data_11427 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11427 _Entry.Title ; NMR assignments of ubiquitin fold domain (UFD) in SUMO-activating enzyme subunit 2 from rice ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-10 _Entry.Accession_date 2011-02-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rintaro Suzuki . . . 11427 2 Wataru Tsuchiya . . . 11427 3 Heisaburo Shindo . . . 11427 4 Toshimasa Yamazaki . . . 11427 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Res. Unit, National Institute of Agrobiological Sciences' . 11427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 11427 '15N chemical shifts' 124 11427 '1H chemical shifts' 865 11427 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-07-01 2011-02-10 update BMRB 'update entry citation' 11427 1 . . 2011-05-29 2011-02-10 original author 'original release' 11427 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11427 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21523438 _Citation.Full_citation . _Citation.Title 'NMR assignments of ubiquitin fold domain (UFD) in SUMO-activating enzyme subunit 2 from rice.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2011 _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 Rintaro Suzuki . . . 11427 1 2 Wataru Tsuchiya . . . 11427 1 3 Heisaburo Shindo . . . 11427 1 4 Toshimasa Yamazaki . . . 11427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11427 _Assembly.ID 1 _Assembly.Name SAE2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SAE2 1 $SAE2 A . yes native no no . . . 11427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAE2 _Entity.Sf_category entity _Entity.Sf_framecode SAE2 _Entity.Entry_ID 11427 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SAE2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSSETPLLLEVNTKTTK LREVIEKIIKSKLGMNLPLV MIGSTLVFEDGEGLEEDEAA NYALNLEKVLAELPAPVVND TKLTVEDFQQELSCSINIKH RDEFDEEKEPDGMVLSGWSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 431-435 represent a non-native sequence from affinity tag.' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ubiquitin fold domain (UFD)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no GB EEC82353 . "hypothetical protein OsI_26664 [Oryza sativa Indica Group]" . . . . . 95.83 634 100.00 100.00 1.02e-69 . . . . 11427 1 no GB EEE67493 . "hypothetical protein OsJ_24922 [Oryza sativa Japonica Group]" . . . . . 95.83 634 100.00 100.00 1.19e-69 . . . . 11427 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 1 431 GLY . 11427 1 2 432 PRO . 11427 1 3 433 LEU . 11427 1 4 434 GLY . 11427 1 5 435 SER . 11427 1 6 436 SER . 11427 1 7 437 GLU . 11427 1 8 438 THR . 11427 1 9 439 PRO . 11427 1 10 440 LEU . 11427 1 11 441 LEU . 11427 1 12 442 LEU . 11427 1 13 443 GLU . 11427 1 14 444 VAL . 11427 1 15 445 ASN . 11427 1 16 446 THR . 11427 1 17 447 LYS . 11427 1 18 448 THR . 11427 1 19 449 THR . 11427 1 20 450 LYS . 11427 1 21 451 LEU . 11427 1 22 452 ARG . 11427 1 23 453 GLU . 11427 1 24 454 VAL . 11427 1 25 455 ILE . 11427 1 26 456 GLU . 11427 1 27 457 LYS . 11427 1 28 458 ILE . 11427 1 29 459 ILE . 11427 1 30 460 LYS . 11427 1 31 461 SER . 11427 1 32 462 LYS . 11427 1 33 463 LEU . 11427 1 34 464 GLY . 11427 1 35 465 MET . 11427 1 36 466 ASN . 11427 1 37 467 LEU . 11427 1 38 468 PRO . 11427 1 39 469 LEU . 11427 1 40 470 VAL . 11427 1 41 471 MET . 11427 1 42 472 ILE . 11427 1 43 473 GLY . 11427 1 44 474 SER . 11427 1 45 475 THR . 11427 1 46 476 LEU . 11427 1 47 477 VAL . 11427 1 48 478 PHE . 11427 1 49 479 GLU . 11427 1 50 480 ASP . 11427 1 51 481 GLY . 11427 1 52 482 GLU . 11427 1 53 483 GLY . 11427 1 54 484 LEU . 11427 1 55 485 GLU . 11427 1 56 486 GLU . 11427 1 57 487 ASP . 11427 1 58 488 GLU . 11427 1 59 489 ALA . 11427 1 60 490 ALA . 11427 1 61 491 ASN . 11427 1 62 492 TYR . 11427 1 63 493 ALA . 11427 1 64 494 LEU . 11427 1 65 495 ASN . 11427 1 66 496 LEU . 11427 1 67 497 GLU . 11427 1 68 498 LYS . 11427 1 69 499 VAL . 11427 1 70 500 LEU . 11427 1 71 501 ALA . 11427 1 72 502 GLU . 11427 1 73 503 LEU . 11427 1 74 504 PRO . 11427 1 75 505 ALA . 11427 1 76 506 PRO . 11427 1 77 507 VAL . 11427 1 78 508 VAL . 11427 1 79 509 ASN . 11427 1 80 510 ASP . 11427 1 81 511 THR . 11427 1 82 512 LYS . 11427 1 83 513 LEU . 11427 1 84 514 THR . 11427 1 85 515 VAL . 11427 1 86 516 GLU . 11427 1 87 517 ASP . 11427 1 88 518 PHE . 11427 1 89 519 GLN . 11427 1 90 520 GLN . 11427 1 91 521 GLU . 11427 1 92 522 LEU . 11427 1 93 523 SER . 11427 1 94 524 CYS . 11427 1 95 525 SER . 11427 1 96 526 ILE . 11427 1 97 527 ASN . 11427 1 98 528 ILE . 11427 1 99 529 LYS . 11427 1 100 530 HIS . 11427 1 101 531 ARG . 11427 1 102 532 ASP . 11427 1 103 533 GLU . 11427 1 104 534 PHE . 11427 1 105 535 ASP . 11427 1 106 536 GLU . 11427 1 107 537 GLU . 11427 1 108 538 LYS . 11427 1 109 539 GLU . 11427 1 110 540 PRO . 11427 1 111 541 ASP . 11427 1 112 542 GLY . 11427 1 113 543 MET . 11427 1 114 544 VAL . 11427 1 115 545 LEU . 11427 1 116 546 SER . 11427 1 117 547 GLY . 11427 1 118 548 TRP . 11427 1 119 549 SER . 11427 1 120 550 ALA . 11427 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11427 1 . PRO 2 2 11427 1 . LEU 3 3 11427 1 . GLY 4 4 11427 1 . SER 5 5 11427 1 . SER 6 6 11427 1 . GLU 7 7 11427 1 . THR 8 8 11427 1 . PRO 9 9 11427 1 . LEU 10 10 11427 1 . LEU 11 11 11427 1 . LEU 12 12 11427 1 . GLU 13 13 11427 1 . VAL 14 14 11427 1 . ASN 15 15 11427 1 . THR 16 16 11427 1 . LYS 17 17 11427 1 . THR 18 18 11427 1 . THR 19 19 11427 1 . LYS 20 20 11427 1 . LEU 21 21 11427 1 . ARG 22 22 11427 1 . GLU 23 23 11427 1 . VAL 24 24 11427 1 . ILE 25 25 11427 1 . GLU 26 26 11427 1 . LYS 27 27 11427 1 . ILE 28 28 11427 1 . ILE 29 29 11427 1 . LYS 30 30 11427 1 . SER 31 31 11427 1 . LYS 32 32 11427 1 . LEU 33 33 11427 1 . GLY 34 34 11427 1 . MET 35 35 11427 1 . ASN 36 36 11427 1 . LEU 37 37 11427 1 . PRO 38 38 11427 1 . LEU 39 39 11427 1 . VAL 40 40 11427 1 . MET 41 41 11427 1 . ILE 42 42 11427 1 . GLY 43 43 11427 1 . SER 44 44 11427 1 . THR 45 45 11427 1 . LEU 46 46 11427 1 . VAL 47 47 11427 1 . PHE 48 48 11427 1 . GLU 49 49 11427 1 . ASP 50 50 11427 1 . GLY 51 51 11427 1 . GLU 52 52 11427 1 . GLY 53 53 11427 1 . LEU 54 54 11427 1 . GLU 55 55 11427 1 . GLU 56 56 11427 1 . ASP 57 57 11427 1 . GLU 58 58 11427 1 . ALA 59 59 11427 1 . ALA 60 60 11427 1 . ASN 61 61 11427 1 . TYR 62 62 11427 1 . ALA 63 63 11427 1 . LEU 64 64 11427 1 . ASN 65 65 11427 1 . LEU 66 66 11427 1 . GLU 67 67 11427 1 . LYS 68 68 11427 1 . VAL 69 69 11427 1 . LEU 70 70 11427 1 . ALA 71 71 11427 1 . GLU 72 72 11427 1 . LEU 73 73 11427 1 . PRO 74 74 11427 1 . ALA 75 75 11427 1 . PRO 76 76 11427 1 . VAL 77 77 11427 1 . VAL 78 78 11427 1 . ASN 79 79 11427 1 . ASP 80 80 11427 1 . THR 81 81 11427 1 . LYS 82 82 11427 1 . LEU 83 83 11427 1 . THR 84 84 11427 1 . VAL 85 85 11427 1 . GLU 86 86 11427 1 . ASP 87 87 11427 1 . PHE 88 88 11427 1 . GLN 89 89 11427 1 . GLN 90 90 11427 1 . GLU 91 91 11427 1 . LEU 92 92 11427 1 . SER 93 93 11427 1 . CYS 94 94 11427 1 . SER 95 95 11427 1 . ILE 96 96 11427 1 . ASN 97 97 11427 1 . ILE 98 98 11427 1 . LYS 99 99 11427 1 . HIS 100 100 11427 1 . ARG 101 101 11427 1 . ASP 102 102 11427 1 . GLU 103 103 11427 1 . PHE 104 104 11427 1 . ASP 105 105 11427 1 . GLU 106 106 11427 1 . GLU 107 107 11427 1 . LYS 108 108 11427 1 . GLU 109 109 11427 1 . PRO 110 110 11427 1 . ASP 111 111 11427 1 . GLY 112 112 11427 1 . MET 113 113 11427 1 . VAL 114 114 11427 1 . LEU 115 115 11427 1 . SER 116 116 11427 1 . GLY 117 117 11427 1 . TRP 118 118 11427 1 . SER 119 119 11427 1 . ALA 120 120 11427 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 11427 _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 $SAE2 . 4530 organism . 'Oryza sativa' rice . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 11427 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 11427 _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 $SAE2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P-3 . . . . . . 11427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11427 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SAE2 '[U-13C; U-15N]' . . 1 $SAE2 . protein 1.28 . . mM . . . . 11427 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11427 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11427 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11427 1 5 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11427 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11427 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SAE2 '[U-13C; U-15N]' . . 1 $SAE2 . protein 1.18 . . mM . . . . 11427 2 2 'potassium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11427 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11427 2 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11427 2 5 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11427 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11427 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 11427 1 pressure 1 . atm 11427 1 temperature 298 . K 11427 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11427 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11427 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11427 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11427 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'released at Feb 10, 2006' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11427 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11427 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11427 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11427 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11427 3 'peak picking' 11427 3 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 11427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 11427 _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 DMX . 750 . . . 11427 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 11427 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 6 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 7 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 12 '3D 15N-separated NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 13 '3D 13C/15N-separated NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 1 14 '3D 13C-separated NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11427 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 11427 _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 TSP 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . . . . . 11427 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 11427 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 11427 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 11427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11427 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11427 1 3 '3D HNCO' 1 $sample_1 isotropic 11427 1 4 '3D CBCA(CO)NH' 2 $sample_2 isotropic 11427 1 5 '3D HNCA' 1 $sample_1 isotropic 11427 1 6 '3D HNHB' 2 $sample_2 isotropic 11427 1 7 '3D HCACO' 2 $sample_2 isotropic 11427 1 8 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11427 1 9 '3D C(CO)NH' 2 $sample_2 isotropic 11427 1 10 '3D H(CCO)NH' 2 $sample_2 isotropic 11427 1 11 '3D HBHA(CO)NH' 2 $sample_2 isotropic 11427 1 12 '3D 15N-separated NOESY-HSQC' 1 $sample_1 isotropic 11427 1 13 '3D 13C/15N-separated NOESY-HSQC' 1 $sample_1 isotropic 11427 1 14 '3D 13C-separated NOESY-HSQC' 2 $sample_2 isotropic 11427 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 GLY HA2 H 1 3.935 0.002 7 2 . . . . 431 GLY HA2 . 11427 1 2 . 1 1 1 1 GLY HA3 H 1 3.906 0.004 7 2 . . . . 431 GLY HA3 . 11427 1 3 . 1 1 1 1 GLY CA C 13 43.110 0.026 14 1 . . . . 431 GLY CA . 11427 1 4 . 1 1 2 2 PRO HA H 1 4.506 0.007 29 1 . . . . 432 PRO HA . 11427 1 5 . 1 1 2 2 PRO HB2 H 1 2.277 0.008 16 2 . . . . 432 PRO HB2 . 11427 1 6 . 1 1 2 2 PRO HB3 H 1 1.941 0.009 15 2 . . . . 432 PRO HB3 . 11427 1 7 . 1 1 2 2 PRO HD2 H 1 3.561 0.002 10 2 . . . . 432 PRO HD2 . 11427 1 8 . 1 1 2 2 PRO HD3 H 1 3.516 0.002 11 2 . . . . 432 PRO HD3 . 11427 1 9 . 1 1 2 2 PRO HG2 H 1 1.990 0.005 17 2 . . . . 432 PRO QG . 11427 1 10 . 1 1 2 2 PRO HG3 H 1 1.990 0.005 17 2 . . . . 432 PRO QG . 11427 1 11 . 1 1 2 2 PRO C C 13 176.724 0.007 4 1 . . . . 432 PRO C . 11427 1 12 . 1 1 2 2 PRO CA C 13 62.673 0.103 18 1 . . . . 432 PRO CA . 11427 1 13 . 1 1 2 2 PRO CB C 13 32.000 0.058 15 1 . . . . 432 PRO CB . 11427 1 14 . 1 1 2 2 PRO CD C 13 49.420 0.097 19 1 . . . . 432 PRO CD . 11427 1 15 . 1 1 2 2 PRO CG C 13 26.744 0.043 10 1 . . . . 432 PRO CG . 11427 1 16 . 1 1 3 3 LEU H H 1 8.503 0.005 47 1 . . . . 433 LEU H . 11427 1 17 . 1 1 3 3 LEU HA H 1 4.356 0.009 20 1 . . . . 433 LEU HA . 11427 1 18 . 1 1 3 3 LEU HB2 H 1 1.636 0.004 5 2 . . . . 433 LEU HB2 . 11427 1 19 . 1 1 3 3 LEU HB3 H 1 1.590 0.005 5 2 . . . . 433 LEU HB3 . 11427 1 20 . 1 1 3 3 LEU HD11 H 1 0.887 0.007 3 2 . . . . 433 LEU MD1 . 11427 1 21 . 1 1 3 3 LEU HD12 H 1 0.887 0.007 3 2 . . . . 433 LEU MD1 . 11427 1 22 . 1 1 3 3 LEU HD13 H 1 0.887 0.007 3 2 . . . . 433 LEU MD1 . 11427 1 23 . 1 1 3 3 LEU HD21 H 1 0.849 0.006 6 2 . . . . 433 LEU MD2 . 11427 1 24 . 1 1 3 3 LEU HD22 H 1 0.849 0.006 6 2 . . . . 433 LEU MD2 . 11427 1 25 . 1 1 3 3 LEU HD23 H 1 0.849 0.006 6 2 . . . . 433 LEU MD2 . 11427 1 26 . 1 1 3 3 LEU HG H 1 1.629 0.008 10 1 . . . . 433 LEU HG . 11427 1 27 . 1 1 3 3 LEU C C 13 177.459 0.011 4 1 . . . . 433 LEU C . 11427 1 28 . 1 1 3 3 LEU CA C 13 55.138 0.078 12 1 . . . . 433 LEU CA . 11427 1 29 . 1 1 3 3 LEU CB C 13 42.036 0.070 15 1 . . . . 433 LEU CB . 11427 1 30 . 1 1 3 3 LEU CD1 C 13 24.747 0.075 3 2 . . . . 433 LEU CD1 . 11427 1 31 . 1 1 3 3 LEU CD2 C 13 23.659 0.117 5 2 . . . . 