 . 1 1 82 82 ILE H H 1 8.792 0.005 . 1 . . . A 423 ILE H . 19398 1 985 . 1 1 82 82 ILE HA H 1 4.552 0.005 . 1 . . . A 423 ILE HA . 19398 1 986 . 1 1 82 82 ILE HB H 1 1.854 0.001 . 1 . . . A 423 ILE HB . 19398 1 987 . 1 1 82 82 ILE HG12 H 1 1.796 0.001 . 2 . . . A 423 ILE HG12 . 19398 1 988 . 1 1 82 82 ILE HG13 H 1 1.313 0.002 . 2 . . . A 423 ILE HG13 . 19398 1 989 . 1 1 82 82 ILE HG21 H 1 0.888 0.006 . 1 . . . A 423 ILE QG2 . 19398 1 990 . 1 1 82 82 ILE HG22 H 1 0.888 0.006 . 1 . . . A 423 ILE QG2 . 19398 1 991 . 1 1 82 82 ILE HG23 H 1 0.888 0.006 . 1 . . . A 423 ILE QG2 . 19398 1 992 . 1 1 82 82 ILE HD11 H 1 1.012 0.002 . 1 . . . A 423 ILE QD1 . 19398 1 993 . 1 1 82 82 ILE HD12 H 1 1.012 0.002 . 1 . . . A 423 ILE QD1 . 19398 1 994 . 1 1 82 82 ILE HD13 H 1 1.012 0.002 . 1 . . . A 423 ILE QD1 . 19398 1 995 . 1 1 82 82 ILE C C 13 175.733 0.315 . 1 . . . A 423 ILE C . 19398 1 996 . 1 1 82 82 ILE CA C 13 61.023 0.100 . 1 . . . A 423 ILE CA . 19398 1 997 . 1 1 82 82 ILE CB C 13 38.977 0.100 . 1 . . . A 423 ILE CB . 19398 1 998 . 1 1 82 82 ILE CG1 C 13 29.243 0.100 . 1 . . . A 423 ILE CG1 . 19398 1 999 . 1 1 82 82 ILE CG2 C 13 17.589 0.100 . 1 . . . A 423 ILE CG2 . 19398 1 1000 . 1 1 82 82 ILE CD1 C 13 13.057 0.100 . 1 . . . A 423 ILE CD1 . 19398 1 1001 . 1 1 82 82 ILE N N 15 121.997 0.097 . 1 . . . A 423 ILE N . 19398 1 1002 . 1 1 83 83 ASN H H 1 8.744 0.011 . 1 . . . A 424 ASN H . 19398 1 1003 . 1 1 83 83 ASN HA H 1 4.761 0.008 . 1 . . . A 424 ASN HA . 19398 1 1004 . 1 1 83 83 ASN HB2 H 1 3.063 0.002 . 2 . . . A 424 ASN HB2 . 19398 1 1005 . 1 1 83 83 ASN HB3 H 1 2.361 0.002 . 2 . . . A 424 ASN HB3 . 19398 1 1006 . 1 1 83 83 ASN HD21 H 1 7.679 0.020 . 2 . . . A 424 ASN HD21 . 19398 1 1007 . 1 1 83 83 ASN HD22 H 1 7.087 0.007 . 2 . . . A 424 ASN HD22 . 19398 1 1008 . 1 1 83 83 ASN C C 13 174.915 0.100 . 1 . . . A 424 ASN C . 19398 1 1009 . 1 1 83 83 ASN CA C 13 50.931 0.100 . 1 . . . A 424 ASN CA . 19398 1 1010 . 1 1 83 83 ASN CB C 13 39.277 0.100 . 1 . . . A 424 ASN CB . 19398 1 1011 . 1 1 83 83 ASN N N 15 126.653 0.100 . 1 . . . A 424 ASN N . 19398 1 1012 . 1 1 83 83 ASN ND2 N 15 111.687 0.001 . 1 . . . A 424 ASN ND2 . 19398 1 1013 . 1 1 84 84 PRO HA H 1 4.363 0.004 . 