433 LEU CD2 . 11427 1 32 . 1 1 3 3 LEU CG C 13 26.711 0.142 9 1 . . . . 433 LEU CG . 11427 1 33 . 1 1 3 3 LEU N N 15 122.266 0.044 42 1 . . . . 433 LEU N . 11427 1 34 . 1 1 4 4 GLY H H 1 8.474 0.007 39 1 . . . . 434 GLY H . 11427 1 35 . 1 1 4 4 GLY HA2 H 1 4.086 0.013 2 2 . . . . 434 GLY HA2 . 11427 1 36 . 1 1 4 4 GLY HA3 H 1 3.994 0.010 7 2 . . . . 434 GLY HA3 . 11427 1 37 . 1 1 4 4 GLY C C 13 173.802 0.021 5 1 . . . . 434 GLY C . 11427 1 38 . 1 1 4 4 GLY CA C 13 44.981 0.061 10 1 . . . . 434 GLY CA . 11427 1 39 . 1 1 4 4 GLY N N 15 110.006 0.032 35 1 . . . . 434 GLY N . 11427 1 40 . 1 1 5 5 SER H H 1 8.182 0.005 25 1 . . . . 435 SER H . 11427 1 41 . 1 1 5 5 SER HA H 1 4.534 0.011 14 1 . . . . 435 SER HA . 11427 1 42 . 1 1 5 5 SER HB2 H 1 3.985 0.009 8 2 . . . . 435 SER HB2 . 11427 1 43 . 1 1 5 5 SER HB3 H 1 3.871 0.007 3 2 . . . . 435 SER HB3 . 11427 1 44 . 1 1 5 5 SER C C 13 174.529 0.009 4 1 . . . . 435 SER C . 11427 1 45 . 1 1 5 5 SER CA C 13 57.833 0.051 8 1 . . . . 435 SER CA . 11427 1 46 . 1 1 5 5 SER CB C 13 63.985 0.057 8 1 . . . . 435 SER CB . 11427 1 47 . 1 1 5 5 SER N N 15 115.589 0.058 24 1 . . . . 435 SER N . 11427 1 48 . 1 1 6 6 SER H H 1 8.469 0.005 12 1 . . . . 436 SER H . 11427 1 49 . 1 1 6 6 SER HA H 1 4.425 0.007 19 1 . . . . 436 SER HA . 11427 1 50 . 1 1 6 6 SER HB2 H 1 3.916 0.001 3 2 . . . . 436 SER HB2 . 11427 1 51 . 1 1 6 6 SER HB3 H 1 3.874 0.003 3 2 . . . . 436 SER HB3 . 11427 1 52 . 1 1 6 6 SER C C 13 174.567 0.004 4 1 . . . . 436 SER C . 11427 1 53 . 1 1 6 6 SER CA C 13 58.718 0.096 17 1 . . . . 436 SER CA . 11427 1 54 . 1 1 6 6 SER CB C 13 63.351 0.104 8 1 . . . . 436 SER CB . 11427 1 55 . 1 1 6 6 SER N N 15 117.162 0.037 11 1 . . . . 436 SER N . 11427 1 56 . 1 1 7 7 GLU H H 1 8.443 0.004 32 1 . . . . 437 GLU H . 11427 1 57 . 1 1 7 7 GLU HA H 1 4.308 0.010 22 1 . . . . 437 GLU HA . 11427 1 58 . 1 1 7 7 GLU HB2 H 1 1.944 0.012 7 2 . . . . 437 GLU HB2 . 11427 1 59 . 1 1 7 7 GLU HB3 H 1 2.076 0.013 10 2 . . . . 437 GLU HB3 . 11427 1 60 . 1 1 7 7 GLU HG2 H 1 2.237 0.014 9 2 . . . . 437 GLU QG . 11427 1 61 . 1 1 7 7 GLU HG3 H 1 2.237 0.014 9 2 . . . . 437 GLU QG . 11427 1 62 . 1 1 7 7 GLU C C 13 176.163 0.005 4 1 . . . . 437 GLU C . 11427 1 63 . 1 1 7 7 GLU CA C 13 56.618 0.045 12 1 . . . . 437 GLU CA . 11427 1 64 . 1 1 7 7 GLU CB C 13 29.918 0.100 7 1 . . . . 437 GLU CB . 11427 1 65 . 1 1 7 7 GLU CG C 13 36.125 0.088 6 1 . . . . 437 GLU CG . 11427 1 66 . 1 1 7 7 GLU N N 15 121.637 0.052 31 1 . . . . 437 GLU N . 11427 1 67 . 1 1 8 8 THR H H 1 8.007 0.005 49 1 . . . . 438 THR H . 11427 1 68 . 1 1 8 8 THR HA H 1 4.585 0.011 17 1 . . . . 438 THR HA . 11427 1 69 . 1 1 8 8 THR HB H 1 4.148 0.009 19 1 . . . . 438 THR HB . 11427 1 70 . 1 1 8 8 THR HG21 H 1 1.244 0.012 26 1 . . . . 438 THR MG . 11427 1 71 . 1 1 8 8 THR HG22 H 1 1.244 0.012 26 1 . . . . 438 THR MG . 11427 1 72 . 1 1 8 8 THR HG23 H 1 1.244 0.012 26 1 . . . . 438 THR MG . 11427 1 73 . 1 1 8 8 THR C C 13 172.014 . 1 1 . . . . 438 THR C . 11427 1 74 . 1 1 8 8 THR CA C 13 59.183 0.056 9 1 . . . . 438 THR CA . 11427 1 75 . 1 1 8 8 THR CB C 13 69.658 0.052 10 1 . . . . 438 THR CB . 11427 1 76 . 1 1 8 8 THR CG2 C 13 21.307 0.064 16 1 . . . . 438 THR CG2 . 11427 1 77 . 1 1 8 8 THR N N 15 117.174 0.045 43 1 . . . . 438 THR N . 11427 1 78 . 1 1 9 9 PRO HA H 1 4.567 0.011 34 1 . . . . 439 PRO HA . 11427 1 79 . 1 1 9 9 PRO HB2 H 1 2.068 0.013 23 2 . . . . 439 PRO HB2 . 11427 1 80 . 1 1 9 9 PRO HB3 H 1 1.878 0.006 14 2 . . . . 439 PRO HB3 . 11427 1 81 . 1 1 9 9 PRO HD2 H 1 3.805 0.007 15 2 . . . . 439 PRO HD2 . 11427 1 82 . 1 1 9 9 PRO HD3 H 1 3.688 0.006 17 2 . . . . 439 PRO HD3 . 11427 1 83 . 1 1 9 9 PRO HG2 H 1 1.953 0.020 8 2 . . . . 439 PRO QG . 11427 1 84 . 1 1 9 9 PRO HG3 H 1 1.953 0.020 8 2 . . . . 439 PRO QG . 11427 1 85 . 1 1 9 9 PRO C C 13 176.512 0.005 4 1 . . . . 439 PRO C . 11427 1 86 . 1 1 9 9 PRO CA C 13 62.531 0.060 21 1 . . . . 439 PRO CA . 11427 1 87 . 1 1 9 9 PRO CB C 13 31.944 0.071 21 1 . . . . 439 PRO CB . 11427 1 88 . 1 1 9 9 PRO CD C 13 50.706 0.055 22 1 . . . . 439 PRO CD . 11427 1 89 . 1 1 9 9 PRO CG C 13 26.927 0.090 7 1 . . . . 439 PRO CG . 11427 1 90 . 1 1 10 10 LEU H H 1 8.396 0.007 82 1 . . . . 440 LEU H . 11427 1 91 . 1 1 10 10 LEU HA H 1 4.710 0.013 42 1 . . . . 440 LEU HA . 11427 1 92 . 1 1 10 10 LEU HB2 H 1 1.833 0.008 28 2 . . . . 440 LEU HB2 . 11427 1 93 . 1 1 10 10 LEU HB3 H 1 1.477 0.013 21 2 . . . . 440 LEU HB3 . 11427 1 94 . 1 1 10 10 LEU HD11 H 1 0.855 0.001 7 2 . . . . 440 LEU MD1 . 11427 1 95 . 1 1 10 10 LEU HD12 H 1 0.855 0.001 7 2 . . . . 440 LEU MD1 . 11427 1 96 . 1 1 10 10 LEU HD13 H 1 0.855 0.001 7 2 . . . . 440 LEU MD1 . 11427 1 97 . 1 1 10 10 LEU HD21 H 1 0.871 0.006 11 2 . . . . 440 LEU MD2 . 11427 1 98 . 1 1 10 10 LEU HD22 H 1 0.871 0.006 11 2 . . . . 440 LEU MD2 . 11427 1 99 . 1 1 10 10 LEU HD23 H 1 0.871 0.006 11 2 . . . . 440 LEU MD2 . 11427 1 100 . 1 1 10 10 LEU HG H 1 1.833 0.009 24 1 . . . . 440 LEU HG . 11427 1 101 . 1 1 10 10 LEU C C 13 174.949 0.009 4 1 . . . . 440 LEU C . 11427 1 102 . 1 1 10 10 LEU CA C 13 54.284 0.053 21 1 . . . . 440 LEU CA . 11427 1 103 . 1 1 10 10 LEU CB C 13 43.168 0.073 27 1 . . . . 440 LEU CB . 11427 1 104 . 1 1 10 10 LEU CD1 C 13 26.197 0.089 13 2 . . . . 440 LEU CD1 . 11427 1 105 . 1 1 10 10 LEU CD2 C 13 23.592 0.125 17 2 . . . . 440 LEU CD2 . 11427 1 106 . 1 1 10 10 LEU CG C 13 27.303 0.087 12 1 . . . . 440 LEU CG . 11427 1 107 . 1 1 10 10 LEU N N 15 121.394 0.063 66 1 . . . . 440 LEU N . 11427 1 108 . 1 1 11 11 LEU H H 1 8.438 0.008 74 1 . . . . 441 LEU H . 11427 1 109 . 1 1 11 11 LEU HA H 1 5.160 0.009 44 1 . . . . 441 LEU HA . 11427 1 110 . 1 1 11 11 LEU HB2 H 1 1.420 0.012 31 2 . . . . 441 LEU HB2 . 11427 1 111 . 1 1 11 11 LEU HB3 H 1 1.781 0.014 27 2 . . . . 441 LEU HB3 . 11427 1 112 . 1 1 11 11 LEU HD11 H 1 0.853 0.008 31 2 . . . . 441 LEU QD . 11427 1 113 . 1 1 11 11 LEU HD12 H 1 0.853 0.008 31 2 . . . . 441 LEU QD . 11427 1 114 . 1 1 11 11 LEU HD13 H 1 0.853 0.008 31 2 . . . . 441 LEU QD . 11427 1 115 . 1 1 11 11 LEU HD21 H 1 0.853 0.008 31 2 . . . . 441 LEU QD . 11427 1 116 . 1 1 11 11 LEU HD22 H 1 0.853 0.008 31 2 . . . . 441 LEU QD . 11427 1 117 . 1 1 11 11 LEU HD23 H 1 0.853 0.008 31 2 . . . . 441 LEU QD . 11427 1 118 . 1 1 11 11 LEU HG H 1 1.470 0.011 12 1 . . . . 441 LEU HG . 11427 1 119 . 1 1 11 11 LEU C C 13 173.907 0.008 3 1 . . . . 441 LEU C . 11427 1 120 . 1 1 11 11 LEU CA C 13 53.607 0.105 26 1 . . . . 441 LEU CA . 11427 1 121 . 1 1 11 11 LEU CB C 13 44.969 0.086 37 1 . . . . 441 LEU CB . 11427 1 122 . 1 1 11 11 LEU CD1 C 13 25.545 0.021 2 2 . . . . 441 LEU CD1 . 11427 1 123 . 1 1 11 11 LEU CD2 C 13 23.928 0.006 2 2 . . . . 441 LEU CD2 . 11427 1 124 . 1 1 11 11 LEU CG C 13 27.264 0.080 12 1 . . . . 441 LEU CG . 11427 1 125 . 1 1 11 11 LEU N N 15 124.387 0.029 58 1 . . . . 441 LEU N . 11427 1 126 . 1 1 12 12 LEU H H 1 9.023 0.008 86 1 . . . . 442 LEU H . 11427 1 127 . 1 1 12 12 LEU HA H 1 5.291 0.012 40 1 . . . . 442 LEU HA . 11427 1 128 . 1 1 12 12 LEU HB2 H 1 0.837 0.008 25 2 . . . . 442 LEU HB2 . 11427 1 129 . 1 1 12 12 LEU HB3 H 1 1.810 0.014 25 2 . . . . 442 LEU HB3 . 11427 1 130 . 1 1 12 12 LEU HD11 H 1 0.627 0.008 19 2 . . . . 442 LEU MD1 . 11427 1 131 . 1 1 12 12 LEU HD12 H 1 0.627 0.008 19 2 . . . . 442 LEU MD1 . 11427 1 132 . 1 1 12 12 LEU HD13 H 1 0.627 0.008 19 2 . . . . 442 LEU MD1 . 11427 1 133 . 1 1 12 12 LEU HD21 H 1 0.730 0.007 29 2 . . . . 442 LEU MD2 . 11427 1 134 . 1 1 12 12 LEU HD22 H 1 0.730 0.007 29 2 . . . . 442 LEU MD2 . 11427 1 135 . 1 1 12 12 LEU HD23 H 1 0.730 0.007 29 2 . . . . 442 LEU MD2 . 11427 1 136 . 1 1 12 12 LEU HG H 1 1.173 0.010 23 1 . . . . 442 LEU HG . 11427 1 137 . 1 1 12 12 LEU C C 13 173.985 0.021 4 1 . . . . 442 LEU C . 11427 1 138 . 1 1 12 12 LEU CA C 13 52.512 0.056 22 1 . . . . 442 LEU CA . 11427 1 139 . 1 1 12 12 LEU CB C 13 45.332 0.097 29 1 . . . . 442 LEU CB . 11427 1 140 . 1 1 12 12 LEU CD1 C 13 25.713 0.140 16 2 . . . . 442 LEU CD1 . 11427 1 141 . 1 1 12 12 LEU CD2 C 13 23.654 0.092 25 2 . . . . 442 LEU CD2 . 11427 1 142 . 1 1 12 12 LEU CG C 13 27.231 0.103 13 1 . . . . 442 LEU CG . 11427 1 143 . 1 1 12 12 LEU N N 15 127.255 0.059 65 1 . . . . 442 LEU N . 11427 1 144 . 1 1 13 13 GLU H H 1 9.034 0.006 73 1 . . . . 443 GLU H . 11427 1 145 . 1 1 13 13 GLU HA H 1 5.698 0.007 46 1 . . . . 443 GLU HA . 11427 1 146 . 1 1 13 13 GLU HB2 H 1 2.106 0.009 17 2 . . . . 443 GLU HB2 . 11427 1 147 . 1 1 13 13 GLU HB3 H 1 1.954 0.014 18 2 . . . . 443 GLU HB3 . 11427 1 148 . 1 1 13 13 GLU HG2 H 1 2.025 0.013 18 2 . . . . 443 GLU HG2 . 11427 1 149 . 1 1 13 13 GLU HG3 H 1 2.319 0.008 17 2 . . . . 443 GLU HG3 . 11427 1 150 . 1 1 13 13 GLU C C 13 175.552 0.005 4 1 . . . . 443 GLU C . 11427 1 151 . 1 1 13 13 GLU CA C 13 54.363 0.093 27 1 . . . . 443 GLU CA . 11427 1 152 . 1 1 13 13 GLU CB C 13 31.432 0.064 20 1 . . . . 443 GLU CB . 11427 1 153 . 1 1 13 13 GLU CG C 13 37.298 0.095 22 1 . . . . 443 GLU CG . 11427 1 154 . 1 1 13 13 GLU N N 15 127.428 0.085 57 1 . . . . 443 GLU N . 11427 1 155 . 1 1 14 14 VAL H H 1 8.632 0.004 95 1 . . . . 444 VAL H . 11427 1 156 . 1 1 14 14 VAL HA H 1 4.576 0.014 32 1 . . . . 444 VAL HA . 11427 1 157 . 1 1 14 14 VAL HB H 1 1.938 0.011 23 1 . . . . 444 VAL HB . 11427 1 158 . 1 1 14 14 VAL HG11 H 1 0.679 0.009 40 2 . . . . 444 VAL MG1 . 11427 1 159 . 1 1 14 14 VAL HG12 H 1 0.679 0.009 40 2 . . . . 444 VAL MG1 . 11427 1 160 . 1 1 14 14 VAL HG13 H 1 0.679 0.009 40 2 . . . . 444 VAL MG1 . 11427 1 161 . 1 1 14 14 VAL HG21 H 1 0.817 0.032 26 2 . . . . 444 VAL MG2 . 11427 1 162 . 1 1 14 14 VAL HG22 H 1 0.817 0.032 26 2 . . . . 444 VAL MG2 . 11427 1 163 . 1 1 14 14 VAL HG23 H 1 0.817 0.032 26 2 . . . . 444 VAL MG2 . 11427 1 164 . 1 1 14 14 VAL C C 13 171.456 0.013 4 1 . . . . 444 VAL C . 11427 1 165 . 1 1 14 14 VAL CA C 13 59.344 0.164 23 1 . . . . 444 VAL CA . 11427 1 166 . 1 1 14 14 VAL CB C 13 33.717 0.083 14 1 . . . . 444 VAL CB . 11427 1 167 . 1 1 14 14 VAL CG1 C 13 19.111 0.070 35 2 . . . . 444 VAL CG1 . 11427 1 168 . 1 1 14 14 VAL CG2 C 13 22.548 0.091 13 2 . . . . 444 VAL CG2 . 11427 1 169 . 1 1 14 14 VAL N N 15 120.161 0.054 79 1 . . . . 444 VAL N . 11427 1 170 . 1 1 15 15 ASN H H 1 9.452 0.005 87 1 . . . . 445 ASN H . 11427 1 171 . 1 1 15 15 ASN HA H 1 4.927 0.009 30 1 . . . . 445 ASN HA . 11427 1 172 . 1 1 15 15 ASN HB2 H 1 2.936 0.012 23 2 . . . . 445 ASN HB2 . 11427 1 173 . 1 1 15 15 ASN HB3 H 1 3.320 0.009 27 2 . . . . 445 ASN HB3 . 11427 1 174 . 1 1 15 15 ASN HD21 H 1 7.905 0.007 66 2 . . . . 445 ASN HD21 . 11427 1 175 . 1 1 15 15 ASN HD22 H 1 7.395 0.005 49 2 . . . . 445 ASN HD22 . 11427 1 176 . 1 1 15 15 ASN C C 13 177.539 0.007 4 1 . . . . 445 ASN C . 11427 1 177 . 1 1 15 15 ASN CA C 13 53.063 0.062 21 1 . . . . 445 ASN CA . 11427 1 178 . 1 1 15 15 ASN CB C 13 37.441 0.084 32 1 . . . . 445 ASN CB . 11427 1 179 . 1 1 15 15 ASN CG C 13 177.806 0.014 4 1 . . . . 445 ASN CG . 11427 1 180 . 1 1 15 15 ASN N N 15 125.637 0.029 70 1 . . . . 445 ASN N . 11427 1 181 . 1 1 15 15 ASN ND2 N 15 114.395 0.049 82 1 . . . . 445 ASN ND2 . 11427 1 182 . 1 1 16 16 THR H H 1 9.268 0.005 79 1 . . . . 446 THR H . 11427 1 183 . 1 1 16 16 THR HA H 1 4.090 0.005 34 1 . . . . 446 THR HA . 11427 1 184 . 1 1 16 16 THR HB H 1 4.720 0.013 26 1 . . . . 446 THR HB . 11427 1 185 . 1 1 16 16 THR HG21 H 1 1.319 0.007 45 1 . . . . 446 THR MG . 11427 1 186 . 1 1 16 16 THR HG22 H 1 1.319 0.007 45 1 . . . . 446 THR MG . 11427 1 187 . 1 1 16 16 THR HG23 H 1 1.319 0.007 45 1 . . . . 446 THR MG . 11427 1 188 . 1 1 16 16 THR C C 13 172.969 0.001 4 1 . . . . 446 THR C . 11427 1 189 . 1 1 16 16 THR CA C 13 64.311 0.084 26 1 . . . . 446 THR CA . 11427 1 190 . 1 1 16 16 THR CB C 13 69.657 0.095 13 1 . . . . 446 THR CB . 11427 1 191 . 1 1 16 16 THR CG2 C 13 23.647 0.103 28 1 . . . . 446 THR CG2 . 11427 1 192 . 1 1 16 16 THR N N 15 121.158 0.062 66 1 . . . . 446 THR N . 11427 1 193 . 1 1 17 17 LYS H H 1 8.635 0.006 82 1 . . . . 447 LYS H . 11427 1 194 . 1 1 17 17 LYS HA H 1 4.331 0.010 24 1 . . . . 447 LYS HA . 11427 1 195 . 1 1 17 17 LYS HB2 H 1 2.178 0.009 15 2 . . . . 447 LYS HB2 . 11427 1 196 . 1 1 17 17 LYS HB3 H 1 1.997 0.009 15 2 . . . . 447 LYS HB3 . 11427 1 197 . 1 1 17 17 LYS HD2 H 1 1.662 0.018 9 2 . . . . 447 LYS QD . 11427 1 198 . 1 1 17 17 LYS HD3 H 1 1.662 0.018 9 2 . . . . 447 LYS QD . 11427 1 199 . 1 1 17 17 LYS HE2 H 1 2.821 0.006 15 2 . . . . 447 LYS QE . 11427 1 200 . 1 1 17 17 LYS HE3 H 1 2.821 0.006 15 2 . . . . 447 LYS QE . 11427 1 201 . 1 1 17 17 LYS HG2 H 1 1.456 0.007 9 2 . . . . 447 LYS HG2 . 11427 1 202 . 1 1 17 17 LYS HG3 H 1 1.311 0.012 11 2 . . . . 447 LYS HG3 . 11427 1 203 . 1 1 17 17 LYS C C 13 177.599 0.007 4 1 . . . . 447 LYS C . 11427 1 204 . 1 1 17 17 LYS CA C 13 56.813 0.097 15 1 . . . . 447 LYS CA . 11427 1 205 . 1 1 17 17 LYS CB C 13 32.697 0.131 14 1 . . . . 447 LYS CB . 11427 1 206 . 1 1 17 17 LYS CD C 13 28.690 0.091 7 1 . . . . 447 LYS CD . 11427 1 207 . 1 1 17 17 LYS CE C 13 41.601 0.065 12 1 . . . . 447 LYS CE . 11427 1 208 . 1 1 17 17 LYS CG C 13 25.526 0.074 12 1 . . . . 447 LYS CG . 11427 1 209 . 1 1 17 17 LYS N N 15 117.082 0.051 66 1 . . . . 447 LYS N . 11427 1 210 . 1 1 18 18 THR H H 1 7.197 0.006 78 1 . . . . 448 THR H . 11427 1 211 . 1 1 18 18 THR HA H 1 4.609 0.008 18 1 . . . . 448 THR HA . 11427 1 212 . 1 1 18 18 THR HB H 1 4.388 0.007 24 1 . . . . 448 THR HB . 11427 1 213 . 1 1 18 18 THR HG1 H 1 5.221 0.007 4 1 . . . . 448 THR HG1 . 11427 1 214 . 1 1 18 18 THR HG21 H 1 1.115 0.008 18 1 . . . . 448 THR MG . 11427 1 215 . 1 1 18 18 THR HG22 H 1 1.115 0.008 18 1 . . . . 448 THR MG . 11427 1 216 . 1 1 18 18 THR HG23 H 1 1.115 0.008 18 1 . . . . 448 THR MG . 11427 1 217 . 1 1 18 18 THR C C 13 174.697 0.005 4 1 . . . . 448 THR C . 11427 1 218 . 1 1 18 18 THR CA C 13 61.372 0.061 14 1 . . . . 448 THR CA . 11427 1 219 . 1 1 18 18 THR CB C 13 69.596 0.046 14 1 . . . . 448 THR CB . 11427 1 220 . 1 1 18 18 THR CG2 C 13 20.493 0.113 16 1 . . . . 448 THR CG2 . 11427 1 221 . 1 1 18 18 THR N N 15 105.105 0.040 64 1 . . . . 448 THR N . 11427 1 222 . 1 1 19 19 THR H H 1 7.486 0.006 79 1 . . . . 449 THR H . 11427 1 223 . 1 1 19 19 THR HA H 1 4.334 0.010 29 1 . . . . 449 THR HA . 11427 1 224 . 1 1 19 19 THR HB H 1 3.762 0.009 28 1 . . . . 449 THR HB . 11427 1 225 . 1 1 19 19 THR HG1 H 1 5.686 0.007 7 1 . . . . 449 THR HG1 . 11427 1 226 . 1 1 19 19 THR HG21 H 1 1.157 0.011 38 1 . . . . 449 THR MG . 11427 1 227 . 1 1 19 19 THR HG22 H 1 1.157 0.011 38 1 . . . . 449 THR MG . 11427 1 228 . 1 1 19 19 THR HG23 H 1 1.157 0.011 38 1 . . . . 449 THR MG . 11427 1 229 . 1 1 19 19 THR C C 13 172.941 0.006 4 1 . . . . 449 THR C . 11427 1 230 . 1 1 19 19 THR CA C 13 63.409 0.144 23 1 . . . . 449 THR CA . 11427 1 231 . 1 1 19 19 THR CB C 13 69.290 0.081 16 1 . . . . 449 THR CB . 11427 1 232 . 1 1 19 19 THR CG2 C 13 21.122 0.110 32 1 . . . . 449 THR CG2 . 11427 1 233 . 1 1 19 19 THR N N 15 120.987 0.038 68 1 . . . . 449 THR N . 11427 1 234 . 1 1 20 20 LYS H H 1 8.986 0.007 77 1 . . . . 450 LYS H . 11427 1 235 . 1 1 20 20 LYS HA H 1 4.655 0.011 26 1 . . . . 450 LYS HA . 11427 1 236 . 1 1 20 20 LYS HB2 H 1 1.634 0.008 22 2 . . . . 450 LYS HB2 . 11427 1 237 . 1 1 20 20 LYS HB3 H 1 2.046 0.012 15 2 . . . . 450 LYS HB3 . 11427 1 238 . 1 1 20 20 LYS HD2 H 1 1.635 0.008 10 2 . . . . 450 LYS QD . 11427 1 239 . 1 1 20 20 LYS HD3 H 1 1.635 0.008 10 2 . . . . 450 LYS QD . 11427 1 240 . 1 1 20 20 LYS HE2 H 1 3.047 0.003 6 2 . . . . 450 LYS HE2 . 11427 1 241 . 1 1 20 20 LYS HE3 H 1 3.001 0.005 6 2 . . . . 450 LYS HE3 . 11427 1 242 . 1 1 20 20 LYS HG2 H 1 1.521 0.009 9 2 . . . . 450 LYS HG2 . 11427 1 243 . 1 1 20 20 LYS HG3 H 1 1.166 0.010 21 2 . . . . 450 LYS HG3 . 11427 1 244 . 1 1 20 20 LYS C C 13 178.541 0.002 4 1 . . . . 450 LYS C . 11427 1 245 . 1 1 20 20 LYS CA C 13 55.436 0.060 21 1 . . . . 450 LYS CA . 11427 1 246 . 1 1 20 20 LYS CB C 13 33.617 0.110 20 1 . . . . 450 LYS CB . 11427 1 247 . 1 1 20 20 LYS CD C 13 29.653 0.104 7 1 . . . . 450 LYS CD . 11427 1 248 . 1 1 20 20 LYS CE C 13 42.015 0.094 13 1 . . . . 450 LYS CE . 11427 1 249 . 1 1 20 20 LYS CG C 13 26.078 0.072 18 1 . . . . 450 LYS CG . 11427 1 250 . 1 1 20 20 LYS N N 15 126.380 0.045 61 1 . . . . 450 LYS N . 11427 1 251 . 1 1 21 21 LEU H H 1 8.460 0.007 92 1 . . . . 451 LEU H . 11427 1 252 . 1 1 21 21 LEU HA H 1 3.892 0.015 31 1 . . . . 451 LEU HA . 11427 1 253 . 1 1 21 21 LEU HB2 H 1 1.418 0.009 24 2 . . . . 451 LEU HB2 . 11427 1 254 . 1 1 21 21 LEU HB3 H 1 2.391 0.010 34 2 . . . . 451 LEU HB3 . 11427 1 255 . 1 1 21 21 LEU HD11 H 1 0.699 0.002 14 2 . . . . 451 LEU MD1 . 11427 1 256 . 1 1 21 21 LEU HD12 H 1 0.699 0.002 14 2 . . . . 451 LEU MD1 . 11427 1 257 . 1 1 21 21 LEU HD13 H 1 0.699 0.002 14 2 . . . . 451 LEU MD1 . 11427 1 258 . 1 1 21 21 LEU HD21 H 1 0.761 0.010 27 2 . . . . 451 LEU MD2 . 11427 1 259 . 1 1 21 21 LEU HD22 H 1 0.761 0.010 27 2 . . . . 451 LEU MD2 . 11427 1 260 . 1 1 21 21 LEU HD23 H 1 0.761 0.010 27 2 . . . . 451 LEU MD2 . 11427 1 261 . 1 1 21 21 LEU HG H 1 1.364 0.010 18 1 . . . . 451 LEU HG . 11427 1 262 . 1 1 21 21 LEU C C 13 178.319 0.010 4 1 . . . . 451 LEU C . 11427 1 263 . 1 1 21 21 LEU CA C 13 58.429 0.086 19 1 . . . . 451 LEU CA . 11427 1 264 . 1 1 21 21 LEU CB C 13 39.724 0.091 36 1 . . . . 451 LEU CB . 11427 1 265 . 1 1 21 21 LEU CD1 C 13 21.186 0.169 19 2 . . . . 451 LEU CD1 . 11427 1 266 . 1 1 21 21 LEU CD2 C 13 25.338 0.157 24 2 . . . . 451 LEU CD2 . 11427 1 267 . 1 1 21 21 LEU CG C 13 26.638 0.072 9 1 . . . . 451 LEU CG . 11427 1 268 . 1 1 21 21 LEU N N 15 122.487 0.046 70 1 . . . . 451 LEU N . 11427 1 269 . 1 1 22 22 ARG H H 1 9.207 0.006 101 1 . . . . 452 ARG H . 11427 1 270 . 1 1 22 22 ARG HA H 1 3.574 0.007 45 1 . . . . 452 ARG HA . 11427 1 271 . 1 1 22 22 ARG HB2 H 1 1.485 0.012 23 2 . . . . 452 ARG HB2 . 11427 1 272 . 1 1 22 22 ARG HB3 H 1 1.946 0.007 31 2 . . . . 452 ARG HB3 . 11427 1 273 . 1 1 22 22 ARG HD2 H 1 3.198 0.007 15 2 . . . . 452 ARG HD2 . 11427 1 274 . 1 1 22 22 ARG HD3 H 1 3.094 0.013 23 2 . . . . 452 ARG HD3 . 11427 1 275 . 1 1 22 22 ARG HE H 1 7.789 0.010 22 1 . . . . 452 ARG HE . 11427 1 276 . 1 1 22 22 ARG HG2 H 1 1.476 0.009 19 2 . . . . 452 ARG QG . 11427 1 277 . 1 1 22 22 ARG HG3 H 1 1.476 0.009 19 2 . . . . 452 ARG QG . 11427 1 278 . 1 1 22 22 ARG C C 13 176.382 0.007 4 1 . . . . 452 ARG C . 11427 1 279 . 1 1 22 22 ARG CA C 13 59.553 0.036 32 1 . . . . 452 ARG CA . 11427 1 280 . 1 1 22 22 ARG CB C 13 29.788 0.118 33 1 . . . . 452 ARG CB . 11427 1 281 . 1 1 22 22 ARG CD C 13 42.611 0.075 29 1 . . . . 452 ARG CD . 11427 1 282 . 1 1 22 22 ARG CG C 13 26.097 0.072 12 1 . . . . 452 ARG CG . 11427 1 283 . 1 1 22 22 ARG CZ C 13 159.429 0.009 2 1 . . . . 452 ARG CZ . 11427 1 284 . 1 1 22 22 ARG N N 15 116.116 0.029 77 1 . . . . 452 ARG N . 11427 1 285 . 1 1 22 22 ARG NE N 15 82.784 0.064 15 1 . . . . 452 ARG NE . 11427 1 286 . 1 1 23 23 GLU H H 1 7.122 0.007 88 1 . . . . 453 GLU H . 11427 1 287 . 1 1 23 23 GLU HA H 1 4.103 0.009 28 1 . . . . 453 GLU HA . 11427 1 288 . 1 1 23 23 GLU HB2 H 1 2.206 0.015 17 2 . . . . 453 GLU HB2 . 11427 1 289 . 1 1 23 23 GLU HB3 H 1 1.991 0.013 12 2 . . . . 453 GLU HB3 . 11427 1 290 . 1 1 23 23 GLU HG2 H 1 2.278 0.010 11 2 . . . . 453 GLU HG2 . 11427 1 291 . 1 1 23 23 GLU HG3 H 1 2.225 0.008 6 2 . . . . 453 GLU HG3 . 11427 1 292 . 1 1 23 23 GLU C C 13 178.552 0.003 4 1 . . . . 453 GLU C . 11427 1 293 . 1 1 23 23 GLU CA C 13 58.863 0.077 18 1 . . . . 453 GLU CA . 11427 1 294 . 1 1 23 23 GLU CB C 13 29.641 0.084 18 1 . . . . 453 GLU CB . 11427 1 295 . 1 1 23 23 GLU CG C 13 37.305 0.106 22 1 . . . . 453 GLU CG . 11427 1 296 . 1 1 23 23 GLU N N 15 115.999 0.054 72 1 . . . . 453 GLU N . 11427 1 297 . 1 1 24 24 VAL H H 1 7.010 0.009 86 1 . . . . 454 VAL H . 11427 1 298 . 1 1 24 24 VAL HA H 1 3.406 0.006 41 1 . . . . 454 VAL HA . 11427 1 299 . 1 1 24 24 VAL HB H 1 2.076 0.010 21 1 . . . . 454 VAL HB . 11427 1 300 . 1 1 24 24 VAL HG11 H 1 0.602 0.014 34 2 . . . . 454 VAL MG1 . 11427 1 301 . 1 1 24 24 VAL HG12 H 1 0.602 0.014 34 2 . . . . 454 VAL MG1 . 11427 1 302 . 1 1 24 24 VAL HG13 H 1 0.602 0.014 34 2 . . . . 454 VAL MG1 . 11427 1 303 . 1 1 24 24 VAL HG21 H 1 0.936 0.011 24 2 . . . . 454 VAL MG2 . 11427 1 304 . 1 1 24 24 VAL HG22 H 1 0.936 0.011 24 2 . . . . 454 VAL MG2 . 11427 1 305 . 1 1 24 24 VAL HG23 H 1 0.936 0.011 24 2 . . . . 454 VAL MG2 . 11427 1 306 . 1 1 24 24 VAL C C 13 178.369 0.004 4 1 . . . . 454 VAL C . 11427 1 307 . 1 1 24 24 VAL CA C 13 65.904 0.043 31 1 . . . . 454 VAL CA . 11427 1 308 . 1 1 24 24 VAL CB C 13 31.631 0.090 15 1 . . . . 454 VAL CB . 11427 1 309 . 1 1 24 24 VAL CG1 C 13 19.888 0.138 24 2 . . . . 454 VAL CG1 . 11427 1 310 . 1 1 24 24 VAL CG2 C 13 22.995 0.088 17 2 . . . . 454 VAL CG2 . 11427 1 311 . 1 1 24 24 VAL N N 15 117.463 0.027 70 1 . . . . 454 VAL N . 11427 1 312 . 1 1 25 25 ILE H H 1 8.213 0.008 84 1 . . . . 455 ILE H . 11427 1 313 . 1 1 25 25 ILE HA H 1 3.398 0.011 51 1 . . . . 455 ILE HA . 11427 1 314 . 1 1 25 25 ILE HB H 1 1.731 0.010 34 1 . . . . 455 ILE HB . 11427 1 315 . 1 1 25 25 ILE HD11 H 1 0.099 0.012 50 1 . . . . 455 ILE MD . 11427 1 316 . 1 1 25 25 ILE HD12 H 1 0.099 0.012 50 1 . . . . 455 ILE MD . 11427 1 317 . 1 1 25 25 ILE HD13 H 1 0.099 0.012 50 1 . . . . 455 ILE MD . 11427 1 318 . 1 1 25 25 ILE HG12 H 1 0.974 0.006 12 2 . . . . 455 ILE HG12 . 11427 1 319 . 1 1 25 25 ILE HG13 H 1 0.794 0.005 22 2 . . . . 455 ILE HG13 . 11427 1 320 . 1 1 25 25 ILE HG21 H 1 0.519 0.011 52 1 . . . . 455 ILE MG . 11427 1 321 . 1 1 25 25 ILE HG22 H 1 0.519 0.011 52 1 . . . . 455 ILE MG . 11427 1 322 . 1 1 25 25 ILE HG23 H 1 0.519 0.011 52 1 . . . . 455 ILE MG . 11427 1 323 . 1 1 25 25 ILE C C 13 175.965 0.002 4 1 . . . . 455 ILE C . 11427 1 324 . 1 1 25 25 ILE CA C 13 64.067 0.102 30 1 . . . . 455 ILE CA . 11427 1 325 . 1 1 25 25 ILE CB C 13 36.002 0.098 21 1 . . . . 455 ILE CB . 11427 1 326 . 1 1 25 25 ILE CD1 C 13 11.587 0.046 33 1 . . . . 455 ILE CD1 . 11427 1 327 . 1 1 25 25 ILE CG1 C 13 27.769 0.180 27 1 . . . . 455 ILE CG1 . 11427 1 328 . 1 1 25 25 ILE CG2 C 13 16.673 0.061 31 1 . . . . 455 ILE CG2 . 11427 1 329 . 1 1 25 25 ILE N N 15 119.678 0.085 63 1 . . . . 455 ILE N . 11427 1 330 . 1 1 26 26 GLU H H 1 8.482 0.006 69 1 . . . . 456 GLU H . 11427 1 331 . 1 1 26 26 GLU HA H 1 3.876 0.010 33 1 . . . . 456 GLU HA . 11427 1 332 . 1 1 26 26 GLU HB2 H 1 1.965 0.012 14 2 . . . . 456 GLU QB . 11427 1 333 . 1 1 26 26 GLU HB3 H 1 1.965 0.012 14 2 . . . . 456 GLU QB . 11427 1 334 . 1 1 26 26 GLU HG2 H 1 2.340 0.011 10 2 . . . . 456 GLU HG2 . 11427 1 335 . 1 1 26 26 GLU HG3 H 1 2.200 0.016 7 2 . . . . 456 GLU HG3 . 11427 1 336 . 1 1 26 26 GLU C C 13 178.653 0.005 4 1 . . . . 456 GLU C . 11427 1 337 . 1 1 26 26 GLU CA C 13 59.482 0.052 23 1 . . . . 456 GLU CA . 11427 1 338 . 1 1 26 26 GLU CB C 13 29.683 0.059 7 1 . . . . 456 GLU CB . 11427 1 339 . 1 1 26 26 GLU CG C 13 36.092 0.048 11 1 . . . . 456 GLU CG . 11427 1 340 . 1 1 26 26 GLU N N 15 115.645 0.033 52 1 . . . . 456 GLU N . 11427 1 341 . 1 1 27 27 LYS H H 1 8.171 0.008 81 1 . . . . 457 LYS H . 11427 1 342 . 1 1 27 27 LYS HA H 1 4.122 0.011 29 1 . . . . 457 LYS HA . 11427 1 343 . 1 1 27 27 LYS HB2 H 1 1.963 0.011 15 2 . . . . 457 LYS HB2 . 11427 1 344 . 1 1 27 27 LYS HB3 H 1 1.671 0.010 11 2 . . . . 457 LYS HB3 . 11427 1 345 . 1 1 27 27 LYS HD2 H 1 1.582 0.010 12 2 . . . . 457 LYS QD . 11427 1 346 . 1 1 27 27 LYS HD3 H 1 1.582 0.010 12 2 . . . . 457 LYS QD . 11427 1 347 . 1 1 27 27 LYS HE2 H 1 2.959 0.007 15 2 . . . . 457 LYS QE . 11427 1 348 . 1 1 27 27 LYS HE3 H 1 2.959 0.007 15 2 . . . . 457 LYS QE . 11427 1 349 . 1 1 27 27 LYS HG2 H 1 1.634 0.011 15 2 . . . . 457 LYS HG2 . 11427 1 350 . 1 1 27 27 LYS HG3 H 1 1.424 0.014 14 2 . . . . 457 LYS HG3 . 11427 1 351 . 1 1 27 27 LYS C C 13 176.977 0.009 4 1 . . . . 457 LYS C . 11427 1 352 . 1 1 27 27 LYS CA C 13 58.881 0.111 17 1 . . . . 457 LYS CA . 11427 1 353 . 1 1 27 27 LYS CB C 13 32.705 0.082 10 1 . . . . 457 LYS CB . 11427 1 354 . 1 1 27 27 LYS CD C 13 29.222 0.076 10 1 . . . . 457 LYS CD . 11427 1 355 . 1 1 27 27 LYS CE C 13 41.914 0.080 11 1 . . . . 457 LYS CE . 11427 1 356 . 1 1 27 27 LYS CG C 13 26.112 0.101 20 1 . . . . 457 LYS CG . 11427 1 357 . 1 1 27 27 LYS N N 15 114.846 0.048 68 1 . . . . 457 LYS N . 11427 1 358 . 1 1 28 28 ILE H H 1 7.329 0.009 80 1 . . . . 458 ILE H . 11427 1 359 . 1 1 28 28 ILE HA H 1 4.194 0.011 36 1 . . . . 458 ILE HA . 11427 1 360 . 1 1 28 28 ILE HB H 1 2.506 0.008 37 1 . . . . 458 ILE HB . 11427 1 361 . 1 1 28 28 ILE HD11 H 1 0.510 0.007 48 1 . . . . 458 ILE MD . 11427 1 362 . 1 1 28 28 ILE HD12 H 1 0.510 0.007 48 1 . . . . 458 ILE MD . 11427 1 363 . 1 1 28 28 ILE HD13 H 1 0.510 0.007 48 1 . . . . 458 ILE MD . 11427 1 364 . 1 1 28 28 ILE HG12 H 1 1.650 0.010 24 2 . . . . 458 ILE HG12 . 11427 1 365 . 1 1 28 28 ILE HG13 H 1 1.233 0.009 33 2 . . . . 458 ILE HG13 . 11427 1 366 . 1 1 28 28 ILE HG21 H 1 0.638 0.009 37 1 . . . . 458 ILE MG . 11427 1 367 . 1 1 28 28 ILE HG22 H 1 0.638 0.009 37 1 . . . . 458 ILE MG . 11427 1 368 . 1 1 28 28 ILE HG23 H 1 0.638 0.009 37 1 . . . . 458 ILE MG . 11427 1 369 . 1 1 28 28 ILE C C 13 176.000 0.009 4 1 . . . . 458 ILE C . 11427 1 370 . 1 1 28 28 ILE CA C 13 59.007 0.073 26 1 . . . . 458 ILE CA . 11427 1 371 . 1 1 28 28 ILE CB C 13 35.482 0.058 15 1 . . . . 458 ILE CB . 11427 1 372 . 1 1 28 28 ILE CD1 C 13 8.009 0.061 32 1 . . . . 458 ILE CD1 . 11427 1 373 . 1 1 28 28 ILE CG1 C 13 26.111 0.084 35 1 . . . . 458 ILE CG1 . 11427 1 374 . 1 1 28 28 ILE CG2 C 13 17.234 0.071 32 1 . . . . 458 ILE CG2 . 11427 1 375 . 1 1 28 28 ILE N N 15 113.823 0.022 61 1 . . . . 458 ILE N . 11427 1 376 . 1 1 29 29 ILE H H 1 7.641 0.008 92 1 . . . . 459 ILE H . 11427 1 377 . 1 1 29 29 ILE HA H 1 3.345 0.017 47 1 . . . . 459 ILE HA . 11427 1 378 . 1 1 29 29 ILE HB H 1 2.265 0.008 31 1 . . . . 459 ILE HB . 11427 1 379 . 1 1 29 29 ILE HD11 H 1 0.582 0.011 39 1 . . . . 459 ILE MD . 11427 1 380 . 1 1 29 29 ILE HD12 H 1 0.582 0.011 39 1 . . . . 459 ILE MD . 11427 1 381 . 1 1 29 29 ILE HD13 H 1 0.582 0.011 39 1 . . . . 459 ILE MD . 11427 1 382 . 1 1 29 29 ILE HG12 H 1 1.323 0.007 27 2 . . . . 459 ILE HG12 . 11427 1 383 . 1 1 29 29 ILE HG13 H 1 0.947 0.010 23 2 . . . . 459 ILE HG13 . 11427 1 384 . 1 1 29 29 ILE HG21 H 1 0.869 0.011 41 1 . . . . 459 ILE MG . 11427 1 385 . 1 1 29 29 ILE HG22 H 1 0.869 0.011 41 1 . . . . 459 ILE MG . 11427 1 386 . 1 1 29 29 ILE HG23 H 1 0.869 0.011 41 1 . . . . 459 ILE MG . 11427 1 387 . 1 1 29 29 ILE C C 13 175.142 0.006 4 1 . . . . 459 ILE C . 11427 1 388 . 1 1 29 29 ILE CA C 13 65.363 0.065 33 1 . . . . 459 ILE CA . 11427 1 389 . 1 1 29 29 ILE CB C 13 36.991 0.104 12 1 . . . . 459 ILE CB . 11427 1 390 . 1 1 29 29 ILE CD1 C 13 12.902 0.087 34 1 . . . . 459 ILE CD1 . 11427 1 391 . 1 1 29 29 ILE CG1 C 13 28.910 0.075 31 1 . . . . 459 ILE CG1 . 11427 1 392 . 1 1 29 29 ILE CG2 C 13 18.673 0.079 29 1 . . . . 459 ILE CG2 . 11427 1 393 . 1 1 29 29 ILE N N 15 119.911 0.050 74 1 . . . . 459 ILE N . 11427 1 394 . 1 1 30 30 LYS H H 1 8.486 0.007 62 1 . . . . 460 LYS H . 11427 1 395 . 1 1 30 30 LYS HA H 1 4.324 0.009 27 1 . . . . 460 LYS HA . 11427 1 396 . 1 1 30 30 LYS HB2 H 1 1.780 0.010 20 2 . . . . 460 LYS HB2 . 11427 1 397 . 1 1 30 30 LYS HB3 H 1 1.955 0.008 15 2 . . . . 460 LYS HB3 . 11427 1 398 . 