1 . . . A 425 PRO HA . 19398 1 1014 . 1 1 84 84 PRO HB2 H 1 2.304 0.020 . 2 . . . A 425 PRO HB2 . 19398 1 1015 . 1 1 84 84 PRO HB3 H 1 2.012 0.002 . 2 . . . A 425 PRO HB3 . 19398 1 1016 . 1 1 84 84 PRO HG2 H 1 2.009 0.002 . 1 . . . A 425 PRO HG2 . 19398 1 1017 . 1 1 84 84 PRO HG3 H 1 2.009 0.002 . 1 . . . A 425 PRO HG3 . 19398 1 1018 . 1 1 84 84 PRO HD2 H 1 3.981 0.006 . 2 . . . A 425 PRO HD2 . 19398 1 1019 . 1 1 84 84 PRO HD3 H 1 4.121 0.004 . 2 . . . A 425 PRO HD3 . 19398 1 1020 . 1 1 84 84 PRO C C 13 176.912 0.100 . 1 . . . A 425 PRO C . 19398 1 1021 . 1 1 84 84 PRO CA C 13 64.066 0.100 . 1 . . . A 425 PRO CA . 19398 1 1022 . 1 1 84 84 PRO CB C 13 32.750 0.100 . 1 . . . A 425 PRO CB . 19398 1 1023 . 1 1 84 84 PRO CG C 13 27.300 0.100 . 1 . . . A 425 PRO CG . 19398 1 1024 . 1 1 84 84 PRO CD C 13 51.578 0.100 . 1 . . . A 425 PRO CD . 19398 1 1025 . 1 1 85 85 ASP H H 1 7.864 0.007 . 1 . . . A 426 ASP H . 19398 1 1026 . 1 1 85 85 ASP HA H 1 4.623 0.020 . 1 . . . A 426 ASP HA . 19398 1 1027 . 1 1 85 85 ASP HB2 H 1 2.747 0.020 . 2 . . . A 426 ASP HB2 . 19398 1 1028 . 1 1 85 85 ASP HB3 H 1 2.480 0.020 . 2 . . . A 426 ASP HB3 . 19398 1 1029 . 1 1 85 85 ASP C C 13 175.814 0.009 . 1 . . . A 426 ASP C . 19398 1 1030 . 1 1 85 85 ASP CA C 13 54.511 0.100 . 1 . . . A 426 ASP CA . 19398 1 1031 . 1 1 85 85 ASP CB C 13 41.552 0.100 . 1 . . . A 426 ASP CB . 19398 1 1032 . 1 1 85 85 ASP N N 15 118.148 0.100 . 1 . . . A 426 ASP N . 19398 1 1033 . 1 1 86 86 ALA H H 1 7.550 0.012 . 1 . . . A 427 ALA H . 19398 1 1034 . 1 1 86 86 ALA HA H 1 4.239 0.020 . 1 . . . A 427 ALA HA . 19398 1 1035 . 1 1 86 86 ALA HB1 H 1 1.360 0.020 . 1 . . . A 427 ALA QB . 19398 1 1036 . 1 1 86 86 ALA HB2 H 1 1.360 0.020 . 1 . . . A 427 ALA QB . 19398 1 1037 . 1 1 86 86 ALA HB3 H 1 1.360 0.020 . 1 . . . A 427 ALA QB . 19398 1 1038 . 1 1 86 86 ALA C C 13 177.400 0.056 . 1 . . . A 427 ALA C . 19398 1 1039 . 1 1 86 86 ALA CA C 13 52.581 0.100 . 1 . . . A 427 ALA CA . 19398 1 1040 . 1 1 86 86 ALA CB C 13 19.398 0.100 . 1 . . . A 427 ALA CB . 19398 1 1041 . 1 1 86 86 ALA N N 15 123.416 0.100 . 1 . . . A 427 ALA N . 19398 1 1042 . 1 1 87 87 LYS H H 1 8.124 0.006 . 1 . . . A 428 LYS H . 19398 1 1043 . 