1 1 30 30 LYS HD2 H 1 1.604 0.004 4 2 . . . . 460 LYS HD2 . 11427 1 399 . 1 1 30 30 LYS HD3 H 1 1.558 0.006 4 2 . . . . 460 LYS HD3 . 11427 1 400 . 1 1 30 30 LYS HE2 H 1 2.881 0.006 11 2 . . . . 460 LYS HE2 . 11427 1 401 . 1 1 30 30 LYS HE3 H 1 2.615 0.004 15 2 . . . . 460 LYS HE3 . 11427 1 402 . 1 1 30 30 LYS HG2 H 1 1.373 0.010 16 2 . . . . 460 LYS QG . 11427 1 403 . 1 1 30 30 LYS HG3 H 1 1.373 0.010 16 2 . . . . 460 LYS QG . 11427 1 404 . 1 1 30 30 LYS C C 13 179.028 0.002 4 1 . . . . 460 LYS C . 11427 1 405 . 1 1 30 30 LYS CA C 13 58.739 0.130 21 1 . . . . 460 LYS CA . 11427 1 406 . 1 1 30 30 LYS CB C 13 31.817 0.155 16 1 . . . . 460 LYS CB . 11427 1 407 . 1 1 30 30 LYS CD C 13 29.425 0.093 16 1 . . . . 460 LYS CD . 11427 1 408 . 1 1 30 30 LYS CE C 13 41.979 0.057 22 1 . . . . 460 LYS CE . 11427 1 409 . 1 1 30 30 LYS CG C 13 25.707 0.081 6 1 . . . . 460 LYS CG . 11427 1 410 . 1 1 30 30 LYS N N 15 115.661 0.028 43 1 . . . . 460 LYS N . 11427 1 411 . 1 1 31 31 SER H H 1 6.882 0.007 76 1 . . . . 461 SER H . 11427 1 412 . 1 1 31 31 SER HA H 1 4.194 0.009 19 1 . . . . 461 SER HA . 11427 1 413 . 1 1 31 31 SER HB2 H 1 3.987 0.015 11 2 . . . . 461 SER HB2 . 11427 1 414 . 1 1 31 31 SER HB3 H 1 3.873 0.009 23 2 . . . . 461 SER HB3 . 11427 1 415 . 1 1 31 31 SER C C 13 175.168 0.005 4 1 . . . . 461 SER C . 11427 1 416 . 1 1 31 31 SER CA C 13 61.463 0.067 17 1 . . . . 461 SER CA . 11427 1 417 . 1 1 31 31 SER CB C 13 62.721 0.118 24 1 . . . . 461 SER CB . 11427 1 418 . 1 1 31 31 SER N N 15 109.155 0.056 61 1 . . . . 461 SER N . 11427 1 419 . 1 1 32 32 LYS H H 1 6.901 0.008 83 1 . . . . 462 LYS H . 11427 1 420 . 1 1 32 32 LYS HA H 1 4.376 0.012 24 1 . . . . 462 LYS HA . 11427 1 421 . 1 1 32 32 LYS HB2 H 1 1.988 0.012 28 2 . . . . 462 LYS HB2 . 11427 1 422 . 1 1 32 32 LYS HB3 H 1 1.525 0.009 16 2 . . . . 462 LYS HB3 . 11427 1 423 . 1 1 32 32 LYS HD2 H 1 1.530 0.013 6 2 . . . . 462 LYS QD . 11427 1 424 . 1 1 32 32 LYS HD3 H 1 1.530 0.013 6 2 . . . . 462 LYS QD . 11427 1 425 . 1 1 32 32 LYS HE2 H 1 2.964 0.009 19 2 . . . . 462 LYS QE . 11427 1 426 . 1 1 32 32 LYS HE3 H 1 2.964 0.009 19 2 . . . . 462 LYS QE . 11427 1 427 . 1 1 32 32 LYS HG2 H 1 1.494 0.008 6 2 . . . . 462 LYS HG2 . 11427 1 428 . 1 1 32 32 LYS HG3 H 1 1.420 0.009 8 2 . . . . 462 LYS HG3 . 11427 1 429 . 1 1 32 32 LYS C C 13 177.346 0.007 4 1 . . . . 462 LYS C . 11427 1 430 . 1 1 32 32 LYS CA C 13 57.985 0.104 16 1 . . . . 462 LYS CA . 11427 1 431 . 1 1 32 32 LYS CB C 13 32.069 0.125 24 1 . . . . 462 LYS CB . 11427 1 432 . 1 1 32 32 LYS CD C 13 28.765 0.048 4 1 . . . . 462 LYS CD . 11427 1 433 . 1 1 32 32 LYS CE C 13 41.817 0.074 13 1 . . . . 462 LYS CE . 11427 1 434 . 1 1 32 32 LYS CG C 13 24.848 0.193 12 1 . . . . 462 LYS CG . 11427 1 435 . 1 1 32 32 LYS N N 15 116.168 0.039 63 1 . . . . 462 LYS N . 11427 1 436 . 1 1 33 33 LEU H H 1 7.546 0.005 76 1 . . . . 463 LEU H . 11427 1 437 . 1 1 33 33 LEU HA H 1 3.997 0.008 30 1 . . . . 463 LEU HA . 11427 1 438 . 1 1 33 33 LEU HB2 H 1 2.250 0.007 35 2 . . . . 463 LEU HB2 . 11427 1 439 . 1 1 33 33 LEU HB3 H 1 1.219 0.007 32 2 . . . . 463 LEU HB3 . 11427 1 440 . 1 1 33 33 LEU HD11 H 1 0.520 0.011 41 2 . . . . 463 LEU MD1 . 11427 1 441 . 1 1 33 33 LEU HD12 H 1 0.520 0.011 41 2 . . . . 463 LEU MD1 . 11427 1 442 . 1 1 33 33 LEU HD13 H 1 0.520 0.011 41 2 . . . . 463 LEU MD1 . 11427 1 443 . 1 1 33 33 LEU HD21 H 1 0.039 0.010 41 2 . . . . 463 LEU MD2 . 11427 1 444 . 1 1 33 33 LEU HD22 H 1 0.039 0.010 41 2 . . . . 463 LEU MD2 . 11427 1 445 . 1 1 33 33 LEU HD23 H 1 0.039 0.010 41 2 . . . . 463 LEU MD2 . 11427 1 446 . 1 1 33 33 LEU HG H 1 1.223 0.006 20 1 . . . . 463 LEU HG . 11427 1 447 . 1 1 33 33 LEU C C 13 177.219 0.005 4 1 . . . . 463 LEU C . 11427 1 448 . 1 1 33 33 LEU CA C 13 55.011 0.081 20 1 . . . . 463 LEU CA . 11427 1 449 . 1 1 33 33 LEU CB C 13 40.229 0.041 39 1 . . . . 463 LEU CB . 11427 1 450 . 1 1 33 33 LEU CD1 C 13 25.390 0.121 22 2 . . . . 463 LEU CD1 . 11427 1 451 . 1 1 33 33 LEU CD2 C 13 21.266 0.062 25 2 . . . . 463 LEU CD2 . 11427 1 452 . 1 1 33 33 LEU CG C 13 26.174 0.075 16 1 . . . . 463 LEU CG . 11427 1 453 . 1 1 33 33 LEU N N 15 114.224 0.047 64 1 . . . . 463 LEU N . 11427 1 454 . 1 1 34 34 GLY H H 1 6.877 0.007 72 1 . . . . 464 GLY H . 11427 1 455 . 1 1 34 34 GLY HA2 H 1 3.829 0.006 12 2 . . . . 464 GLY QA . 11427 1 456 . 1 1 34 34 GLY HA3 H 1 3.829 0.006 12 2 . . . . 464 GLY QA . 11427 1 457 . 1 1 34 34 GLY C C 13 174.457 0.006 3 1 . . . . 464 GLY C . 11427 1 458 . 1 1 34 34 GLY CA C 13 46.126 0.037 11 1 . . . . 464 GLY CA . 11427 1 459 . 1 1 34 34 GLY N N 15 104.819 0.046 59 1 . . . . 464 GLY N . 11427 1 460 . 1 1 35 35 MET H H 1 7.673 0.006 63 1 . . . . 465 MET H . 11427 1 461 . 1 1 35 35 MET HA H 1 4.183 0.010 21 1 . . . . 465 MET HA . 11427 1 462 . 1 1 35 35 MET HB2 H 1 1.651 0.020 9 2 . . . . 465 MET QB . 11427 1 463 . 1 1 35 35 MET HB3 H 1 1.651 0.020 9 2 . . . . 465 MET QB . 11427 1 464 . 1 1 35 35 MET HG2 H 1 2.356 0.014 15 2 . . . . 465 MET HG2 . 11427 1 465 . 1 1 35 35 MET HG3 H 1 2.104 0.013 13 2 . . . . 465 MET HG3 . 11427 1 466 . 1 1 35 35 MET C C 13 173.693 0.007 4 1 . . . . 465 MET C . 11427 1 467 . 1 1 35 35 MET CA C 13 55.583 0.169 14 1 . . . . 465 MET CA . 11427 1 468 . 1 1 35 35 MET CB C 13 32.049 0.087 7 1 . . . . 465 MET CB . 11427 1 469 . 1 1 35 35 MET CG C 13 33.156 0.098 21 1 . . . . 465 MET CG . 11427 1 470 . 1 1 35 35 MET N N 15 118.513 0.034 49 1 . . . . 465 MET N . 11427 1 471 . 1 1 36 36 ASN H H 1 7.992 0.009 62 1 . . . . 466 ASN H . 11427 1 472 . 1 1 36 36 ASN HA H 1 4.581 0.008 28 1 . . . . 466 ASN HA . 11427 1 473 . 1 1 36 36 ASN HB2 H 1 2.782 0.006 15 2 . . . . 466 ASN HB2 . 11427 1 474 . 1 1 36 36 ASN HB3 H 1 2.743 0.004 10 2 . . . . 466 ASN HB3 . 11427 1 475 . 1 1 36 36 ASN HD21 H 1 7.573 0.007 50 2 . . . . 466 ASN HD21 . 11427 1 476 . 1 1 36 36 ASN HD22 H 1 6.863 0.008 38 2 . . . . 466 ASN HD22 . 11427 1 477 . 1 1 36 36 ASN C C 13 174.615 0.004 4 1 . . . . 466 ASN C . 11427 1 478 . 1 1 36 36 ASN CA C 13 54.661 0.093 18 1 . . . . 466 ASN CA . 11427 1 479 . 1 1 36 36 ASN CB C 13 39.947 0.104 30 1 . . . . 466 ASN CB . 11427 1 480 . 1 1 36 36 ASN CG C 13 176.266 0.015 4 1 . . . . 466 ASN CG . 11427 1 481 . 1 1 36 36 ASN N N 15 118.180 0.044 47 1 . . . . 466 ASN N . 11427 1 482 . 1 1 36 36 ASN ND2 N 15 113.559 0.061 50 1 . . . . 466 ASN ND2 . 11427 1 483 . 1 1 37 37 LEU H H 1 8.795 0.008 69 1 . . . . 467 LEU H . 11427 1 484 . 1 1 37 37 LEU HA H 1 4.765 0.010 33 1 . . . . 467 LEU HA . 11427 1 485 . 1 1 37 37 LEU HB2 H 1 1.618 0.009 27 2 . . . . 467 LEU QB . 11427 1 486 . 1 1 37 37 LEU HB3 H 1 1.618 0.009 27 2 . . . . 467 LEU QB . 11427 1 487 . 1 1 37 37 LEU HD11 H 1 0.893 0.005 4 2 . . . . 467 LEU MD1 . 11427 1 488 . 1 1 37 37 LEU HD12 H 1 0.893 0.005 4 2 . . . . 467 LEU MD1 . 11427 1 489 . 1 1 37 37 LEU HD13 H 1 0.893 0.005 4 2 . . . . 467 LEU MD1 . 11427 1 490 . 1 1 37 37 LEU HD21 H 1 0.845 0.007 12 2 . . . . 467 LEU MD2 . 11427 1 491 . 1 1 37 37 LEU HD22 H 1 0.845 0.007 12 2 . . . . 467 LEU MD2 . 11427 1 492 . 1 1 37 37 LEU HD23 H 1 0.845 0.007 12 2 . . . . 467 LEU MD2 . 11427 1 493 . 1 1 37 37 LEU HG H 1 1.439 0.012 9 1 . . . . 467 LEU HG . 11427 1 494 . 1 1 37 37 LEU CA C 13 51.854 0.073 14 1 . . . . 467 LEU CA . 11427 1 495 . 1 1 37 37 LEU CB C 13 42.597 0.098 19 1 . . . . 467 LEU CB . 11427 1 496 . 1 1 37 37 LEU CD1 C 13 25.150 0.065 4 2 . . . . 467 LEU CD1 . 11427 1 497 . 1 1 37 37 LEU CD2 C 13 23.788 0.084 11 2 . . . . 467 LEU CD2 . 11427 1 498 . 1 1 37 37 LEU CG C 13 26.113 0.081 4 1 . . . . 467 LEU CG . 11427 1 499 . 1 1 37 37 LEU N N 15 122.068 0.046 53 1 . . . . 467 LEU N . 11427 1 500 . 1 1 38 38 PRO HA H 1 4.818 0.010 36 1 . . . . 468 PRO HA . 11427 1 501 . 1 1 38 38 PRO HB2 H 1 1.740 0.007 19 2 . . . . 468 PRO HB2 . 11427 1 502 . 1 1 38 38 PRO HB3 H 1 1.533 0.010 21 2 . . . . 468 PRO HB3 . 11427 1 503 . 1 1 38 38 PRO HD2 H 1 3.899 0.010 38 2 . . . . 468 PRO HD2 . 11427 1 504 . 1 1 38 38 PRO HD3 H 1 3.299 0.008 39 2 . . . . 468 PRO HD3 . 11427 1 505 . 1 1 38 38 PRO HG2 H 1 2.085 0.013 26 2 . . . . 468 PRO HG2 . 11427 1 506 . 1 1 38 38 PRO HG3 H 1 1.592 0.010 25 2 . . . . 468 PRO HG3 . 11427 1 507 . 1 1 38 38 PRO C C 13 174.992 0.004 4 1 . . . . 468 PRO C . 11427 1 508 . 1 1 38 38 PRO CA C 13 62.580 0.106 24 1 . . . . 468 PRO CA . 11427 1 509 . 1 1 38 38 PRO CB C 13 33.357 0.139 27 1 . . . . 468 PRO CB . 11427 1 510 . 1 1 38 38 PRO CD C 13 48.899 0.061 43 1 . . . . 468 PRO CD . 11427 1 511 . 1 1 38 38 PRO CG C 13 26.239 0.082 27 1 . . . . 468 PRO CG . 11427 1 512 . 1 1 39 39 LEU H H 1 8.804 0.007 71 1 . . . . 469 LEU H . 11427 1 513 . 1 1 39 39 LEU HA H 1 4.911 0.013 28 1 . . . . 469 LEU HA . 11427 1 514 . 1 1 39 39 LEU HB2 H 1 1.604 0.006 13 2 . . . . 469 LEU HB2 . 11427 1 515 . 1 1 39 39 LEU HB3 H 1 1.643 0.009 13 2 . . . . 469 LEU HB3 . 11427 1 516 . 1 1 39 39 LEU HD11 H 1 0.881 0.006 11 2 . . . . 469 LEU MD1 . 11427 1 517 . 1 1 39 39 LEU HD12 H 1 0.881 0.006 11 2 . . . . 469 LEU MD1 . 11427 1 518 . 1 1 39 39 LEU HD13 H 1 0.881 0.006 11 2 . . . . 469 LEU MD1 . 11427 1 519 . 1 1 39 39 LEU HD21 H 1 0.841 0.006 11 2 . . . . 469 LEU MD2 . 11427 1 520 . 1 1 39 39 LEU HD22 H 1 0.841 0.006 11 2 . . . . 469 LEU MD2 . 11427 1 521 . 1 1 39 39 LEU HD23 H 1 0.841 0.006 11 2 . . . . 469 LEU MD2 . 11427 1 522 . 1 1 39 39 LEU HG H 1 1.591 0.010 11 1 . . . . 469 LEU HG . 11427 1 523 . 1 1 39 39 LEU C C 13 176.072 0.002 4 1 . . . . 469 LEU C . 11427 1 524 . 1 1 39 39 LEU CA C 13 54.625 0.109 19 1 . . . . 469 LEU CA . 11427 1 525 . 1 1 39 39 LEU CB C 13 43.664 0.079 29 1 . . . . 469 LEU CB . 11427 1 526 . 1 1 39 39 LEU CD1 C 13 24.966 0.154 10 2 . . . . 469 LEU CD1 . 11427 1 527 . 1 1 39 39 LEU CD2 C 13 25.485 0.081 8 2 . . . . 469 LEU CD2 . 11427 1 528 . 1 1 39 39 LEU CG C 13 27.943 0.081 15 1 . . . . 469 LEU CG . 11427 1 529 . 1 1 39 39 LEU N N 15 120.872 0.060 57 1 . . . . 469 LEU N . 11427 1 530 . 1 1 40 40 VAL H H 1 8.841 0.006 63 1 . . . . 470 VAL H . 11427 1 531 . 1 1 40 40 VAL HA H 1 4.776 0.011 36 1 . . . . 470 VAL HA . 11427 1 532 . 1 1 40 40 VAL HB H 1 2.001 0.011 20 1 . . . . 470 VAL HB . 11427 1 533 . 1 1 40 40 VAL HG11 H 1 0.718 0.011 16 2 . . . . 470 VAL MG1 . 11427 1 534 . 1 1 40 40 VAL HG12 H 1 0.718 0.011 16 2 . . . . 470 VAL MG1 . 11427 1 535 . 1 1 40 40 VAL HG13 H 1 0.718 0.011 16 2 . . . . 470 VAL MG1 . 11427 1 536 . 1 1 40 40 VAL HG21 H 1 0.841 0.007 18 2 . . . . 470 VAL MG2 . 11427 1 537 . 1 1 40 40 VAL HG22 H 1 0.841 0.007 18 2 . . . . 470 VAL MG2 . 11427 1 538 . 1 1 40 40 VAL HG23 H 1 0.841 0.007 18 2 . . . . 470 VAL MG2 . 11427 1 539 . 1 1 40 40 VAL C C 13 173.933 0.017 4 1 . . . . 470 VAL C . 11427 1 540 . 1 1 40 40 VAL CA C 13 61.195 0.080 24 1 . . . . 470 VAL CA . 11427 1 541 . 1 1 40 40 VAL CB C 13 33.229 0.082 12 1 . . . . 470 VAL CB . 11427 1 542 . 1 1 40 40 VAL CG1 C 13 21.179 0.111 9 2 . . . . 470 VAL CG1 . 11427 1 543 . 1 1 40 40 VAL CG2 C 13 20.514 0.160 10 2 . . . . 470 VAL CG2 . 11427 1 544 . 1 1 40 40 VAL N N 15 121.867 0.069 53 1 . . . . 470 VAL N . 11427 1 545 . 1 1 41 41 MET H H 1 9.311 0.008 79 1 . . . . 471 MET H . 11427 1 546 . 1 1 41 41 MET HA H 1 5.290 0.007 42 1 . . . . 471 MET HA . 11427 1 547 . 1 1 41 41 MET HB2 H 1 1.834 0.011 22 2 . . . . 471 MET HB2 . 11427 1 548 . 1 1 41 41 MET HB3 H 1 1.968 0.011 16 2 . . . . 471 MET HB3 . 11427 1 549 . 1 1 41 41 MET HG2 H 1 2.251 0.011 24 2 . . . . 471 MET QG . 11427 1 550 . 1 1 41 41 MET HG3 H 1 2.251 0.011 24 2 . . . . 471 MET QG . 11427 1 551 . 1 1 41 41 MET C C 13 173.788 0.008 4 1 . . . . 471 MET C . 11427 1 552 . 1 1 41 41 MET CA C 13 54.020 0.101 27 1 . . . . 471 MET CA . 11427 1 553 . 1 1 41 41 MET CB C 13 36.729 0.072 28 1 . . . . 471 MET CB . 11427 1 554 . 1 1 41 41 MET CG C 13 31.831 0.118 16 1 . . . . 471 MET CG . 11427 1 555 . 1 1 41 41 MET N N 15 127.469 0.028 63 1 . . . . 471 MET N . 11427 1 556 . 1 1 42 42 ILE H H 1 8.644 0.006 81 1 . . . . 472 ILE H . 11427 1 557 . 1 1 42 42 ILE HA H 1 4.492 0.009 40 1 . . . . 472 ILE HA . 11427 1 558 . 1 1 42 42 ILE HB H 1 1.724 0.010 30 1 . . . . 472 ILE HB . 11427 1 559 . 1 1 42 42 ILE HD11 H 1 0.785 0.005 36 1 . . . . 472 ILE MD . 11427 1 560 . 1 1 42 42 ILE HD12 H 1 0.785 0.005 36 1 . . . . 472 ILE MD . 11427 1 561 . 1 1 42 42 ILE HD13 H 1 0.785 0.005 36 1 . . . . 472 ILE MD . 11427 1 562 . 1 1 42 42 ILE HG12 H 1 1.402 0.012 29 2 . . . . 472 ILE HG12 . 11427 1 563 . 1 1 42 42 ILE HG13 H 1 1.115 0.011 27 2 . . . . 472 ILE HG13 . 11427 1 564 . 1 1 42 42 ILE HG21 H 1 0.843 0.012 31 1 . . . . 472 ILE MG . 11427 1 565 . 1 1 42 42 ILE HG22 H 1 0.843 0.012 31 1 . . . . 472 ILE MG . 11427 1 566 . 1 1 42 42 ILE HG23 H 1 0.843 0.012 31 1 . . . . 472 ILE MG . 11427 1 567 . 1 1 42 42 ILE C C 13 176.867 0.004 4 1 . . . . 472 ILE C . 11427 1 568 . 1 1 42 42 ILE CA C 13 60.250 0.081 23 1 . . . . 472 ILE CA . 11427 1 569 . 1 1 42 42 ILE CB C 13 38.371 0.099 17 1 . . . . 472 ILE CB . 11427 1 570 . 1 1 42 42 ILE CD1 C 13 15.027 0.057 39 1 . . . . 472 ILE CD1 . 11427 1 571 . 1 1 42 42 ILE CG1 C 13 28.070 0.134 30 1 . . . . 472 ILE CG1 . 11427 1 572 . 1 1 42 42 ILE CG2 C 13 18.337 0.151 24 1 . . . . 472 ILE CG2 . 11427 1 573 . 1 1 42 42 ILE N N 15 122.315 0.046 62 1 . . . . 472 ILE N . 11427 1 574 . 1 1 43 43 GLY H H 1 9.251 0.007 52 1 . . . . 473 GLY H . 11427 1 575 . 1 1 43 43 GLY HA2 H 1 4.082 0.008 19 2 . . . . 473 GLY HA2 . 11427 1 576 . 1 1 43 43 GLY HA3 H 1 3.634 0.007 25 2 . . . . 473 GLY HA3 . 11427 1 577 . 1 1 43 43 GLY C C 13 174.419 . 1 1 . . . . 473 GLY C . 11427 1 578 . 1 1 43 43 GLY CA C 13 46.960 0.149 29 1 . . . . 473 GLY CA . 11427 1 579 . 1 1 43 43 GLY N N 15 118.738 0.038 42 1 . . . . 473 GLY N . 11427 1 580 . 1 1 44 44 SER H H 1 8.791 0.007 29 1 . . . . 474 SER H . 11427 1 581 . 1 1 44 44 SER HA H 1 4.620 0.007 18 1 . . . . 474 SER HA . 11427 1 582 . 1 1 44 44 SER HB2 H 1 4.042 0.011 17 2 . . . . 474 SER HB2 . 11427 1 583 . 1 1 44 44 SER HB3 H 1 3.869 0.009 9 2 . . . . 474 SER HB3 . 11427 1 584 . 1 1 44 44 SER C C 13 173.849 0.010 3 1 . . . . 474 SER C . 11427 1 585 . 1 1 44 44 SER CA C 13 57.919 0.098 14 1 . . . . 474 SER CA . 11427 1 586 . 1 1 44 44 SER CB C 13 63.473 0.073 13 1 . . . . 474 SER CB . 11427 1 587 . 1 1 44 44 SER N N 15 122.065 0.052 25 1 . . . . 474 SER N . 11427 1 588 . 1 1 45 45 THR H H 1 8.348 0.004 74 1 . . . . 475 THR H . 11427 1 589 . 1 1 45 45 THR HA H 1 4.304 0.007 21 1 . . . . 475 THR HA . 11427 1 590 . 1 1 45 45 THR HB H 1 4.224 0.008 20 1 . . . . 475 THR HB . 11427 1 591 . 1 1 45 45 THR HG21 H 1 1.110 0.008 22 1 . . . . 475 THR MG . 11427 1 592 . 1 1 45 45 THR HG22 H 1 1.110 0.008 22 1 . . . . 475 THR MG . 11427 1 593 . 1 1 45 45 THR HG23 H 1 1.110 0.008 22 1 . . . . 475 THR MG . 11427 1 594 . 1 1 45 45 THR C C 13 173.011 0.008 4 1 . . . . 475 THR C . 11427 1 595 . 1 1 45 45 THR CA C 13 62.526 0.084 19 1 . . . . 475 THR CA . 11427 1 596 . 1 1 45 45 THR CB C 13 69.338 0.166 16 1 . . . . 475 THR CB . 11427 1 597 . 1 1 45 45 THR CG2 C 13 21.133 0.158 16 1 . . . . 475 THR CG2 . 11427 1 598 . 1 1 45 45 THR N N 15 120.323 0.029 60 1 . . . . 475 THR N . 11427 1 599 . 1 1 46 46 LEU H H 1 8.979 0.008 65 1 . . . . 476 LEU H . 11427 1 600 . 1 1 46 46 LEU HA H 1 4.457 0.009 36 1 . . . . 476 LEU HA . 11427 1 601 . 1 1 46 46 LEU HB2 H 1 1.735 0.005 12 2 . . . . 476 LEU HB2 . 11427 1 602 . 1 1 46 46 LEU HB3 H 1 1.696 0.008 9 2 . . . . 476 LEU HB3 . 11427 1 603 . 1 1 46 46 LEU HD11 H 1 0.902 0.006 9 2 . . . . 476 LEU MD1 . 11427 1 604 . 1 1 46 46 LEU HD12 H 1 0.902 0.006 9 2 . . . . 476 LEU MD1 . 11427 1 605 . 1 1 46 46 LEU HD13 H 1 0.902 0.006 9 2 . . . . 476 LEU MD1 . 11427 1 606 . 1 1 46 46 LEU HD21 H 1 0.827 0.012 7 2 . . . . 476 LEU MD2 . 11427 1 607 . 1 1 46 46 LEU HD22 H 1 0.827 0.012 7 2 . . . . 476 LEU MD2 . 11427 1 608 . 1 1 46 46 LEU HD23 H 1 0.827 0.012 7 2 . . . . 476 LEU MD2 . 11427 1 609 . 1 1 46 46 LEU HG H 1 1.486 0.012 22 1 . . . . 476 LEU HG . 11427 1 610 . 1 1 46 46 LEU C C 13 176.568 0.013 3 1 . . . . 476 LEU C . 11427 1 611 . 1 1 46 46 LEU CA C 13 55.827 0.154 22 1 . . . . 476 LEU CA . 11427 1 612 . 1 1 46 46 LEU CB C 13 42.330 0.105 28 1 . . . . 476 LEU CB . 11427 1 613 . 1 1 46 46 LEU CD1 C 13 24.511 0.091 15 2 . . . . 476 LEU CD1 . 11427 1 614 . 1 1 46 46 LEU CD2 C 13 25.407 0.188 8 2 . . . . 476 LEU CD2 . 11427 1 615 . 1 1 46 46 LEU CG C 13 27.856 0.082 18 1 . . . . 476 LEU CG . 11427 1 616 . 1 1 46 46 LEU N N 15 131.334 0.038 51 1 . . . . 476 LEU N . 11427 1 617 . 1 1 47 47 VAL H H 1 8.682 0.006 80 1 . . . . 477 VAL H . 11427 1 618 . 1 1 47 47 VAL HA H 1 4.583 0.014 26 1 . . . . 477 VAL HA . 11427 1 619 . 1 1 47 47 VAL HB H 1 2.174 0.007 32 1 . . . . 477 VAL HB . 11427 1 620 . 1 1 47 47 VAL HG11 H 1 1.011 0.014 41 2 . . . . 477 VAL MG1 . 11427 1 621 . 1 1 47 47 VAL HG12 H 1 1.011 0.014 41 2 . . . . 477 VAL MG1 . 11427 1 622 . 1 1 47 47 VAL HG13 H 1 1.011 0.014 41 2 . . . . 477 VAL MG1 . 11427 1 623 . 1 1 47 47 VAL HG21 H 1 0.834 0.010 24 2 . . . . 477 VAL MG2 . 11427 1 624 . 1 1 47 47 VAL HG22 H 1 0.834 0.010 24 2 . . . . 477 VAL MG2 . 11427 1 625 . 1 1 47 47 VAL HG23 H 1 0.834 0.010 24 2 . . . . 477 VAL MG2 . 11427 1 626 . 1 1 47 47 VAL C C 13 174.302 0.002 4 1 . . . . 477 VAL C . 11427 1 627 . 1 1 47 47 VAL CA C 13 60.874 0.104 17 1 . . . . 477 VAL CA . 11427 1 628 . 1 1 47 47 VAL CB C 13 33.255 0.069 25 1 . . . . 477 VAL CB . 11427 1 629 . 1 1 47 47 VAL CG1 C 13 21.490 0.079 25 2 . . . . 477 VAL CG1 . 11427 1 630 . 1 1 47 47 VAL CG2 C 13 19.384 0.152 18 2 . . . . 477 VAL CG2 . 11427 1 631 . 1 1 47 47 VAL N N 15 117.177 0.034 64 1 . . . . 477 VAL N . 11427 1 632 . 1 1 48 48 PHE H H 1 7.398 0.007 89 1 . . . . 478 PHE H . 11427 1 633 . 1 1 48 48 PHE HA H 1 3.761 0.009 38 1 . . . . 478 PHE HA . 11427 1 634 . 1 1 48 48 PHE HB2 H 1 3.176 0.009 23 2 . . . . 478 PHE HB2 . 11427 1 635 . 1 1 48 48 PHE HB3 H 1 2.183 0.006 28 2 . . . . 478 PHE HB3 . 11427 1 636 . 1 1 48 48 PHE HD1 H 1 6.959 0.011 31 3 . . . . 478 PHE QD . 11427 1 637 . 1 1 48 48 PHE HD2 H 1 6.959 0.011 31 3 . . . . 478 PHE QD . 11427 1 638 . 1 1 48 48 PHE HE1 H 1 7.233 0.019 23 3 . . . . 478 PHE QE . 11427 1 639 . 1 1 48 48 PHE HE2 H 1 7.233 0.019 23 3 . . . . 478 PHE QE . 11427 1 640 . 1 1 48 48 PHE C C 13 170.753 . 1 1 . . . . 478 PHE C . 11427 1 641 . 1 1 48 48 PHE CA C 13 60.718 0.077 26 1 . . . . 478 PHE CA . 11427 1 642 . 1 1 48 48 PHE CB C 13 42.258 0.097 24 1 . . . . 478 PHE CB . 11427 1 643 . 1 1 48 48 PHE CD1 C 13 130.482 0.135 20 3 . . . . 478 PHE CD1 . 11427 1 644 . 1 1 48 48 PHE CD2 C 13 130.482 0.135 20 3 . . . . 478 PHE CD2 . 11427 1 645 . 1 1 48 48 PHE CE1 C 13 131.787 0.094 10 3 . . . . 478 PHE CE1 . 11427 1 646 . 1 1 48 48 PHE CE2 C 13 131.787 0.094 10 3 . . . . 478 PHE CE2 . 11427 1 647 . 1 1 48 48 PHE N N 15 117.806 0.055 72 1 . . . . 478 PHE N . 11427 1 648 . 1 1 49 49 GLU H H 1 8.843 0.006 27 1 . . . . 479 GLU H . 11427 1 649 . 1 1 49 49 GLU HA H 1 4.211 0.012 25 1 . . . . 479 GLU HA . 11427 1 650 . 1 1 49 49 GLU HB2 H 1 1.637 0.009 26 2 . . . . 479 GLU QB . 11427 1 651 . 1 1 49 49 GLU HB3 H 1 1.637 0.009 26 2 . . . . 479 GLU QB . 11427 1 652 . 1 1 49 49 GLU HG2 H 1 1.939 0.012 4 2 . . . . 479 GLU HG2 . 11427 1 653 . 1 1 49 49 GLU HG3 H 1 1.845 0.006 12 2 . . . . 479 GLU HG3 . 11427 1 654 . 1 1 49 49 GLU C C 13 171.702 0.003 4 1 . . . . 479 GLU C . 11427 1 655 . 1 1 49 49 GLU CA C 13 54.846 0.066 15 1 . . . . 479 GLU CA . 11427 1 656 . 1 1 49 49 GLU CB C 13 32.529 0.077 14 1 . . . . 479 GLU CB . 11427 1 657 . 1 1 49 49 GLU CG C 13 35.623 0.088 14 1 . . . . 479 GLU CG . 11427 1 658 . 1 1 49 49 GLU N N 15 121.903 0.120 19 1 . . . . 479 GLU N . 11427 1 659 . 1 1 50 50 ASP H H 1 7.968 0.008 68 1 . . . . 480 ASP H . 11427 1 660 . 1 1 50 50 ASP HA H 1 4.460 0.011 24 1 . . . . 480 ASP HA . 11427 1 661 . 1 1 50 50 ASP HB2 H 1 2.584 0.009 9 2 . . . . 480 ASP HB2 . 11427 1 662 . 1 1 50 50 ASP HB3 H 1 2.519 0.006 9 2 . . . . 480 ASP HB3 . 11427 1 663 . 1 1 50 50 ASP C C 13 175.190 0.003 4 1 . . . . 480 ASP C . 11427 1 664 . 1 1 50 50 ASP CA C 13 52.436 0.049 17 1 . . . . 480 ASP CA . 11427 1 665 . 1 1 50 50 ASP CB C 13 43.210 0.093 20 1 . . . . 480 ASP CB . 11427 1 666 . 1 1 50 50 ASP N N 15 121.406 0.060 55 1 . . . . 480 ASP N . 11427 1 667 . 1 1 51 51 GLY H H 1 8.135 0.005 58 1 . . . . 481 GLY H . 11427 1 668 . 1 1 51 51 GLY HA2 H 1 4.035 0.009 13 2 . . . . 481 GLY HA2 . 11427 1 669 . 1 1 51 51 GLY HA3 H 1 3.827 0.008 16 2 . . . . 481 GLY HA3 . 11427 1 670 . 1 1 51 51 GLY C C 13 173.501 0.008 3 1 . . . . 481 GLY C . 11427 1 671 . 1 1 51 51 GLY CA C 13 44.661 0.077 16 1 . . . . 481 GLY CA . 11427 1 672 . 1 1 51 51 GLY N N 15 107.105 0.028 48 1 . . . . 481 GLY N . 11427 1 673 . 1 1 52 52 GLU H H 1 8.281 0.006 52 1 . . . . 482 GLU H . 11427 1 674 . 1 1 52 52 GLU HA H 1 4.295 0.011 21 1 . . . . 482 GLU HA . 11427 1 675 . 1 1 52 52 GLU HB2 H 1 2.021 0.012 6 2 . . . . 482 GLU HB2 . 11427 1 676 . 1 1 52 52 GLU HB3 H 1 1.920 0.020 11 2 . . . . 482 GLU HB3 . 11427 1 677 . 1 1 52 52 GLU HG2 H 1 2.231 0.006 12 2 . . . . 482 GLU QG . 11427 1 678 . 1 1 52 52 GLU HG3 H 1 2.231 0.006 12 2 . . . . 482 GLU QG . 11427 1 679 . 1 1 52 52 GLU C C 13 177.108 0.004 4 1 . . . . 482 GLU C . 11427 1 680 . 1 1 52 52 GLU CA C 13 56.460 0.136 18 1 . . . . 482 GLU CA . 11427 1 681 . 1 1 52 52 GLU CB C 13 30.105 0.139 8 1 . . . . 482 GLU CB . 11427 1 682 . 1 1 52 52 GLU CG C 13 36.020 0.063 8 1 . . . . 482 GLU CG . 11427 1 683 . 1 1 52 52 GLU N N 15 119.241 0.031 41 1 . . . . 482 GLU N . 11427 1 684 . 1 1 53 53 GLY H H 1 8.676 0.006 50 1 . . . . 483 GLY H . 11427 1 685 . 1 1 53 53 GLY HA2 H 1 3.915 0.004 8 2 . . . . 483 GLY HA2 . 11427 1 686 . 1 1 53 53 GLY HA3 H 1 3.836 0.011 13 2 . . . . 483 GLY HA3 . 11427 1 687 . 1 1 53 53 GLY C C 13 174.311 0.002 3 1 . . . . 483 GLY C . 11427 1 688 . 1 1 53 53 GLY CA C 13 45.354 0.098 22 1 . . . . 483 GLY CA . 11427 1 689 . 1 1 53 53 GLY N N 15 109.689 0.022 40 1 . . . . 483 GLY N . 11427 1 690 . 1 1 54 54 LEU H H 1 7.494 0.008 66 1 . . . . 484 LEU H . 11427 1 691 . 1 1 54 54 LEU HA H 1 4.325 0.008 26 1 . . . . 484 LEU HA . 11427 1 692 . 1 1 54 54 LEU HB2 H 1 1.682 0.010 25 2 . . . . 484 LEU HB2 . 11427 1 693 . 1 1 54 54 LEU HB3 H 1 1.478 0.011 31 2 . . . . 484 LEU HB3 . 11427 1 694 . 1 1 54 54 LEU HD11 H 1 0.805 0.004 19 2 . . . . 484 LEU MD1 . 11427 1 695 . 1 1 54 54 LEU HD12 H 1 0.805 0.004 19 2 . . . . 484 LEU MD1 . 11427 1 696 . 1 1 54 54 LEU HD13 H 1 0.805 0.004 19 2 . . . . 484 LEU MD1 . 11427 1 697 . 1 1 54 54 LEU HD21 H 1 0.750 0.004 24 2 . . . . 484 LEU MD2 . 11427 1 698 . 1 1 54 54 LEU HD22 H 1 0.750 0.004 24 2 . . . . 484 LEU MD2 . 11427 1 699 . 1 1 54 54 LEU HD23 H 1 0.750 0.004 24 2 . . . . 484 LEU MD2 . 11427 1 700 . 1 1 54 54 LEU HG H 1 1.525 0.012 11 1 . . . . 484 LEU HG . 11427 1 701 . 1 1 54 54 LEU C C 13 177.738 0.017 4 1 . . . . 484 LEU C . 11427 1 702 . 1 1 54 54 LEU CA C 13 54.293 0.050 17 1 . . . . 484 LEU CA . 11427 1 703 . 1 1 54 54 LEU CB C 13 42.517 0.095 35 1 . . . . 484 LEU CB . 11427 1 704 . 1 1 54 54 LEU CD1 C 13 25.820 0.098 21 2 . . . . 484 LEU CD1 . 11427 1 705 . 1 1 54 54 LEU CD2 C 13 22.883 0.098 29 2 . . . . 484 LEU CD2 . 11427 1 706 . 1 1 54 54 LEU CG C 13 26.498 0.132 12 1 . . . . 484 LEU CG . 11427 1 707 . 1 1 54 54 LEU N N 15 119.957 0.046 50 1 . . . . 484 LEU N . 11427 1 708 . 1 1 55 55 GLU H H 1 8.861 0.009 61 1 . . . . 485 GLU H . 11427 1 709 . 1 1 55 55 GLU HA H 1 4.259 0.012 21 1 . . . . 485 GLU HA . 11427 1 710 . 1 1 55 55 GLU HB2 H 1 1.917 0.010 20 2 . . . . 485 GLU HB2 . 11427 1 711 . 1 1 55 55 GLU HB3 H 1 2.268 0.017 15 2 . . . . 485 GLU HB3 . 11427 1 712 . 1 1 55 55 GLU HG2 H 1 2.452 0.005 14 2 . . . . 485 GLU HG2 . 11427 1 713 . 1 1 55 55 GLU HG3 H 1 2.338 0.013 11 2 . . . . 485 GLU HG3 . 11427 1 714 . 1 1 55 55 GLU C C 13 177.335 0.016 4 1 . . . . 485 GLU C . 11427 1 715 . 1 1 55 55 GLU CA C 13 56.077 0.096 13 1 . . . . 485 GLU CA . 11427 1 716 . 1 1 55 55 GLU CB C 13 29.740 0.103 20 1 . . . . 485 GLU CB . 11427 1 717 . 1 1 55 55 GLU CG C 13 36.171 0.053 25 1 . . . . 485 GLU CG . 11427 1 718 . 1 1 55 55 GLU N N 15 122.308 0.061 46 1 . . . . 485 GLU N . 11427 1 719 . 1 1 56 56 GLU H H 1 8.844 0.008 42 1 . . . . 486 GLU H . 11427 1 720 . 1 1 56 56 GLU HA H 1 3.943 0.009 22 1 . . . . 486 GLU HA . 11427 1 721 . 1 1 56 56 GLU HB2 H 1 2.039 0.007 17 2 . . . . 486 GLU QB . 11427 1 722 . 1 1 56 56 GLU HB3 H 1 2.039 0.007 17 2 . . . . 486 GLU QB . 11427 1 723 . 1 1 56 56 GLU HG2 H 1 2.335 0.006 8 2 . . . . 486 GLU HG2 . 11427 1 724 . 1 1 56 56 GLU HG3 H 1 2.280 0.002 5 2 . . . . 486 GLU HG3 . 11427 1 725 . 1 1 56 56 GLU C C 13 178.467 0.017 4 1 . . . . 486 GLU C . 11427 1 726 . 1 1 56 56 GLU CA C 13 59.791 0.099 21 1 . . . . 486 GLU CA . 11427 1 727 . 1 1 56 56 GLU CB C 13 29.571 0.045 6 1 . . . . 486 GLU CB . 11427 1 728 . 1 1 56 56 GLU CG C 13 36.128 0.044 14 1 . . . . 486 GLU CG . 11427 1 729 . 1 1 56 56 GLU N N 15 122.436 0.043 32 1 . . . . 486 GLU N . 11427 1 730 . 1 1 57 57 ASP H H 1 8.862 0.007 54 1 . . . . 487 ASP H . 11427 1 731 . 1 1 57 57 ASP HA H 1 4.361 0.009 20 1 . . . . 487 ASP HA . 11427 1 732 . 1 1 57 57 ASP HB2 H 1 2.619 0.004 25 2 . . . . 487 ASP QB . 11427 1 733 . 1 1 57 57 ASP HB3 H 1 2.619 0.004 25 2 . . . . 487 ASP QB . 11427 1 734 . 1 1 57 57 ASP C C 13 178.101 0.009 4 1 . . . . 487 ASP C . 11427 1 735 . 1 1 57 57 ASP CA C 13 56.550 0.098 19 1 . . . . 487 ASP CA . 11427 1 736 . 1 1 57 57 ASP CB C 13 39.451 0.065 18 1 . . . . 487 ASP CB . 11427 1 737 . 1 1 57 57 ASP N N 15 118.370 0.033 41 1 . . . . 487 ASP N . 11427 1 738 . 1 1 58 58 GLU H H 1 7.406 0.005 71 1 . . . . 488 GLU H . 11427 1 739 . 1 1 58 58 GLU HA H 1 3.871 0.009 30 1 . . . . 488 GLU HA . 11427 1 740 . 1 1 58 58 GLU HB2 H 1 2.030 0.008 16 2 . . . . 488 GLU HB2 . 11427 1 741 . 1 1 58 58 GLU HB3 H 1 1.850 0.014 26 2 . . . . 488 GLU HB3 . 11427 1 742 . 1 1 58 58 GLU HG2 H 1 2.187 0.011 14 2 . . . . 488 GLU QG . 11427 1 743 . 1 1 58 58 GLU HG3 H 1 2.187 0.011 14 2 . . . . 488 GLU QG . 11427 1 744 . 1 1 58 58 GLU C C 13 177.302 0.009 4 1 . . . . 488 GLU C . 11427 1 745 . 1 1 58 58 GLU CA C 13 58.226 0.076 21 1 . . . . 488 GLU CA . 11427 1 746 . 1 1 58 58 GLU CB C 13 29.209 0.087 21 1 . . . . 488 GLU CB . 11427 1 747 . 1 1 58 58 GLU CG C 13 36.172 0.064 11 1 . . . . 488 GLU CG . 11427 1 748 . 1 1 58 58 GLU N N 15 121.029 0.025 58 1 . . . . 488 GLU N . 11427 1 749 . 1 1 59 59 ALA H H 1 8.249 0.006 69 1 . . . . 489 ALA H . 11427 1 750 . 1 1 59 59 ALA HA H 1 4.044 0.006 42 1 . . . . 489 ALA HA . 11427 1 751 . 1 1 59 59 ALA HB1 H 1 1.444 0.008 37 1 . . . . 489 ALA MB . 11427 1 752 . 1 1 59 59 ALA HB2 H 1 1.444 0.008 37 1 . . . . 489 ALA MB . 11427 1 753 . 1 1 59 59 ALA HB3 H 1 1.444 0.008 37 1 . . . . 489 ALA MB . 11427 1 754 . 1 1 59 59 ALA C C 13 180.240 0.011 4 1 . . . . 489 ALA C . 11427 1 755 . 1 1 59 59 ALA CA C 13 54.841 0.051 28 1 . . . . 489 ALA CA . 11427 1 756 . 1 1 59 59 ALA CB C 13 17.852 0.080 29 1 . . . . 489 ALA CB . 11427 1 757 . 1 1 59 59 ALA N N 15 120.380 0.059 56 1 . . . . 489 ALA N . 11427 1 758 . 1 1 60 60 ALA H H 1 8.072 0.006 69 1 . . . . 490 ALA H . 11427 1 759 . 1 1 60 60 ALA HA H 1 4.179 0.007 23 1 . . . . 490 ALA HA . 11427 1 760 . 1 1 60 60 ALA HB1 H 1 1.470 0.008 33 1 . . . . 490 ALA MB . 11427 1 761 . 1 1 60 60 ALA HB2 H 1 1.470 0.008 33 1 . . . . 490 ALA MB . 11427 1 762 . 1 1 60 60 ALA HB3 H 1 1.470 0.008 33 1 . . . . 