1 1 87 87 LYS HA H 1 4.580 0.001 . 1 . . . A 428 LYS HA . 19398 1 1044 . 1 1 87 87 LYS HB2 H 1 1.823 0.001 . 2 . . . A 428 LYS HB2 . 19398 1 1045 . 1 1 87 87 LYS HB3 H 1 1.710 0.005 . 2 . . . A 428 LYS HB3 . 19398 1 1046 . 1 1 87 87 LYS HG2 H 1 1.474 0.006 . 2 . . . A 428 LYS HG2 . 19398 1 1047 . 1 1 87 87 LYS HG3 H 1 1.427 0.001 . 2 . . . A 428 LYS HG3 . 19398 1 1048 . 1 1 87 87 LYS HD2 H 1 1.704 0.005 . 1 . . . A 428 LYS HD2 . 19398 1 1049 . 1 1 87 87 LYS HD3 H 1 1.704 0.005 . 1 . . . A 428 LYS HD3 . 19398 1 1050 . 1 1 87 87 LYS HE2 H 1 3.003 0.002 . 1 . . . A 428 LYS HE2 . 19398 1 1051 . 1 1 87 87 LYS HE3 H 1 3.003 0.002 . 1 . . . A 428 LYS HE3 . 19398 1 1052 . 1 1 87 87 LYS C C 13 174.607 0.100 . 1 . . . A 428 LYS C . 19398 1 1053 . 1 1 87 87 LYS CA C 13 54.491 0.100 . 1 . . . A 428 LYS CA . 19398 1 1054 . 1 1 87 87 LYS CB C 13 32.803 0.100 . 1 . . . A 428 LYS CB . 19398 1 1055 . 1 1 87 87 LYS CG C 13 24.711 0.100 . 1 . . . A 428 LYS CG . 19398 1 1056 . 1 1 87 87 LYS CD C 13 29.890 0.100 . 1 . . . A 428 LYS CD . 19398 1 1057 . 1 1 87 87 LYS CE C 13 42.191 0.100 . 1 . . . A 428 LYS CE . 19398 1 1058 . 1 1 87 87 LYS N N 15 121.997 0.100 . 1 . . . A 428 LYS N . 19398 1 1059 . 1 1 88 88 PRO HA H 1 4.426 0.005 . 1 . . . A 429 PRO HA . 19398 1 1060 . 1 1 88 88 PRO HB2 H 1 2.295 0.002 . 2 . . . A 429 PRO HB2 . 19398 1 1061 . 1 1 88 88 PRO HB3 H 1 1.956 0.002 . 2 . . . A 429 PRO HB3 . 19398 1 1062 . 1 1 88 88 PRO HG2 H 1 2.024 0.001 . 1 . . . A 429 PRO HG2 . 19398 1 1063 . 1 1 88 88 PRO HG3 H 1 2.024 0.001 . 1 . . . A 429 PRO HG3 . 19398 1 1064 . 1 1 88 88 PRO HD2 H 1 3.784 0.002 . 2 . . . A 429 PRO HD2 . 19398 1 1065 . 1 1 88 88 PRO HD3 H 1 3.653 0.020 . 2 . . . A 429 PRO HD3 . 19398 1 1066 . 1 1 88 88 PRO C C 13 177.695 0.100 . 1 . . . A 429 PRO C . 19398 1 1067 . 1 1 88 88 PRO CA C 13 63.719 0.026 . 1 . . . A 429 PRO CA . 19398 1 1068 . 1 1 88 88 PRO CB C 13 32.391 0.100 . 1 . . . A 429 PRO CB . 19398 1 1069 . 1 1 88 88 PRO CG C 13 27.790 0.100 . 1 . . . A 429 PRO CG . 19398 1 1070 . 1 1 88 88 PRO CD C 13 51.254 0.100 . 1 . . . A 429 PRO CD . 19398 1 1071 . 1 1 89 89 GLY H H 1 8.477 0.020 . 1 . . . A 430 GLY H . 19398 1 1072 . 1 1 89 89 GLY HA2 H 1 3.962 0.020 . 1 . . . A 430 GLY HA2 . 