490 ALA MB . 11427 1 763 . 1 1 60 60 ALA C C 13 179.916 0.017 4 1 . . . . 490 ALA C . 11427 1 764 . 1 1 60 60 ALA CA C 13 54.531 0.089 12 1 . . . . 490 ALA CA . 11427 1 765 . 1 1 60 60 ALA CB C 13 17.697 0.078 23 1 . . . . 490 ALA CB . 11427 1 766 . 1 1 60 60 ALA N N 15 120.470 0.032 55 1 . . . . 490 ALA N . 11427 1 767 . 1 1 61 61 ASN H H 1 7.616 0.005 77 1 . . . . 491 ASN H . 11427 1 768 . 1 1 61 61 ASN HA H 1 4.461 0.012 27 1 . . . . 491 ASN HA . 11427 1 769 . 1 1 61 61 ASN HB2 H 1 2.699 0.006 16 2 . . . . 491 ASN HB2 . 11427 1 770 . 1 1 61 61 ASN HB3 H 1 2.637 0.008 18 2 . . . . 491 ASN HB3 . 11427 1 771 . 1 1 61 61 ASN HD21 H 1 7.293 0.006 57 2 . . . . 491 ASN HD21 . 11427 1 772 . 1 1 61 61 ASN HD22 H 1 6.891 0.006 52 2 . . . . 491 ASN HD22 . 11427 1 773 . 1 1 61 61 ASN C C 13 177.610 0.008 4 1 . . . . 491 ASN C . 11427 1 774 . 1 1 61 61 ASN CA C 13 55.810 0.080 19 1 . . . . 491 ASN CA . 11427 1 775 . 1 1 61 61 ASN CB C 13 37.908 0.108 40 1 . . . . 491 ASN CB . 11427 1 776 . 1 1 61 61 ASN CG C 13 175.780 0.017 4 1 . . . . 491 ASN CG . 11427 1 777 . 1 1 61 61 ASN N N 15 117.731 0.040 61 1 . . . . 491 ASN N . 11427 1 778 . 1 1 61 61 ASN ND2 N 15 113.339 0.043 67 1 . . . . 491 ASN ND2 . 11427 1 779 . 1 1 62 62 TYR H H 1 8.090 0.006 88 1 . . . . 492 TYR H . 11427 1 780 . 1 1 62 62 TYR HA H 1 4.752 0.010 37 1 . . . . 492 TYR HA . 11427 1 781 . 1 1 62 62 TYR HB2 H 1 3.107 0.008 36 2 . . . . 492 TYR HB2 . 11427 1 782 . 1 1 62 62 TYR HB3 H 1 3.414 0.010 40 2 . . . . 492 TYR HB3 . 11427 1 783 . 1 1 62 62 TYR HD1 H 1 6.972 0.012 40 3 . . . . 492 TYR QD . 11427 1 784 . 1 1 62 62 TYR HD2 H 1 6.972 0.012 40 3 . . . . 492 TYR QD . 11427 1 785 . 1 1 62 62 TYR HE1 H 1 6.587 0.011 41 3 . . . . 492 TYR QE . 11427 1 786 . 1 1 62 62 TYR HE2 H 1 6.587 0.011 41 3 . . . . 492 TYR QE . 11427 1 787 . 1 1 62 62 TYR C C 13 177.625 0.005 4 1 . . . . 492 TYR C . 11427 1 788 . 1 1 62 62 TYR CA C 13 58.977 0.077 22 1 . . . . 492 TYR CA . 11427 1 789 . 1 1 62 62 TYR CB C 13 36.275 0.105 43 1 . . . . 492 TYR CB . 11427 1 790 . 1 1 62 62 TYR CD1 C 13 131.732 0.159 29 3 . . . . 492 TYR CD1 . 11427 1 791 . 1 1 62 62 TYR CD2 C 13 131.732 0.159 29 3 . . . . 492 TYR CD2 . 11427 1 792 . 1 1 62 62 TYR CE1 C 13 118.219 0.089 20 3 . . . . 492 TYR CE1 . 11427 1 793 . 1 1 62 62 TYR CE2 C 13 118.219 0.089 20 3 . . . . 492 TYR CE2 . 11427 1 794 . 1 1 62 62 TYR N N 15 119.517 0.025 72 1 . . . . 492 TYR N . 11427 1 795 . 1 1 63 63 ALA H H 1 8.169 0.005 66 1 . . . . 493 ALA H . 11427 1 796 . 1 1 63 63 ALA HA H 1 4.289 0.009 22 1 . . . . 493 ALA HA . 11427 1 797 . 1 1 63 63 ALA HB1 H 1 1.595 0.009 32 1 . . . . 493 ALA MB . 11427 1 798 . 1 1 63 63 ALA HB2 H 1 1.595 0.009 32 1 . . . . 493 ALA MB . 11427 1 799 . 1 1 63 63 ALA HB3 H 1 1.595 0.009 32 1 . . . . 493 ALA MB . 11427 1 800 . 1 1 63 63 ALA C C 13 181.113 0.010 4 1 . . . . 493 ALA C . 11427 1 801 . 1 1 63 63 ALA CA C 13 55.000 0.073 16 1 . . . . 493 ALA CA . 11427 1 802 . 1 1 63 63 ALA CB C 13 17.483 0.071 29 1 . . . . 493 ALA CB . 11427 1 803 . 1 1 63 63 ALA N N 15 120.779 0.034 60 1 . . . . 493 ALA N . 11427 1 804 . 1 1 64 64 LEU H H 1 7.726 0.006 73 1 . . . . 494 LEU H . 11427 1 805 . 1 1 64 64 LEU HA H 1 4.187 0.014 35 1 . . . . 494 LEU HA . 11427 1 806 . 1 1 64 64 LEU HB2 H 1 2.034 0.008 32 2 . . . . 494 LEU HB2 . 11427 1 807 . 1 1 64 64 LEU HB3 H 1 1.556 0.008 28 2 . . . . 494 LEU HB3 . 11427 1 808 . 1 1 64 64 LEU HD11 H 1 0.964 0.009 17 2 . . . . 494 LEU MD1 . 11427 1 809 . 1 1 64 64 LEU HD12 H 1 0.964 0.009 17 2 . . . . 494 LEU MD1 . 11427 1 810 . 1 1 64 64 LEU HD13 H 1 0.964 0.009 17 2 . . . . 494 LEU MD1 . 11427 1 811 . 1 1 64 64 LEU HD21 H 1 0.917 0.008 10 2 . . . . 494 LEU MD2 . 11427 1 812 . 1 1 64 64 LEU HD22 H 1 0.917 0.008 10 2 . . . . 494 LEU MD2 . 11427 1 813 . 1 1 64 64 LEU HD23 H 1 0.917 0.008 10 2 . . . . 494 LEU MD2 . 11427 1 814 . 1 1 64 64 LEU HG H 1 1.848 0.012 28 1 . . . . 494 LEU HG . 11427 1 815 . 1 1 64 64 LEU C C 13 180.423 0.014 4 1 . . . . 494 LEU C . 11427 1 816 . 1 1 64 64 LEU CA C 13 57.289 0.090 21 1 . . . . 494 LEU CA . 11427 1 817 . 1 1 64 64 LEU CB C 13 41.313 0.057 38 1 . . . . 494 LEU CB . 11427 1 818 . 1 1 64 64 LEU CD1 C 13 24.856 0.069 15 2 . . . . 494 LEU CD1 . 11427 1 819 . 1 1 64 64 LEU CD2 C 13 22.871 0.131 12 2 . . . . 494 LEU CD2 . 11427 1 820 . 1 1 64 64 LEU CG C 13 26.350 0.070 12 1 . . . . 494 LEU CG . 11427 1 821 . 1 1 64 64 LEU N N 15 118.496 0.032 59 1 . . . . 494 LEU N . 11427 1 822 . 1 1 65 65 ASN H H 1 8.206 0.005 85 1 . . . . 495 ASN H . 11427 1 823 . 1 1 65 65 ASN HA H 1 4.359 0.012 27 1 . . . . 495 ASN HA . 11427 1 824 . 1 1 65 65 ASN HB2 H 1 3.482 0.009 38 2 . . . . 495 ASN HB2 . 11427 1 825 . 1 1 65 65 ASN HB3 H 1 2.667 0.008 34 2 . . . . 495 ASN HB3 . 11427 1 826 . 1 1 65 65 ASN HD21 H 1 8.402 0.009 69 2 . . . . 495 ASN HD21 . 11427 1 827 . 1 1 65 65 ASN HD22 H 1 7.151 0.006 66 2 . . . . 495 ASN HD22 . 11427 1 828 . 1 1 65 65 ASN C C 13 177.175 0.007 4 1 . . . . 495 ASN C . 11427 1 829 . 1 1 65 65 ASN CA C 13 55.169 0.119 21 1 . . . . 495 ASN CA . 11427 1 830 . 1 1 65 65 ASN CB C 13 36.734 0.075 42 1 . . . . 495 ASN CB . 11427 1 831 . 1 1 65 65 ASN CG C 13 173.987 0.026 4 1 . . . . 495 ASN CG . 11427 1 832 . 1 1 65 65 ASN N N 15 119.366 0.087 69 1 . . . . 495 ASN N . 11427 1 833 . 1 1 65 65 ASN ND2 N 15 107.512 0.060 100 1 . . . . 495 ASN ND2 . 11427 1 834 . 1 1 66 66 LEU H H 1 7.776 0.007 79 1 . . . . 496 LEU H . 11427 1 835 . 1 1 66 66 LEU HA H 1 3.767 0.006 45 1 . . . . 496 LEU HA . 11427 1 836 . 1 1 66 66 LEU HB2 H 1 2.242 0.011 39 2 . . . . 496 LEU HB2 . 11427 1 837 . 1 1 66 66 LEU HB3 H 1 1.259 0.013 41 2 . . . . 496 LEU HB3 . 11427 1 838 . 1 1 66 66 LEU HD11 H 1 0.955 0.016 34 2 . . . . 496 LEU MD1 . 11427 1 839 . 1 1 66 66 LEU HD12 H 1 0.955 0.016 34 2 . . . . 496 LEU MD1 . 11427 1 840 . 1 1 66 66 LEU HD13 H 1 0.955 0.016 34 2 . . . . 496 LEU MD1 . 11427 1 841 . 1 1 66 66 LEU HD21 H 1 0.197 0.010 65 2 . . . . 496 LEU MD2 . 11427 1 842 . 1 1 66 66 LEU HD22 H 1 0.197 0.010 65 2 . . . . 496 LEU MD2 . 11427 1 843 . 1 1 66 66 LEU HD23 H 1 0.197 0.010 65 2 . . . . 496 LEU MD2 . 11427 1 844 . 1 1 66 66 LEU HG H 1 1.996 0.011 23 1 . . . . 496 LEU HG . 11427 1 845 . 1 1 66 66 LEU C C 13 177.175 0.008 4 1 . . . . 496 LEU C . 11427 1 846 . 1 1 66 66 LEU CA C 13 57.668 0.074 32 1 . . . . 496 LEU CA . 11427 1 847 . 1 1 66 66 LEU CB C 13 42.556 0.059 47 1 . . . . 496 LEU CB . 11427 1 848 . 1 1 66 66 LEU CD1 C 13 25.034 0.112 20 2 . . . . 496 LEU CD1 . 11427 1 849 . 1 1 66 66 LEU CD2 C 13 22.602 0.056 39 2 . . . . 496 LEU CD2 . 11427 1 850 . 1 1 66 66 LEU CG C 13 25.968 0.156 8 1 . . . . 496 LEU CG . 11427 1 851 . 1 1 66 66 LEU N N 15 116.258 0.046 63 1 . . . . 496 LEU N . 11427 1 852 . 1 1 67 67 GLU H H 1 6.921 0.008 84 1 . . . . 497 GLU H . 11427 1 853 . 1 1 67 67 GLU HA H 1 4.421 0.011 26 1 . . . . 497 GLU HA . 11427 1 854 . 1 1 67 67 GLU HB2 H 1 1.843 0.009 20 2 . . . . 497 GLU HB2 . 11427 1 855 . 1 1 67 67 GLU HB3 H 1 2.459 0.007 20 2 . . . . 497 GLU HB3 . 11427 1 856 . 1 1 67 67 GLU HG2 H 1 2.474 0.011 14 2 . . . . 497 GLU HG2 . 11427 1 857 . 1 1 67 67 GLU HG3 H 1 2.298 0.009 9 2 . . . . 497 GLU HG3 . 11427 1 858 . 1 1 67 67 GLU C C 13 175.732 0.009 4 1 . . . . 497 GLU C . 11427 1 859 . 1 1 67 67 GLU CA C 13 54.410 0.080 16 1 . . . . 497 GLU CA . 11427 1 860 . 1 1 67 67 GLU CB C 13 29.911 0.152 20 1 . . . . 497 GLU CB . 11427 1 861 . 1 1 67 67 GLU CG C 13 35.306 0.109 14 1 . . . . 497 GLU CG . 11427 1 862 . 1 1 67 67 GLU N N 15 111.823 0.043 69 1 . . . . 497 GLU N . 11427 1 863 . 1 1 68 68 LYS H H 1 7.552 0.005 82 1 . . . . 498 LYS H . 11427 1 864 . 1 1 68 68 LYS HA H 1 4.443 0.014 26 1 . . . . 498 LYS HA . 11427 1 865 . 1 1 68 68 LYS HB2 H 1 2.014 0.013 15 2 . . . . 498 LYS HB2 . 11427 1 866 . 1 1 68 68 LYS HB3 H 1 1.713 0.016 17 2 . . . . 498 LYS HB3 . 11427 1 867 . 1 1 68 68 LYS HD2 H 1 1.827 0.009 7 2 . . . . 498 LYS QD . 11427 1 868 . 1 1 68 68 LYS HD3 H 1 1.827 0.009 7 2 . . . . 498 LYS QD . 11427 1 869 . 1 1 68 68 LYS HE2 H 1 2.988 0.003 4 2 . . . . 498 LYS HE2 . 11427 1 870 . 1 1 68 68 LYS HE3 H 1 2.916 0.000 3 2 . . . . 498 LYS HE3 . 11427 1 871 . 1 1 68 68 LYS HG2 H 1 1.747 0.009 9 2 . . . . 498 LYS HG2 . 11427 1 872 . 1 1 68 68 LYS HG3 H 1 1.487 0.012 8 2 . . . . 498 LYS HG3 . 11427 1 873 . 1 1 68 68 LYS C C 13 176.596 0.004 4 1 . . . . 498 LYS C . 11427 1 874 . 1 1 68 68 LYS CA C 13 55.477 0.114 17 1 . . . . 498 LYS CA . 11427 1 875 . 1 1 68 68 LYS CB C 13 33.335 0.120 21 1 . . . . 498 LYS CB . 11427 1 876 . 1 1 68 68 LYS CD C 13 29.705 0.062 8 1 . . . . 498 LYS CD . 11427 1 877 . 1 1 68 68 LYS CE C 13 42.388 0.081 10 1 . . . . 498 LYS CE . 11427 1 878 . 1 1 68 68 LYS CG C 13 25.573 0.069 13 1 . . . . 498 LYS CG . 11427 1 879 . 1 1 68 68 LYS N N 15 120.875 0.047 66 1 . . . . 498 LYS N . 11427 1 880 . 1 1 69 69 VAL H H 1 8.249 0.007 67 1 . . . . 499 VAL H . 11427 1 881 . 1 1 69 69 VAL HA H 1 4.571 0.009 14 1 . . . . 499 VAL HA . 11427 1 882 . 1 1 69 69 VAL HB H 1 1.906 0.011 18 1 . . . . 499 VAL HB . 11427 1 883 . 1 1 69 69 VAL HG11 H 1 0.803 0.004 15 2 . . . . 499 VAL MG1 . 11427 1 884 . 1 1 69 69 VAL HG12 H 1 0.803 0.004 15 2 . . . . 499 VAL MG1 . 11427 1 885 . 1 1 69 69 VAL HG13 H 1 0.803 0.004 15 2 . . . . 499 VAL MG1 . 11427 1 886 . 1 1 69 69 VAL HG21 H 1 0.868 0.008 12 2 . . . . 499 VAL MG2 . 11427 1 887 . 1 1 69 69 VAL HG22 H 1 0.868 0.008 12 2 . . . . 499 VAL MG2 . 11427 1 888 . 1 1 69 69 VAL HG23 H 1 0.868 0.008 12 2 . . . . 499 VAL MG2 . 11427 1 889 . 1 1 69 69 VAL C C 13 178.072 0.003 4 1 . . . . 499 VAL C . 11427 1 890 . 1 1 69 69 VAL CA C 13 60.541 0.105 19 1 . . . . 499 VAL CA . 11427 1 891 . 1 1 69 69 VAL CB C 13 32.150 0.130 11 1 . . . . 499 VAL CB . 11427 1 892 . 1 1 69 69 VAL CG1 C 13 21.338 0.070 19 2 . . . . 499 VAL CG1 . 11427 1 893 . 1 1 69 69 VAL CG2 C 13 18.882 0.110 15 2 . . . . 499 VAL CG2 . 11427 1 894 . 1 1 69 69 VAL N N 15 114.475 0.049 55 1 . . . . 499 VAL N . 11427 1 895 . 1 1 70 70 LEU H H 1 7.910 0.007 81 1 . . . . 500 LEU H . 11427 1 896 . 1 1 70 70 LEU HA H 1 3.846 0.008 28 1 . . . . 500 LEU HA . 11427 1 897 . 1 1 70 70 LEU HB2 H 1 2.064 0.014 27 2 . . . . 500 LEU HB2 . 11427 1 898 . 1 1 70 70 LEU HB3 H 1 1.816 0.011 28 2 . . . . 500 LEU HB3 . 11427 1 899 . 1 1 70 70 LEU HD11 H 1 0.760 0.008 13 2 . . . . 500 LEU MD1 . 11427 1 900 . 1 1 70 70 LEU HD12 H 1 0.760 0.008 13 2 . . . . 500 LEU MD1 . 11427 1 901 . 1 1 70 70 LEU HD13 H 1 0.760 0.008 13 2 . . . . 500 LEU MD1 . 11427 1 902 . 1 1 70 70 LEU HD21 H 1 0.697 0.005 22 2 . . . . 500 LEU MD2 . 11427 1 903 . 1 1 70 70 LEU HD22 H 1 0.697 0.005 22 2 . . . . 500 LEU MD2 . 11427 1 904 . 1 1 70 70 LEU HD23 H 1 0.697 0.005 22 2 . . . . 500 LEU MD2 . 11427 1 905 . 1 1 70 70 LEU HG H 1 1.946 0.012 13 1 . . . . 500 LEU HG . 11427 1 906 . 1 1 70 70 LEU C C 13 178.793 0.005 4 1 . . . . 500 LEU C . 11427 1 907 . 1 1 70 70 LEU CA C 13 57.823 0.038 17 1 . . . . 500 LEU CA . 11427 1 908 . 1 1 70 70 LEU CB C 13 39.790 0.102 39 1 . . . . 500 LEU CB . 11427 1 909 . 1 1 70 70 LEU CD1 C 13 26.117 0.071 15 2 . . . . 500 LEU CD1 . 11427 1 910 . 1 1 70 70 LEU CD2 C 13 21.518 0.118 21 2 . . . . 500 LEU CD2 . 11427 1 911 . 1 1 70 70 LEU CG C 13 26.199 0.082 11 1 . . . . 500 LEU CG . 11427 1 912 . 1 1 70 70 LEU N N 15 121.004 0.042 60 1 . . . . 500 LEU N . 11427 1 913 . 1 1 71 71 ALA H H 1 8.506 0.005 70 1 . . . . 501 ALA H . 11427 1 914 . 1 1 71 71 ALA HA H 1 4.082 0.005 24 1 . . . . 501 ALA HA . 11427 1 915 . 1 1 71 71 ALA HB1 H 1 1.296 0.007 33 1 . . . . 501 ALA MB . 11427 1 916 . 1 1 71 71 ALA HB2 H 1 1.296 0.007 33 1 . . . . 501 ALA MB . 11427 1 917 . 1 1 71 71 ALA HB3 H 1 1.296 0.007 33 1 . . . . 501 ALA MB . 11427 1 918 . 1 1 71 71 ALA C C 13 176.825 0.007 4 1 . . . . 501 ALA C . 11427 1 919 . 1 1 71 71 ALA CA C 13 53.747 0.086 17 1 . . . . 501 ALA CA . 11427 1 920 . 1 1 71 71 ALA CB C 13 19.019 0.055 27 1 . . . . 501 ALA CB . 11427 1 921 . 1 1 71 71 ALA N N 15 116.880 0.050 56 1 . . . . 501 ALA N . 11427 1 922 . 1 1 72 72 GLU H H 1 8.032 0.004 72 1 . . . . 502 GLU H . 11427 1 923 . 1 1 72 72 GLU HA H 1 4.501 0.007 26 1 . . . . 502 GLU HA . 11427 1 924 . 1 1 72 72 GLU HB2 H 1 1.772 0.014 19 2 . . . . 502 GLU HB2 . 11427 1 925 . 1 1 72 72 GLU HB3 H 1 2.360 0.008 28 2 . . . . 502 GLU HB3 . 11427 1 926 . 1 1 72 72 GLU HG2 H 1 2.206 0.008 7 2 . . . . 502 GLU HG2 . 11427 1 927 . 1 1 72 72 GLU HG3 H 1 2.072 0.009 8 2 . . . . 502 GLU HG3 . 11427 1 928 . 1 1 72 72 GLU C C 13 175.469 0.003 4 1 . . . . 502 GLU C . 11427 1 929 . 1 1 72 72 GLU CA C 13 54.434 0.048 17 1 . . . . 502 GLU CA . 11427 1 930 . 1 1 72 72 GLU CB C 13 29.627 0.061 26 1 . . . . 502 GLU CB . 11427 1 931 . 1 1 72 72 GLU CG C 13 36.095 0.066 12 1 . . . . 502 GLU CG . 11427 1 932 . 1 1 72 72 GLU N N 15 114.446 0.043 60 1 . . . . 502 GLU N . 11427 1 933 . 1 1 73 73 LEU H H 1 7.061 0.005 83 1 . . . . 503 LEU H . 11427 1 934 . 1 1 73 73 LEU HA H 1 4.167 0.011 29 1 . . . . 503 LEU HA . 11427 1 935 . 1 1 73 73 LEU HB2 H 1 2.115 0.011 26 2 . . . . 503 LEU HB2 . 11427 1 936 . 1 1 73 73 LEU HB3 H 1 1.227 0.007 25 2 . . . . 503 LEU HB3 . 11427 1 937 . 1 1 73 73 LEU HD11 H 1 1.095 0.006 27 2 . . . . 503 LEU MD1 . 11427 1 938 . 1 1 73 73 LEU HD12 H 1 1.095 0.006 27 2 . . . . 503 LEU MD1 . 11427 1 939 . 1 1 73 73 LEU HD13 H 1 1.095 0.006 27 2 . . . . 503 LEU MD1 . 11427 1 940 . 1 1 73 73 LEU HD21 H 1 1.046 0.004 31 2 . . . . 503 LEU MD2 . 11427 1 941 . 1 1 73 73 LEU HD22 H 1 1.046 0.004 31 2 . . . . 503 LEU MD2 . 11427 1 942 . 1 1 73 73 LEU HD23 H 1 1.046 0.004 31 2 . . . . 503 LEU MD2 . 11427 1 943 . 1 1 73 73 LEU HG H 1 2.102 0.008 19 1 . . . . 503 LEU HG . 11427 1 944 . 