19398 1 1073 . 1 1 89 89 GLY HA3 H 1 3.962 0.020 . 1 . . . A 430 GLY HA3 . 19398 1 1074 . 1 1 89 89 GLY C C 13 174.142 0.004 . 1 . . . A 430 GLY C . 19398 1 1075 . 1 1 89 89 GLY CA C 13 45.426 0.100 . 1 . . . A 430 GLY CA . 19398 1 1076 . 1 1 89 89 GLY N N 15 109.390 0.100 . 1 . . . A 430 GLY N . 19398 1 1077 . 1 1 90 90 ARG H H 1 8.153 0.020 . 1 . . . A 431 ARG H . 19398 1 1078 . 1 1 90 90 ARG HA H 1 4.343 0.020 . 1 . . . A 431 ARG HA . 19398 1 1079 . 1 1 90 90 ARG HB2 H 1 1.828 0.020 . 1 . . . A 431 ARG HB2 . 19398 1 1080 . 1 1 90 90 ARG HB3 H 1 1.828 0.020 . 1 . . . A 431 ARG HB3 . 19398 1 1081 . 1 1 90 90 ARG HG2 H 1 1.636 0.020 . 1 . . . A 431 ARG HG2 . 19398 1 1082 . 1 1 90 90 ARG HG3 H 1 1.636 0.020 . 1 . . . A 431 ARG HG3 . 19398 1 1083 . 1 1 90 90 ARG HD2 H 1 3.215 0.020 . 1 . . . A 431 ARG HD2 . 19398 1 1084 . 1 1 90 90 ARG HD3 H 1 3.215 0.020 . 1 . . . A 431 ARG HD3 . 19398 1 1085 . 1 1 90 90 ARG C C 13 176.022 0.022 . 1 . . . A 431 ARG C . 19398 1 1086 . 1 1 90 90 ARG CA C 13 56.065 0.100 . 1 . . . A 431 ARG CA . 19398 1 1087 . 1 1 90 90 ARG CB C 13 31.193 0.120 . 1 . . . A 431 ARG CB . 19398 1 1088 . 1 1 90 90 ARG CG C 13 27.719 0.055 . 1 . . . A 431 ARG CG . 19398 1 1089 . 1 1 90 90 ARG CD C 13 43.856 0.107 . 1 . . . A 431 ARG CD . 19398 1 1090 . 1 1 90 90 ARG N N 15 120.364 0.100 . 1 . . . A 431 ARG N . 19398 1 1091 . 1 1 91 91 ASN H H 1 8.574 0.020 . 1 . . . A 432 ASN H . 19398 1 1092 . 1 1 91 91 ASN HA H 1 4.976 0.020 . 1 . . . A 432 ASN HA . 19398 1 1093 . 1 1 91 91 ASN HB2 H 1 2.843 0.003 . 2 . . . A 432 ASN HB2 . 19398 1 1094 . 1 1 91 91 ASN HB3 H 1 2.719 0.001 . 2 . . . A 432 ASN HB3 . 19398 1 1095 . 1 1 91 91 ASN CA C 13 51.578 0.100 . 1 . . . A 432 ASN CA . 19398 1 1096 . 1 1 91 91 ASN CB C 13 39.277 0.100 . 1 . . . A 432 ASN CB . 19398 1 1097 . 1 1 91 91 ASN N N 15 121.167 0.100 . 1 . . . A 432 ASN N . 19398 1 1098 . 1 1 92 92 PRO HA H 1 4.426 0.004 . 1 . . . A 433 PRO HA . 19398 1 1099 . 1 1 92 92 PRO HB2 H 1 2.296 0.002 . 2 . . . A 433 PRO HB2 . 19398 1 1100 . 1 1 92 92 PRO HB3 H 1 1.954 0.002 . 2 . . . A 433 PRO HB3 . 19398 1 1101 . 1 1 92 92 PRO HG2 H 1 2.023 0.020 . 1 . . . A 433 PRO HG2 . 19398 1 1102 . 1 1 92 92 PRO HG3 H 1 2.023 0.020 . 1 . . . A 433 PRO HG3 . 19398 1 1103 . 1 1 92 92 PRO HD2 H 1 3.780 0.003 . 1 . . . A 433 PRO HD2 . 19398 1 1104 . 1 1 92 92 PRO HD3 H 1 3.780 0.003 . 1 . . . A 433 PRO HD3 . 19398 1 1105 . 1 1 92 92 PRO C C 13 177.031 0.100 . 1 . . . A 433 PRO C . 19398 1 1106 . 1 1 92 92 PRO CA C 13 63.692 0.100 . 1 . . . A 433 PRO CA . 19398 1 1107 . 1 1 92 92 PRO CB C 13 32.391 0.100 . 1 . . . A 433 PRO CB . 19398 1 1108 . 1 1 92 92 PRO CG C 13 27.790 0.100 . 1 . . . A 433 PRO CG . 19398 1 1109 . 1 1 92 92 PRO CD C 13 50.931 0.100 . 1 . . . A 433 PRO CD . 19398 1 1110 . 1 1 93 93 ARG H H 1 8.327 0.020 . 1 . . . A 434 ARG H . 19398 1 1111 . 1 1 93 93 ARG HA H 1 4.339 0.001 . 1 . . . A 434 ARG HA . 19398 1 1112 . 1 1 93 93 ARG HB2 H 1 1.814 0.020 . 1 . . . A 434 ARG HB2 . 19398 1 1113 . 1 1 93 93 ARG HB3 H 1 1.814 0.020 . 1 . . . A 434 ARG HB3 . 19398 1 1114 . 1 1 93 93 ARG HG2 H 1 1.635 0.001 . 1 . . . A 434 ARG HG2 . 19398 1 1115 . 1 1 93 93 ARG HG3 H 1 1.635 0.001 . 1 . . . A 434 ARG HG3 . 19398 1 1116 . 1 1 93 93 ARG HD2 H 1 3.215 0.002 . 1 . . . A 434 ARG HD2 . 19398 1 1117 . 1 1 93 93 ARG HD3 H 1 3.215 0.002 . 1 . . . A 434 ARG HD3 . 19398 1 1118 . 1 1 93 93 ARG C C 13 176.513 0.007 . 1 . . . A 434 ARG C . 19398 1 1119 . 1 1 93 93 ARG CA C 13 56.562 0.068 . 1 . . . A 434 ARG CA . 19398 1 1120 . 1 1 93 93 ARG CB C 13 30.954 0.100 . 1 . . . A 434 ARG CB . 19398 1 1121 . 1 1 93 93 ARG CG C 13 27.790 0.100 . 1 . . . A 434 ARG CG . 19398 1 1122 . 1 1 93 93 ARG CD C 13 44.159 0.100 . 1 . . . A 434 ARG CD . 19398 1 1123 . 1 1 93 93 ARG N N 15 120.613 0.100 . 1 . . . A 434 ARG N . 19398 1 1124 . 1 1 94 94 ARG H H 1 8.243 0.020 . 1 . . . A 435 ARG H . 19398 1 1125 . 1 1 94 94 ARG HA H 1 4.344 0.004 . 1 . . . A 435 ARG HA . 19398 1 1126 . 1 1 94 94 ARG HB2 H 1 1.858 0.002 . 2 . . . A 435 ARG HB2 . 19398 1 1127 . 1 1 94 94 ARG HB3 H 1 1.773 0.003 . 2 . . . A 435 ARG HB3 . 19398 1 1128 . 1 1 94 94 ARG HG2 H 1 1.640 0.005 . 1 . . . A 435 ARG HG2 . 19398 1 1129 . 1 1 94 94 ARG HG3 H 1 1.640 0.005 . 1 . . . A 435 ARG HG3 . 19398 1 1130 . 1 1 94 94 ARG HD2 H 1 3.212 0.003 . 1 . . . A 435 ARG HD2 . 19398 1 1131 . 1 1 94 94 ARG HD3 H 1 3.212 0.003 . 1 . . . A 435 ARG HD3 . 19398 1 1132 . 