1 1 73 73 LEU C C 13 174.291 . 1 1 . . . . 503 LEU C . 11427 1 945 . 1 1 73 73 LEU CA C 13 54.325 0.049 13 1 . . . . 503 LEU CA . 11427 1 946 . 1 1 73 73 LEU CB C 13 41.933 0.066 35 1 . . . . 503 LEU CB . 11427 1 947 . 1 1 73 73 LEU CD1 C 13 26.918 0.097 25 2 . . . . 503 LEU CD1 . 11427 1 948 . 1 1 73 73 LEU CD2 C 13 25.014 0.072 28 2 . . . . 503 LEU CD2 . 11427 1 949 . 1 1 73 73 LEU CG C 13 26.822 0.095 14 1 . . . . 503 LEU CG . 11427 1 950 . 1 1 73 73 LEU N N 15 120.730 0.031 65 1 . . . . 503 LEU N . 11427 1 951 . 1 1 74 74 PRO HA H 1 4.170 0.007 24 1 . . . . 504 PRO HA . 11427 1 952 . 1 1 74 74 PRO HB2 H 1 1.784 0.008 22 2 . . . . 504 PRO HB2 . 11427 1 953 . 1 1 74 74 PRO HB3 H 1 2.445 0.011 29 2 . . . . 504 PRO HB3 . 11427 1 954 . 1 1 74 74 PRO HD2 H 1 3.609 0.008 25 2 . . . . 504 PRO HD2 . 11427 1 955 . 1 1 74 74 PRO HD3 H 1 3.455 0.013 33 2 . . . . 504 PRO HD3 . 11427 1 956 . 1 1 74 74 PRO HG2 H 1 2.227 0.012 34 2 . . . . 504 PRO QG . 11427 1 957 . 1 1 74 74 PRO HG3 H 1 2.227 0.012 34 2 . . . . 504 PRO QG . 11427 1 958 . 1 1 74 74 PRO C C 13 177.371 0.009 4 1 . . . . 504 PRO C . 11427 1 959 . 1 1 74 74 PRO CA C 13 65.239 0.132 16 1 . . . . 504 PRO CA . 11427 1 960 . 1 1 74 74 PRO CB C 13 31.469 0.081 28 1 . . . . 504 PRO CB . 11427 1 961 . 1 1 74 74 PRO CD C 13 50.032 0.074 33 1 . . . . 504 PRO CD . 11427 1 962 . 1 1 74 74 PRO CG C 13 27.928 0.062 23 1 . . . . 504 PRO CG . 11427 1 963 . 1 1 75 75 ALA H H 1 6.062 0.005 79 1 . . . . 505 ALA H . 11427 1 964 . 1 1 75 75 ALA HA H 1 4.871 0.005 21 1 . . . . 505 ALA HA . 11427 1 965 . 1 1 75 75 ALA HB1 H 1 1.205 0.008 27 1 . . . . 505 ALA MB . 11427 1 966 . 1 1 75 75 ALA HB2 H 1 1.205 0.008 27 1 . . . . 505 ALA MB . 11427 1 967 . 1 1 75 75 ALA HB3 H 1 1.205 0.008 27 1 . . . . 505 ALA MB . 11427 1 968 . 1 1 75 75 ALA C C 13 172.380 . 1 1 . . . . 505 ALA C . 11427 1 969 . 1 1 75 75 ALA CA C 13 48.503 0.054 12 1 . . . . 505 ALA CA . 11427 1 970 . 1 1 75 75 ALA CB C 13 19.216 0.077 22 1 . . . . 505 ALA CB . 11427 1 971 . 1 1 75 75 ALA N N 15 117.717 0.033 61 1 . . . . 505 ALA N . 11427 1 972 . 1 1 76 76 PRO HA H 1 3.834 0.007 27 1 . . . . 506 PRO HA . 11427 1 973 . 1 1 76 76 PRO HB2 H 1 2.243 0.008 20 2 . . . . 506 PRO HB2 . 11427 1 974 . 1 1 76 76 PRO HB3 H 1 1.721 0.009 21 2 . . . . 506 PRO HB3 . 11427 1 975 . 1 1 76 76 PRO HD2 H 1 3.639 0.011 9 2 . . . . 506 PRO HD2 . 11427 1 976 . 1 1 76 76 PRO HD3 H 1 3.596 0.006 9 2 . . . . 506 PRO HD3 . 11427 1 977 . 1 1 76 76 PRO HG2 H 1 1.974 0.013 12 2 . . . . 506 PRO QG . 11427 1 978 . 1 1 76 76 PRO HG3 H 1 1.974 0.013 12 2 . . . . 506 PRO QG . 11427 1 979 . 1 1 76 76 PRO C C 13 175.451 0.014 4 1 . . . . 506 PRO C . 11427 1 980 . 1 1 76 76 PRO CA C 13 63.668 0.041 20 1 . . . . 506 PRO CA . 11427 1 981 . 1 1 76 76 PRO CB C 13 32.645 0.126 26 1 . . . . 506 PRO CB . 11427 1 982 . 1 1 76 76 PRO CD C 13 50.182 0.069 14 1 . . . . 506 PRO CD . 11427 1 983 . 1 1 76 76 PRO CG C 13 26.923 0.092 5 1 . . . . 506 PRO CG . 11427 1 984 . 1 1 77 77 VAL H H 1 7.748 0.007 83 1 . . . . 507 VAL H . 11427 1 985 . 1 1 77 77 VAL HA H 1 4.116 0.009 30 1 . . . . 507 VAL HA . 11427 1 986 . 1 1 77 77 VAL HB H 1 1.984 0.012 19 1 . . . . 507 VAL HB . 11427 1 987 . 1 1 77 77 VAL HG11 H 1 0.964 0.006 17 2 . . . . 507 VAL MG1 . 11427 1 988 . 1 1 77 77 VAL HG12 H 1 0.964 0.006 17 2 . . . . 507 VAL MG1 . 11427 1 989 . 1 1 77 77 VAL HG13 H 1 0.964 0.006 17 2 . . . . 507 VAL MG1 . 11427 1 990 . 1 1 77 77 VAL HG21 H 1 0.827 0.013 27 2 . . . . 507 VAL MG2 . 11427 1 991 . 1 1 77 77 VAL HG22 H 1 0.827 0.013 27 2 . . . . 507 VAL MG2 . 11427 1 992 . 1 1 77 77 VAL HG23 H 1 0.827 0.013 27 2 . . . . 507 VAL MG2 . 11427 1 993 . 1 1 77 77 VAL C C 13 173.071 0.009 4 1 . . . . 507 VAL C . 11427 1 994 . 1 1 77 77 VAL CA C 13 61.878 0.032 23 1 . . . . 507 VAL CA . 11427 1 995 . 1 1 77 77 VAL CB C 13 30.465 0.121 8 1 . . . . 507 VAL CB . 11427 1 996 . 1 1 77 77 VAL CG1 C 13 22.443 0.125 10 2 . . . . 507 VAL CG1 . 11427 1 997 . 1 1 77 77 VAL CG2 C 13 22.700 0.101 7 2 . . . . 507 VAL CG2 . 11427 1 998 . 1 1 77 77 VAL N N 15 124.057 0.038 71 1 . . . . 507 VAL N . 11427 1 999 . 1 1 78 78 VAL H H 1 7.639 0.008 60 1 . . . . 508 VAL H . 11427 1 1000 . 1 1 78 78 VAL HA H 1 4.667 0.009 32 1 . . . . 508 VAL HA . 11427 1 1001 . 1 1 78 78 VAL HB H 1 2.367 0.006 21 1 . . . . 508 VAL HB . 11427 1 1002 . 1 1 78 78 VAL HG11 H 1 0.812 0.007 20 2 . . . . 508 VAL MG1 . 11427 1 1003 . 1 1 78 78 VAL HG12 H 1 0.812 0.007 20 2 . . . . 508 VAL MG1 . 11427 1 1004 . 1 1 78 78 VAL HG13 H 1 0.812 0.007 20 2 . . . . 508 VAL MG1 . 11427 1 1005 . 1 1 78 78 VAL HG21 H 1 0.712 0.006 27 2 . . . . 508 VAL MG2 . 11427 1 1006 . 1 1 78 78 VAL HG22 H 1 0.712 0.006 27 2 . . . . 508 VAL MG2 . 11427 1 1007 . 1 1 78 78 VAL HG23 H 1 0.712 0.006 27 2 . . . . 508 VAL MG2 . 11427 1 1008 . 1 1 78 78 VAL C C 13 175.384 0.016 4 1 . . . . 508 VAL C . 11427 1 1009 . 1 1 78 78 VAL CA C 13 57.850 0.081 23 1 . . . . 508 VAL CA . 11427 1 1010 . 1 1 78 78 VAL CB C 13 34.931 0.076 13 1 . . . . 508 VAL CB . 11427 1 1011 . 1 1 78 78 VAL CG1 C 13 22.001 0.092 14 2 . . . . 508 VAL CG1 . 11427 1 1012 . 1 1 78 78 VAL CG2 C 13 17.222 0.066 24 2 . . . . 508 VAL CG2 . 11427 1 1013 . 1 1 78 78 VAL N N 15 114.665 0.035 48 1 . . . . 508 VAL N . 11427 1 1014 . 1 1 79 79 ASN H H 1 8.494 0.008 47 1 . . . . 509 ASN H . 11427 1 1015 . 1 1 79 79 ASN HA H 1 4.241 0.012 31 1 . . . . 509 ASN HA . 11427 1 1016 . 1 1 79 79 ASN HB2 H 1 2.783 0.007 6 2 . . . . 509 ASN HB2 . 11427 1 1017 . 1 1 79 79 ASN HB3 H 1 2.746 0.007 4 2 . . . . 509 ASN HB3 . 11427 1 1018 . 1 1 79 79 ASN HD21 H 1 7.864 0.005 38 2 . . . . 509 ASN HD21 . 11427 1 1019 . 1 1 79 79 ASN HD22 H 1 7.098 0.004 28 2 . . . . 509 ASN HD22 . 11427 1 1020 . 1 1 79 79 ASN C C 13 175.249 0.009 4 1 . . . . 509 ASN C . 11427 1 1021 . 1 1 79 79 ASN CA C 13 56.517 0.087 22 1 . . . . 509 ASN CA . 11427 1 1022 . 1 1 79 79 ASN CB C 13 39.261 0.150 14 1 . . . . 509 ASN CB . 11427 1 1023 . 1 1 79 79 ASN CG C 13 175.643 0.017 4 1 . . . . 509 ASN CG . 11427 1 1024 . 1 1 79 79 ASN N N 15 116.538 0.071 32 1 . . . . 509 ASN N . 11427 1 1025 . 1 1 79 79 ASN ND2 N 15 116.294 0.069 46 1 . . . . 509 ASN ND2 . 11427 1 1026 . 1 1 80 80 ASP H H 1 8.963 0.007 66 1 . . . . 510 ASP H . 11427 1 1027 . 1 1 80 80 ASP HA H 1 4.522 0.010 26 1 . . . . 510 ASP HA . 11427 1 1028 . 1 1 80 80 ASP HB2 H 1 2.984 0.006 23 2 . . . . 510 ASP QB . 11427 1 1029 . 1 1 80 80 ASP HB3 H 1 2.984 0.006 23 2 . . . . 510 ASP QB . 11427 1 1030 . 1 1 80 80 ASP C C 13 175.709 0.005 4 1 . . . . 510 ASP C . 11427 1 1031 . 1 1 80 80 ASP CA C 13 56.415 0.072 18 1 . . . . 510 ASP CA . 11427 1 1032 . 1 1 80 80 ASP CB C 13 38.671 0.107 12 1 . . . . 510 ASP CB . 11427 1 1033 . 1 1 80 80 ASP N N 15 119.772 0.023 56 1 . . . . 510 ASP N . 11427 1 1034 . 1 1 81 81 THR H H 1 8.050 0.005 78 1 . . . . 511 THR H . 11427 1 1035 . 1 1 81 81 THR HA H 1 4.176 0.006 20 1 . . . . 511 THR HA . 11427 1 1036 . 1 1 81 81 THR HB H 1 4.044 0.010 29 1 . . . . 511 THR HB . 11427 1 1037 . 1 1 81 81 THR HG1 H 1 5.169 0.006 2 1 . . . . 511 THR HG1 . 11427 1 1038 . 1 1 81 81 THR HG21 H 1 1.345 0.006 34 1 . . . . 511 THR MG . 11427 1 1039 . 1 1 81 81 THR HG22 H 1 1.345 0.006 34 1 . . . . 511 THR MG . 11427 1 1040 . 1 1 81 81 THR HG23 H 1 1.345 0.006 34 1 . . . . 511 THR MG . 11427 1 1041 . 1 1 81 81 THR C C 13 171.777 0.008 4 1 . . . . 511 THR C . 11427 1 1042 . 1 1 81 81 THR CA C 13 64.559 0.113 21 1 . . . . 511 THR CA . 11427 1 1043 . 1 1 81 81 THR CB C 13 69.503 0.096 21 1 . . . . 511 THR CB . 11427 1 1044 . 1 1 81 81 THR CG2 C 13 23.191 0.056 25 1 . . . . 511 THR CG2 . 11427 1 1045 . 1 1 81 81 THR N N 15 117.473 0.029 62 1 . . . . 511 THR N . 11427 1 1046 . 1 1 82 82 LYS H H 1 8.327 0.006 66 1 . . . . 512 LYS H . 11427 1 1047 . 1 1 82 82 LYS HA H 1 5.149 0.012 37 1 . . . . 512 LYS HA . 11427 1 1048 . 1 1 82 82 LYS HB2 H 1 1.708 0.011 16 2 . . . . 512 LYS QB . 11427 1 1049 . 1 1 82 82 LYS HB3 H 1 1.708 0.011 16 2 . . . . 512 LYS QB . 11427 1 1050 . 1 1 82 82 LYS HD2 H 1 1.647 0.006 17 2 . . . . 512 LYS QD . 11427 1 1051 . 1 1 82 82 LYS HD3 H 1 1.647 0.006 17 2 . . . . 512 LYS QD . 11427 1 1052 . 1 1 82 82 LYS HE2 H 1 2.944 0.005 8 2 . . . . 512 LYS QE . 11427 1 1053 . 1 1 82 82 LYS HE3 H 1 2.944 0.005 8 2 . . . . 512 LYS QE . 11427 1 1054 . 1 1 82 82 LYS HG2 H 1 1.367 0.005 15 2 . . . . 512 LYS HG2 . 11427 1 1055 . 1 1 82 82 LYS HG3 H 1 1.220 0.012 22 2 . . . . 512 LYS HG3 . 11427 1 1056 . 1 1 82 82 LYS C C 13 175.744 0.005 4 1 . . . . 512 LYS C . 11427 1 1057 . 1 1 82 82 LYS CA C 13 54.735 0.071 22 1 . . . . 512 LYS CA . 11427 1 1058 . 1 1 82 82 LYS CB C 13 33.771 0.032 11 1 . . . . 512 LYS CB . 11427 1 1059 . 1 1 82 82 LYS CD C 13 28.930 0.085 13 1 . . . . 512 LYS CD . 11427 1 1060 . 1 1 82 82 LYS CE C 13 41.767 0.129 6 1 . . . . 512 LYS CE . 11427 1 1061 . 1 1 82 82 LYS CG C 13 24.409 0.117 20 1 . . . . 512 LYS CG . 11427 1 1062 . 1 1 82 82 LYS N N 15 124.549 0.067 55 1 . . . . 512 LYS N . 11427 1 1063 . 1 1 83 83 LEU H H 1 9.412 0.008 88 1 . . . . 513 LEU H . 11427 1 1064 . 1 1 83 83 LEU HA H 1 4.944 0.010 34 1 . . . . 513 LEU HA . 11427 1 1065 . 1 1 83 83 LEU HB2 H 1 1.566 0.010 23 2 . . . . 513 LEU HB2 . 11427 1 1066 . 1 1 83 83 LEU HB3 H 1 1.386 0.008 31 2 . . . . 513 LEU HB3 . 11427 1 1067 . 1 1 83 83 LEU HD11 H 1 0.625 0.003 9 2 . . . . 513 LEU MD1 . 11427 1 1068 . 1 1 83 83 LEU HD12 H 1 0.625 0.003 9 2 . . . . 513 LEU MD1 . 11427 1 1069 . 1 1 83 83 LEU HD13 H 1 0.625 0.003 9 2 . . . . 513 LEU MD1 . 11427 1 1070 . 1 1 83 83 LEU HD21 H 1 0.607 0.007 14 2 . . . . 513 LEU MD2 . 11427 1 1071 . 1 1 83 83 LEU HD22 H 1 0.607 0.007 14 2 . . . . 513 LEU MD2 . 11427 1 1072 . 1 1 83 83 LEU HD23 H 1 0.607 0.007 14 2 . . . . 513 LEU MD2 . 11427 1 1073 . 1 1 83 83 LEU HG H 1 1.591 0.014 13 1 . . . . 513 LEU HG . 11427 1 1074 . 1 1 83 83 LEU C C 13 176.157 0.004 4 1 . . . . 513 LEU C . 11427 1 1075 . 1 1 83 83 LEU CA C 13 53.318 0.107 17 1 . . . . 513 LEU CA . 11427 1 1076 . 1 1 83 83 LEU CB C 13 44.276 0.072 31 1 . . . . 513 LEU CB . 11427 1 1077 . 1 1 83 83 LEU CD1 C 13 24.790 0.090 12 2 . . . . 513 LEU CD1 . 11427 1 1078 . 1 1 83 83 LEU CD2 C 13 24.099 0.135 15 2 . . . . 513 LEU CD2 . 11427 1 1079 . 1 1 83 83 LEU CG C 13 26.583 0.105 7 1 . . . . 513 LEU CG . 11427 1 1080 . 1 1 83 83 LEU N N 15 126.952 0.039 67 1 . . . . 513 LEU N . 11427 1 1081 . 1 1 84 84 THR H H 1 9.226 0.007 76 1 . . . . 514 THR H . 11427 1 1082 . 1 1 84 84 THR HA H 1 4.824 0.016 28 1 . . . . 514 THR HA . 11427 1 1083 . 1 1 84 84 THR HB H 1 4.035 0.005 28 1 . . . . 514 THR HB . 11427 1 1084 . 1 1 84 84 THR HG21 H 1 1.167 0.010 28 1 . . . . 514 THR MG . 11427 1 1085 . 1 1 84 84 THR HG22 H 1 1.167 0.010 28 1 . . . . 514 THR MG . 11427 1 1086 . 1 1 84 84 THR HG23 H 1 1.167 0.010 28 1 . . . . 514 THR MG . 11427 1 1087 . 1 1 84 84 THR C C 13 172.691 0.005 4 1 . . . . 514 THR C . 11427 1 1088 . 1 1 84 84 THR CA C 13 62.208 0.125 19 1 . . . . 514 THR CA . 11427 1 1089 . 1 1 84 84 THR CB C 13 69.951 0.080 14 1 . . . . 514 THR CB . 11427 1 1090 . 1 1 84 84 THR CG2 C 13 21.335 0.101 17 1 . . . . 514 THR CG2 . 11427 1 1091 . 1 1 84 84 THR N N 15 120.788 0.033 64 1 . . . . 514 THR N . 11427 1 1092 . 1 1 85 85 VAL H H 1 8.812 0.005 75 1 . . . . 515 VAL H . 11427 1 1093 . 1 1 85 85 VAL HA H 1 5.320 0.009 39 1 . . . . 515 VAL HA . 11427 1 1094 . 1 1 85 85 VAL HB H 1 1.906 0.007 21 1 . . . . 515 VAL HB . 11427 1 1095 . 1 1 85 85 VAL HG11 H 1 0.870 0.009 26 2 . . . . 515 VAL MG1 . 11427 1 1096 . 1 1 85 85 VAL HG12 H 1 0.870 0.009 26 2 . . . . 515 VAL MG1 . 11427 1 1097 . 1 1 85 85 VAL HG13 H 1 0.870 0.009 26 2 . . . . 515 VAL MG1 . 11427 1 1098 . 1 1 85 85 VAL HG21 H 1 0.731 0.012 25 2 . . . . 515 VAL MG2 . 11427 1 1099 . 1 1 85 85 VAL HG22 H 1 0.731 0.012 25 2 . . . . 515 VAL MG2 . 11427 1 1100 . 1 1 85 85 VAL HG23 H 1 0.731 0.012 25 2 . . . . 515 VAL MG2 . 11427 1 1101 . 1 1 85 85 VAL C C 13 173.908 0.004 4 1 . . . . 515 VAL C . 11427 1 1102 . 1 1 85 85 VAL CA C 13 59.453 0.057 28 1 . . . . 515 VAL CA . 11427 1 1103 . 1 1 85 85 VAL CB C 13 33.773 0.039 14 1 . . . . 515 VAL CB . 11427 1 1104 . 1 1 85 85 VAL CG1 C 13 22.408 0.098 17 2 . . . . 515 VAL CG1 . 11427 1 1105 . 1 1 85 85 VAL CG2 C 13 20.910 0.106 12 2 . . . . 515 VAL CG2 . 11427 1 1106 . 1 1 85 85 VAL N N 15 125.124 0.027 59 1 . . . . 515 VAL N . 11427 1 1107 . 1 1 86 86 GLU H H 1 8.611 0.007 66 1 . . . . 516 GLU H . 11427 1 1108 . 1 1 86 86 GLU HA H 1 4.997 0.011 27 1 . . . . 516 GLU HA . 11427 1 1109 . 1 1 86 86 GLU HB2 H 1 1.847 0.015 6 2 . . . . 516 GLU HB2 . 11427 1 1110 . 1 1 86 86 GLU HB3 H 1 1.749 0.008 7 2 . . . . 516 GLU HB3 . 11427 1 1111 . 1 1 86 86 GLU HG2 H 1 2.099 0.016 9 2 . . . . 516 GLU HG2 . 11427 1 1112 . 1 1 86 86 GLU HG3 H 1 2.019 0.013 8 2 . . . . 516 GLU HG3 . 11427 1 1113 . 1 1 86 86 GLU C C 13 173.892 0.004 4 1 . . . . 516 GLU C . 11427 1 1114 . 1 1 86 86 GLU CA C 13 54.090 0.108 17 1 . . . . 516 GLU CA . 11427 1 1115 . 1 1 86 86 GLU CB C 13 33.604 0.183 9 1 . . . . 516 GLU CB . 11427 1 1116 . 1 1 86 86 GLU CG C 13 35.571 0.075 13 1 . . . . 516 GLU CG . 11427 1 1117 . 1 1 86 86 GLU N N 15 124.769 0.038 49 1 . . . . 516 GLU N . 11427 1 1118 . 1 1 87 87 ASP H H 1 8.422 0.006 59 1 . . . . 517 ASP H . 11427 1 1119 . 1 1 87 87 ASP HA H 1 4.990 0.020 23 1 . . . . 517 ASP HA . 11427 1 1120 . 1 1 87 87 ASP HB2 H 1 2.710 0.009 25 2 . . . . 517 ASP HB2 . 11427 1 1121 . 1 1 87 87 ASP HB3 H 1 2.323 0.009 34 2 . . . . 517 ASP HB3 . 11427 1 1122 . 1 1 87 87 ASP C C 13 176.922 0.010 4 1 . . . . 517 ASP C . 11427 1 1123 . 1 1 87 87 ASP CA C 13 52.835 0.078 13 1 . . . . 517 ASP CA . 11427 1 1124 . 1 1 87 87 ASP CB C 13 43.688 0.044 35 1 . . . . 