1 1 94 94 ARG C C 13 176.266 0.001 . 1 . . . A 435 ARG C . 19398 1 1133 . 1 1 94 94 ARG CA C 13 56.351 0.103 . 1 . . . A 435 ARG CA . 19398 1 1134 . 1 1 94 94 ARG CB C 13 31.119 0.058 . 1 . . . A 435 ARG CB . 19398 1 1135 . 1 1 94 94 ARG CG C 13 27.676 0.100 . 1 . . . A 435 ARG CG . 19398 1 1136 . 1 1 94 94 ARG CD C 13 44.083 0.107 . 1 . . . A 435 ARG CD . 19398 1 1137 . 1 1 94 94 ARG N N 15 122.190 0.100 . 1 . . . A 435 ARG N . 19398 1 1138 . 1 1 95 95 GLN H H 1 8.431 0.006 . 1 . . . A 436 GLN H . 19398 1 1139 . 1 1 95 95 GLN HA H 1 4.342 0.020 . 1 . . . A 436 GLN HA . 19398 1 1140 . 1 1 95 95 GLN HB2 H 1 2.118 0.020 . 2 . . . A 436 GLN HB2 . 19398 1 1141 . 1 1 95 95 GLN HB3 H 1 2.006 0.020 . 2 . . . A 436 GLN HB3 . 19398 1 1142 . 1 1 95 95 GLN HG2 H 1 2.386 0.001 . 1 . . . A 436 GLN HG2 . 19398 1 1143 . 1 1 95 95 GLN HG3 H 1 2.386 0.001 . 1 . . . A 436 GLN HG3 . 19398 1 1144 . 1 1 95 95 GLN C C 13 176.022 0.022 . 1 . . . A 436 GLN C . 19398 1 1145 . 1 1 95 95 GLN CA C 13 56.039 0.100 . 1 . . . A 436 GLN CA . 19398 1 1146 . 1 1 95 95 GLN CB C 13 29.816 0.100 . 1 . . . A 436 GLN CB . 19398 1 1147 . 1 1 95 95 GLN CG C 13 34.497 0.100 . 1 . . . A 436 GLN CG . 19398 1 1148 . 1 1 95 95 GLN N N 15 122.119 0.100 . 1 . . . A 436 GLN N . 19398 1 1149 . 1 1 96 96 ARG H H 1 8.480 0.020 . 1 . . . A 437 ARG H . 19398 1 1150 . 1 1 96 96 ARG HA H 1 4.338 0.020 . 1 . . . A 437 ARG HA . 19398 1 1151 . 1 1 96 96 ARG HB2 H 1 1.859 0.020 . 2 . . . A 437 ARG HB2 . 19398 1 1152 . 1 1 96 96 ARG HB3 H 1 1.777 0.020 . 2 . . . A 437 ARG HB3 . 19398 1 1153 . 1 1 96 96 ARG HG2 H 1 1.636 0.020 . 1 . . . A 437 ARG HG2 . 19398 1 1154 . 1 1 96 96 ARG HG3 H 1 1.636 0.020 . 1 . . . A 437 ARG HG3 . 19398 1 1155 . 1 1 96 96 ARG HD2 H 1 3.214 0.020 . 1 . . . A 437 ARG HD2 . 19398 1 1156 . 1 1 96 96 ARG HD3 H 1 3.214 0.020 . 1 . . . A 437 ARG HD3 . 19398 1 1157 . 1 1 96 96 ARG C C 13 176.402 0.001 . 1 . . . A 437 ARG C . 19398 1 1158 . 1 1 96 96 ARG CA C 13 56.629 0.100 . 1 . . . A 437 ARG CA . 19398 1 1159 . 1 1 96 96 ARG CB C 13 31.074 0.100 . 1 . . . A 437 ARG CB . 19398 1 1160 . 1 1 96 96 ARG CG C 13 27.676 0.100 . 1 . . . A 437 ARG CG . 19398 1 1161 . 1 1 96 96 ARG CD C 13 44.159 0.100 . 1 . . . A 437 ARG CD . 19398 1 1162 . 1 1 96 96 ARG N N 15 122.860 0.100 . 1 . . . A 437 ARG N . 19398 1 1163 . 1 1 97 97 SER H H 1 8.390 0.020 . 1 . . . A 438 SER H . 19398 1 1164 . 1 1 97 97 SER HA H 1 4.467 0.004 . 1 . . . A 438 SER HA . 19398 1 1165 . 1 1 97 97 SER HB2 H 1 3.893 0.001 . 1 . . . A 438 SER HB2 . 19398 1 1166 . 1 1 97 97 SER HB3 H 1 3.893 0.001 . 1 . . . A 438 SER HB3 . 19398 1 1167 . 1 1 97 97 SER C C 13 174.389 0.013 . 1 . . . A 438 SER C . 19398 1 1168 . 1 1 97 97 SER CA C 13 58.522 0.063 . 1 . . . A 438 SER CA . 19398 1 1169 . 1 1 97 97 SER CB C 13 64.364 0.100 . 1 . . . A 438 SER CB . 19398 1 1170 . 1 1 97 97 SER N N 15 117.240 0.100 . 1 . . . A 438 SER N . 19398 1 1171 . 1 1 98 98 ALA H H 1 8.446 0.020 . 1 . . . A 439 ALA H . 19398 1 1172 . 1 1 98 98 ALA HA H 1 4.399 0.020 . 1 . . . A 439 ALA HA . 19398 1 1173 . 1 1 98 98 ALA HB1 H 1 1.438 0.001 . 1 . . . A 439 ALA QB . 19398 1 1174 . 1 1 98 98 ALA HB2 H 1 1.438 0.001 . 1 . . . A 439 ALA QB . 19398 1 1175 . 1 1 98 98 ALA HB3 H 1 1.438 0.001 . 1 . . . A 439 ALA QB . 19398 1 1176 . 1 1 98 98 ALA C C 13 177.887 0.005 . 1 . . . A 439 ALA C . 19398 1 1177 . 1 1 98 98 ALA CA C 13 52.984 0.100 . 1 . . . A 439 ALA CA . 19398 1 1178 . 1 1 98 98 ALA CB C 13 19.757 0.100 . 1 . . . A 439 ALA CB . 19398 1 1179 . 1 1 98 98 ALA N N 15 126.108 0.100 . 1 . . . A 439 ALA N . 19398 1 1180 . 1 1 99 99 THR H H 1 8.090 0.020 . 1 . . . A 440 THR H . 19398 1 1181 . 1 1 99 99 THR HA H 1 4.339 0.020 . 1 . . . A 440 THR HA . 19398 1 1182 . 1 1 99 99 THR HB H 1 4.231 0.020 . 1 . . . A 440 THR HB . 19398 1 1183 . 1 1 99 99 THR HG21 H 1 1.214 0.020 . 1 . . . A 440 THR QG2 . 19398 1 1184 . 1 1 99 99 THR HG22 H 1 1.214 0.020 . 1 . . . A 440 THR QG2 . 19398 1 1185 . 1 1 99 99 THR HG23 H 1 1.214 0.020 . 1 . . . A 440 THR QG2 . 19398 1 1186 . 1 1 99 99 THR C C 13 174.432 0.005 . 1 . . . A 440 THR C . 19398 1 1187 . 1 1 99 99 THR CA C 13 61.989 0.100 . 1 . . . A 440 THR CA . 19398 1 1188 . 1 1 99 99 THR CB C 13 70.292 0.100 . 1 . . . A 440 THR CB . 19398 1 1189 . 1 1 99 99 THR CG2 C 13 21.993 0.100 . 1 . . . A 440 THR CG2 . 19398 1 1190 . 1 1 99 99 THR N N 15 112.958 0.100 . 1 . . . A 440 THR N . 19398 1 1191 . 1 1 100 100 LEU H H 1 8.232 0.006 . 1 . . . A 441 LEU H . 19398 1 1192 . 1 1 100 100 LEU HA H 1 4.397 0.020 . 1 . . . A 441 LEU HA . 19398 1 1193 . 1 1 100 100 LEU HB2 H 1 1.643 0.005 . 1 . . . A 441 LEU HB2 . 19398 1 1194 . 1 1 100 100 LEU HB3 H 1 1.643 0.005 . 1 . . . A 441 LEU HB3 . 19398 1 1195 . 1 1 100 100 LEU HG H 1 1.636 0.020 . 1 . . . A 441 LEU HG . 19398 1 1196 . 1 1 100 100 LEU HD11 H 1 0.936 0.020 . 2 . . . A 441 LEU QD1 . 19398 1 1197 . 1 1 100 100 LEU HD12 H 1 0.936 0.020 . 2 . . . A 441 LEU QD1 . 19398 1 1198 . 1 1 100 100 LEU HD13 H 1 0.936 0.020 . 2 . . . A 441 LEU QD1 . 19398 1 1199 . 1 1 100 100 LEU HD21 H 1 0.874 0.020 . 2 . . . A 441 LEU QD2 . 19398 1 1200 . 1 1 100 100 LEU HD22 H 1 0.874 0.020 . 2 . . . A 441 LEU QD2 . 19398 1 1201 . 1 1 100 100 LEU HD23 H 1 0.874 0.020 . 2 . . . A 441 LEU QD2 . 19398 1 1202 . 1 1 100 100 LEU C C 13 176.342 0.010 . 1 . . . A 441 LEU C . 19398 1 1203 . 1 1 100 100 LEU CA C 13 55.503 0.100 . 1 . . . A 441 LEU CA . 19398 1 1204 . 1 1 100 100 LEU CB C 13 42.630 0.100 . 1 . . . A 441 LEU CB . 19398 1 1205 . 1 1 100 100 LEU CG C 13 27.563 0.100 . 1 . . . A 441 LEU CG . 19398 1 1206 . 1 1 100 100 LEU CD1 C 13 25.289 0.100 . 1 . . . A 441 LEU CD1 . 19398 1 1207 . 1 1 100 100 LEU CD2 C 13 24.039 0.100 . 1 . . . A 441 LEU CD2 . 19398 1 1208 . 1 1 100 100 LEU N N 15 124.863 0.100 . 1 . . . A 441 LEU N . 19398 1 1209 . 1 1 101 101 GLU H H 1 7.891 0.020 . 1 . . . A 442 GLU H . 19398 1 1210 . 1 1 101 101 GLU HA H 1 4.132 0.020 . 1 . . . A 442 GLU HA . 19398 1 1211 . 1 1 101 101 GLU HB2 H 1 2.054 0.001 . 2 . . . A 442 GLU HB2 . 19398 1 1212 . 1 1 101 101 GLU HB3 H 1 1.891 0.003 . 2 . . . A 442 GLU HB3 . 19398 1 1213 . 1 1 101 101 GLU HG2 H 1 2.201 0.020 . 1 . . . A 442 GLU HG2 . 19398 1 1214 . 1 1 101 101 GLU HG3 H 1 2.201 0.020 . 1 . . . A 442 GLU HG3 . 19398 1 1215 . 1 1 101 101 GLU C C 13 181.073 0.100 . 1 . . . A 442 GLU C . 19398 1 1216 . 1 1 101 101 GLU CA C 13 58.052 0.100 . 1 . . . A 442 GLU CA . 19398 1 1217 . 1 1 101 101 GLU CB C 13 31.509 0.100 . 1 . . . A 442 GLU CB . 19398 1 1218 . 1 1 101 101 GLU CG C 13 37.012 0.100 . 1 . . . A 442 GLU CG . 19398 1 1219 . 1 1 101 101 GLU N N 15 126.710 0.100 . 1 . . . A 442 GLU N . 19398 1 stop_ save_