517 ASP CB . 11427 1 1125 . 1 1 87 87 ASP N N 15 121.066 0.040 48 1 . . . . 517 ASP N . 11427 1 1126 . 1 1 88 88 PHE H H 1 9.027 0.006 72 1 . . . . 518 PHE H . 11427 1 1127 . 1 1 88 88 PHE HA H 1 4.451 0.008 29 1 . . . . 518 PHE HA . 11427 1 1128 . 1 1 88 88 PHE HB2 H 1 3.202 0.004 18 2 . . . . 518 PHE HB2 . 11427 1 1129 . 1 1 88 88 PHE HB3 H 1 3.152 0.005 20 2 . . . . 518 PHE HB3 . 11427 1 1130 . 1 1 88 88 PHE HD1 H 1 7.298 0.009 19 3 . . . . 518 PHE QD . 11427 1 1131 . 1 1 88 88 PHE HD2 H 1 7.298 0.009 19 3 . . . . 518 PHE QD . 11427 1 1132 . 1 1 88 88 PHE C C 13 177.516 0.019 4 1 . . . . 518 PHE C . 11427 1 1133 . 1 1 88 88 PHE CA C 13 59.703 0.095 22 1 . . . . 518 PHE CA . 11427 1 1134 . 1 1 88 88 PHE CB C 13 38.908 0.072 37 1 . . . . 518 PHE CB . 11427 1 1135 . 1 1 88 88 PHE CD1 C 13 131.158 0.090 10 3 . . . . 518 PHE CD1 . 11427 1 1136 . 1 1 88 88 PHE CD2 C 13 131.158 0.090 10 3 . . . . 518 PHE CD2 . 11427 1 1137 . 1 1 88 88 PHE N N 15 125.156 0.047 56 1 . . . . 518 PHE N . 11427 1 1138 . 1 1 89 89 GLN H H 1 8.753 0.006 68 1 . . . . 519 GLN H . 11427 1 1139 . 1 1 89 89 GLN HA H 1 4.154 0.012 19 1 . . . . 519 GLN HA . 11427 1 1140 . 1 1 89 89 GLN HB2 H 1 2.246 0.006 5 2 . . . . 519 GLN HB2 . 11427 1 1141 . 1 1 89 89 GLN HB3 H 1 2.185 0.010 6 2 . . . . 519 GLN HB3 . 11427 1 1142 . 1 1 89 89 GLN HE21 H 1 7.584 0.007 51 2 . . . . 519 GLN HE21 . 11427 1 1143 . 1 1 89 89 GLN HE22 H 1 6.858 0.007 42 2 . . . . 519 GLN HE22 . 11427 1 1144 . 1 1 89 89 GLN HG2 H 1 2.343 0.005 6 2 . . . . 519 GLN HG2 . 11427 1 1145 . 1 1 89 89 GLN HG3 H 1 2.306 0.008 5 2 . . . . 519 GLN HG3 . 11427 1 1146 . 1 1 89 89 GLN C C 13 177.254 0.004 3 1 . . . . 519 GLN C . 11427 1 1147 . 1 1 89 89 GLN CA C 13 57.926 0.081 16 1 . . . . 519 GLN CA . 11427 1 1148 . 1 1 89 89 GLN CB C 13 28.504 0.095 15 1 . . . . 519 GLN CB . 11427 1 1149 . 1 1 89 89 GLN CD C 13 179.913 0.019 4 1 . . . . 519 GLN CD . 11427 1 1150 . 1 1 89 89 GLN CG C 13 34.259 0.117 20 1 . . . . 519 GLN CG . 11427 1 1151 . 1 1 89 89 GLN N N 15 119.954 0.037 52 1 . . . . 519 GLN N . 11427 1 1152 . 1 1 89 89 GLN NE2 N 15 112.134 0.069 64 1 . . . . 519 GLN NE2 . 11427 1 1153 . 1 1 90 90 GLN H H 1 8.300 0.007 62 1 . . . . 520 GLN H . 11427 1 1154 . 1 1 90 90 GLN HA H 1 4.280 0.010 18 1 . . . . 520 GLN HA . 11427 1 1155 . 1 1 90 90 GLN HB2 H 1 1.689 0.009 18 2 . . . . 520 GLN HB2 . 11427 1 1156 . 1 1 90 90 GLN HB3 H 1 2.205 0.013 19 2 . . . . 520 GLN HB3 . 11427 1 1157 . 1 1 90 90 GLN HE21 H 1 7.861 0.007 52 2 . . . . 520 GLN HE21 . 11427 1 1158 . 1 1 90 90 GLN HE22 H 1 6.965 0.003 52 2 . . . . 520 GLN HE22 . 11427 1 1159 . 1 1 90 90 GLN HG2 H 1 2.479 0.007 17 2 . . . . 520 GLN HG2 . 11427 1 1160 . 1 1 90 90 GLN HG3 H 1 2.303 0.008 12 2 . . . . 520 GLN HG3 . 11427 1 1161 . 1 1 90 90 GLN C C 13 174.738 0.014 4 1 . . . . 520 GLN C . 11427 1 1162 . 1 1 90 90 GLN CA C 13 55.459 0.132 16 1 . . . . 520 GLN CA . 11427 1 1163 . 1 1 90 90 GLN CB C 13 30.267 0.086 20 1 . . . . 520 GLN CB . 11427 1 1164 . 1 1 90 90 GLN CD C 13 179.664 0.020 4 1 . . . . 520 GLN CD . 11427 1 1165 . 1 1 90 90 GLN CG C 13 34.464 0.070 22 1 . . . . 520 GLN CG . 11427 1 1166 . 1 1 90 90 GLN N N 15 116.306 0.053 45 1 . . . . 520 GLN N . 11427 1 1167 . 1 1 90 90 GLN NE2 N 15 112.371 0.047 75 1 . . . . 520 GLN NE2 . 11427 1 1168 . 1 1 91 91 GLU H H 1 7.993 0.009 50 1 . . . . 521 GLU H . 11427 1 1169 . 1 1 91 91 GLU HA H 1 3.945 0.010 27 1 . . . . 521 GLU HA . 11427 1 1170 . 1 1 91 91 GLU HB2 H 1 2.158 0.006 2 2 . . . . 521 GLU HB2 . 11427 1 1171 . 1 1 91 91 GLU HB3 H 1 2.103 0.000 2 2 . . . . 521 GLU HB3 . 11427 1 1172 . 1 1 91 91 GLU HG2 H 1 2.154 0.002 2 2 . . . . 521 GLU HG2 . 11427 1 1173 . 1 1 91 91 GLU HG3 H 1 2.123 0.003 2 2 . . . . 521 GLU HG3 . 11427 1 1174 . 1 1 91 91 GLU C C 13 174.671 0.004 4 1 . . . . 521 GLU C . 11427 1 1175 . 1 1 91 91 GLU CA C 13 56.740 0.055 15 1 . . . . 521 GLU CA . 11427 1 1176 . 1 1 91 91 GLU CB C 13 26.979 0.115 7 1 . . . . 521 GLU CB . 11427 1 1177 . 1 1 91 91 GLU CG C 13 36.574 0.057 9 1 . . . . 521 GLU CG . 11427 1 1178 . 1 1 91 91 GLU N N 15 117.104 0.062 37 1 . . . . 521 GLU N . 11427 1 1179 . 1 1 92 92 LEU H H 1 7.628 0.009 66 1 . . . . 522 LEU H . 11427 1 1180 . 1 1 92 92 LEU HA H 1 4.865 0.004 18 1 . . . . 522 LEU HA . 11427 1 1181 . 1 1 92 92 LEU HB2 H 1 1.466 0.012 28 2 . . . . 522 LEU QB . 11427 1 1182 . 1 1 92 92 LEU HB3 H 1 1.466 0.012 28 2 . . . . 522 LEU QB . 11427 1 1183 . 1 1 92 92 LEU HD11 H 1 0.878 0.003 3 2 . . . . 522 LEU MD1 . 11427 1 1184 . 1 1 92 92 LEU HD12 H 1 0.878 0.003 3 2 . . . . 522 LEU MD1 . 11427 1 1185 . 1 1 92 92 LEU HD13 H 1 0.878 0.003 3 2 . . . . 522 LEU MD1 . 11427 1 1186 . 1 1 92 92 LEU HD21 H 1 0.936 0.003 5 2 . . . . 522 LEU MD2 . 11427 1 1187 . 1 1 92 92 LEU HD22 H 1 0.936 0.003 5 2 . . . . 522 LEU MD2 . 11427 1 1188 . 1 1 92 92 LEU HD23 H 1 0.936 0.003 5 2 . . . . 522 LEU MD2 . 11427 1 1189 . 1 1 92 92 LEU HG H 1 1.483 0.010 11 1 . . . . 522 LEU HG . 11427 1 1190 . 1 1 92 92 LEU C C 13 175.210 0.016 3 1 . . . . 522 LEU C . 11427 1 1191 . 1 1 92 92 LEU CA C 13 53.240 0.054 13 1 . . . . 522 LEU CA . 11427 1 1192 . 1 1 92 92 LEU CB C 13 46.381 0.141 15 1 . . . . 522 LEU CB . 11427 1 1193 . 1 1 92 92 LEU CD1 C 13 24.920 0.115 7 2 . . . . 522 LEU CD1 . 11427 1 1194 . 1 1 92 92 LEU CD2 C 13 23.848 0.051 10 2 . . . . 522 LEU CD2 . 11427 1 1195 . 1 1 92 92 LEU CG C 13 26.178 0.072 7 1 . . . . 522 LEU CG . 11427 1 1196 . 1 1 92 92 LEU N N 15 118.729 0.059 52 1 . . . . 522 LEU N . 11427 1 1197 . 1 1 93 93 SER H H 1 8.281 0.005 45 1 . . . . 523 SER H . 11427 1 1198 . 1 1 93 93 SER HA H 1 5.191 0.009 32 1 . . . . 523 SER HA . 11427 1 1199 . 1 1 93 93 SER HB2 H 1 3.746 0.007 29 2 . . . . 523 SER QB . 11427 1 1200 . 1 1 93 93 SER HB3 H 1 3.746 0.007 29 2 . . . . 523 SER QB . 11427 1 1201 . 1 1 93 93 SER C C 13 173.082 0.007 4 1 . . . . 523 SER C . 11427 1 1202 . 1 1 93 93 SER CA C 13 56.669 0.057 23 1 . . . . 523 SER CA . 11427 1 1203 . 1 1 93 93 SER CB C 13 64.898 0.050 21 1 . . . . 523 SER CB . 11427 1 1204 . 1 1 93 93 SER N N 15 116.755 0.071 37 1 . . . . 523 SER N . 11427 1 1205 . 1 1 94 94 CYS H H 1 9.184 0.005 68 1 . . . . 524 CYS H . 11427 1 1206 . 1 1 94 94 CYS HA H 1 4.960 0.007 35 1 . . . . 524 CYS HA . 11427 1 1207 . 1 1 94 94 CYS HB2 H 1 2.907 0.006 28 2 . . . . 524 CYS HB2 . 11427 1 1208 . 1 1 94 94 CYS HB3 H 1 2.758 0.009 29 2 . . . . 524 CYS HB3 . 11427 1 1209 . 1 1 94 94 CYS C C 13 171.983 0.001 4 1 . . . . 524 CYS C . 11427 1 1210 . 1 1 94 94 CYS CA C 13 56.826 0.099 24 1 . . . . 524 CYS CA . 11427 1 1211 . 1 1 94 94 CYS CB C 13 30.696 0.074 33 1 . . . . 524 CYS CB . 11427 1 1212 . 1 1 94 94 CYS N N 15 118.929 0.022 55 1 . . . . 524 CYS N . 11427 1 1213 . 1 1 95 95 SER H H 1 8.572 0.007 71 1 . . . . 525 SER H . 11427 1 1214 . 1 1 95 95 SER HA H 1 5.397 0.007 41 1 . . . . 525 SER HA . 11427 1 1215 . 1 1 95 95 SER HB2 H 1 3.666 0.007 24 2 . . . . 525 SER HB2 . 11427 1 1216 . 1 1 95 95 SER HB3 H 1 3.618 0.020 19 2 . . . . 525 SER HB3 . 11427 1 1217 . 1 1 95 95 SER C C 13 172.989 0.013 4 1 . . . . 525 SER C . 11427 1 1218 . 1 1 95 95 SER CA C 13 56.749 0.098 34 1 . . . . 525 SER CA . 11427 1 1219 . 1 1 95 95 SER CB C 13 64.771 0.066 42 1 . . . . 525 SER CB . 11427 1 1220 . 1 1 95 95 SER N N 15 117.522 0.049 57 1 . . . . 525 SER N . 11427 1 1221 . 1 1 96 96 ILE H H 1 9.116 0.007 78 1 . . . . 526 ILE H . 11427 1 1222 . 1 1 96 96 ILE HA H 1 4.319 0.011 44 1 . . . . 526 ILE HA . 11427 1 1223 . 1 1 96 96 ILE HB H 1 1.559 0.011 16 1 . . . . 526 ILE HB . 11427 1 1224 . 1 1 96 96 ILE HD11 H 1 0.487 0.008 33 1 . . . . 526 ILE MD . 11427 1 1225 . 1 1 96 96 ILE HD12 H 1 0.487 0.008 33 1 . . . . 526 ILE MD . 11427 1 1226 . 1 1 96 96 ILE HD13 H 1 0.487 0.008 33 1 . . . . 526 ILE MD . 11427 1 1227 . 1 1 96 96 ILE HG12 H 1 1.432 0.010 18 2 . . . . 526 ILE HG12 . 11427 1 1228 . 1 1 96 96 ILE HG13 H 1 0.745 0.007 15 2 . . . . 526 ILE HG13 . 11427 1 1229 . 1 1 96 96 ILE HG21 H 1 0.589 0.009 39 1 . . . . 526 ILE MG . 11427 1 1230 . 1 1 96 96 ILE HG22 H 1 0.589 0.009 39 1 . . . . 526 ILE MG . 11427 1 1231 . 1 1 96 96 ILE HG23 H 1 0.589 0.009 39 1 . . . . 526 ILE MG . 11427 1 1232 . 1 1 96 96 ILE C C 13 174.327 0.004 4 1 . . . . 526 ILE C . 11427 1 1233 . 1 1 96 96 ILE CA C 13 59.863 0.173 28 1 . . . . 526 ILE CA . 11427 1 1234 . 1 1 96 96 ILE CB C 13 41.472 0.086 12 1 . . . . 526 ILE CB . 11427 1 1235 . 1 1 96 96 ILE CD1 C 13 12.872 0.080 30 1 . . . . 526 ILE CD1 . 11427 1 1236 . 1 1 96 96 ILE CG1 C 13 27.018 0.089 18 1 . . . . 526 ILE CG1 . 11427 1 1237 . 1 1 96 96 ILE CG2 C 13 18.455 0.055 30 1 . . . . 526 ILE CG2 . 11427 1 1238 . 1 1 96 96 ILE N N 15 123.214 0.044 66 1 . . . . 526 ILE N . 11427 1 1239 . 1 1 97 97 ASN H H 1 9.056 0.007 78 1 . . . . 527 ASN H . 11427 1 1240 . 1 1 97 97 ASN HA H 1 5.130 0.008 37 1 . . . . 527 ASN HA . 11427 1 1241 . 1 1 97 97 ASN HB2 H 1 2.695 0.007 39 2 . . . . 527 ASN QB . 11427 1 1242 . 1 1 97 97 ASN HB3 H 1 2.695 0.007 39 2 . . . . 527 ASN QB . 11427 1 1243 . 1 1 97 97 ASN HD21 H 1 7.056 0.004 54 2 . . . . 527 ASN HD21 . 11427 1 1244 . 1 1 97 97 ASN HD22 H 1 6.916 0.006 54 2 . . . . 527 ASN HD22 . 11427 1 1245 . 1 1 97 97 ASN C C 13 173.502 0.009 4 1 . . . . 527 ASN C . 11427 1 1246 . 1 1 97 97 ASN CA C 13 52.511 0.086 27 1 . . . . 527 ASN CA . 11427 1 1247 . 1 1 97 97 ASN CB C 13 39.486 0.074 25 1 . . . . 527 ASN CB . 11427 1 1248 . 1 1 97 97 ASN CG C 13 175.607 0.010 4 1 . . . . 527 ASN CG . 11427 1 1249 . 1 1 97 97 ASN N N 15 127.119 0.067 64 1 . . . . 527 ASN N . 11427 1 1250 . 1 1 97 97 ASN ND2 N 15 110.530 0.051 78 1 . . . . 527 ASN ND2 . 11427 1 1251 . 1 1 98 98 ILE H H 1 8.616 0.006 72 1 . . . . 528 ILE H . 11427 1 1252 . 1 1 98 98 ILE HA H 1 4.699 0.006 27 1 . . . . 528 ILE HA . 11427 1 1253 . 1 1 98 98 ILE HB H 1 2.314 0.011 31 1 . . . . 528 ILE HB . 11427 1 1254 . 1 1 98 98 ILE HD11 H 1 0.558 0.009 32 1 . . . . 528 ILE MD . 11427 1 1255 . 1 1 98 98 ILE HD12 H 1 0.558 0.009 32 1 . . . . 528 ILE MD . 11427 1 1256 . 1 1 98 98 ILE HD13 H 1 0.558 0.009 32 1 . . . . 528 ILE MD . 11427 1 1257 . 1 1 98 98 ILE HG12 H 1 1.638 0.008 22 2 . . . . 528 ILE HG12 . 11427 1 1258 . 1 1 98 98 ILE HG13 H 1 1.134 0.009 23 2 . . . . 528 ILE HG13 . 11427 1 1259 . 1 1 98 98 ILE HG21 H 1 0.543 0.010 39 1 . . . . 528 ILE MG . 11427 1 1260 . 1 1 98 98 ILE HG22 H 1 0.543 0.010 39 1 . . . . 528 ILE MG . 11427 1 1261 . 1 1 98 98 ILE HG23 H 1 0.543 0.010 39 1 . . . . 528 ILE MG . 11427 1 1262 . 1 1 98 98 ILE C C 13 175.692 0.009 4 1 . . . . 528 ILE C . 11427 1 1263 . 1 1 98 98 ILE CA C 13 57.814 0.084 15 1 . . . . 528 ILE CA . 11427 1 1264 . 1 1 98 98 ILE CB C 13 35.997 0.099 14 1 . . . . 528 ILE CB . 11427 1 1265 . 1 1 98 98 ILE CD1 C 13 9.702 0.039 24 1 . . . . 528 ILE CD1 . 11427 1 1266 . 1 1 98 98 ILE CG1 C 13 25.752 0.140 25 1 . . . . 528 ILE CG1 . 11427 1 1267 . 1 1 98 98 ILE CG2 C 13 17.004 0.089 29 1 . . . . 528 ILE CG2 . 11427 1 1268 . 1 1 98 98 ILE N N 15 124.716 0.035 55 1 . . . . 528 ILE N . 11427 1 1269 . 1 1 99 99 LYS H H 1 9.053 0.006 95 1 . . . . 529 LYS H . 11427 1 1270 . 1 1 99 99 LYS HA H 1 4.964 0.010 38 1 . . . . 529 LYS HA . 11427 1 1271 . 1 1 99 99 LYS HB2 H 1 1.733 0.010 17 2 . . . . 529 LYS HB2 . 11427 1 1272 . 1 1 99 99 LYS HB3 H 1 1.636 0.009 15 2 . . . . 529 LYS HB3 . 11427 1 1273 . 1 1 99 99 LYS HD2 H 1 1.734 0.013 20 2 . . . . 529 LYS QD . 11427 1 1274 . 1 1 99 99 LYS HD3 H 1 1.734 0.013 20 2 . . . . 529 LYS QD . 11427 1 1275 . 1 1 99 99 LYS HE2 H 1 3.011 0.006 8 2 . . . . 529 LYS HE2 . 11427 1 1276 . 1 1 99 99 LYS HE3 H 1 2.949 0.010 5 2 . . . . 529 LYS HE3 . 11427 1 1277 . 1 1 99 99 LYS HG2 H 1 1.482 0.007 11 2 . . . . 529 LYS HG2 . 11427 1 1278 . 1 1 99 99 LYS HG3 H 1 1.299 0.009 26 2 . . . . 529 LYS HG3 . 11427 1 1279 . 1 1 99 99 LYS C C 13 174.819 0.007 4 1 . . . . 529 LYS C . 11427 1 1280 . 1 1 99 99 LYS CA C 13 53.224 0.094 20 1 . . . . 529 LYS CA . 11427 1 1281 . 1 1 99 99 LYS CB C 13 35.046 0.104 26 1 . . . . 529 LYS CB . 11427 1 1282 . 1 1 99 99 LYS CD C 13 28.837 0.118 17 1 . . . . 529 LYS CD . 11427 1 1283 . 1 1 99 99 LYS CE C 13 41.938 0.047 15 1 . . . . 529 LYS CE . 11427 1 1284 . 1 1 99 99 LYS CG C 13 24.344 0.077 23 1 . . . . 529 LYS CG . 11427 1 1285 . 1 1 99 99 LYS N N 15 130.539 0.049 77 1 . . . . 529 LYS N . 11427 1 1286 . 1 1 100 100 HIS H H 1 9.064 0.008 81 1 . . . . 530 HIS H . 11427 1 1287 . 1 1 100 100 HIS HA H 1 5.311 0.008 36 1 . . . . 530 HIS HA . 11427 1 1288 . 1 1 100 100 HIS HB2 H 1 3.009 0.011 28 2 . . . . 530 HIS HB2 . 11427 1 1289 . 1 1 100 100 HIS HB3 H 1 2.827 0.006 28 2 . . . . 530 HIS HB3 . 11427 1 1290 . 1 1 100 100 HIS HD2 H 1 6.869 0.012 19 1 . . . . 530 HIS HD2 . 11427 1 1291 . 1 1 100 100 HIS HE1 H 1 7.899 0.011 7 1 . . . . 530 HIS HE1 . 11427 1 1292 . 1 1 100 100 HIS C C 13 175.043 0.005 4 1 . . . . 530 HIS C . 11427 1 1293 . 1 1 100 100 HIS CA C 13 57.185 0.104 25 1 . . . . 530 HIS CA . 11427 1 1294 . 1 1 100 100 HIS CB C 13 31.797 0.122 33 1 . . . . 530 HIS CB . 11427 1 1295 . 1 1 100 100 HIS CD2 C 13 118.414 0.136 9 1 . . . . 530 HIS CD2 . 11427 1 1296 . 1 1 100 100 HIS CE1 C 13 139.369 0.026 8 1 . . . . 530 HIS CE1 . 11427 1 1297 . 1 1 100 100 HIS N N 15 124.396 0.038 67 1 . . . . 530 HIS N . 11427 1 1298 . 1 1 101 101 ARG H H 1 7.331 0.008 91 1 . . . . 531 ARG H . 11427 1 1299 . 1 1 101 101 ARG HA H 1 4.072 0.008 26 1 . . . . 531 ARG HA . 11427 1 1300 . 1 1 101 101 ARG HB2 H 1 1.293 0.006 19 2 . . . . 531 ARG HB2 . 11427 1 1301 . 1 1 101 101 ARG HB3 H 1 1.253 0.008 20 2 . . . . 531 ARG HB3 . 11427 1 1302 . 1 1 101 101 ARG HD2 H 1 2.885 0.013 27 2 . . . . 531 ARG HD2 . 11427 1 1303 . 1 1 101 101 ARG HD3 H 1 2.727 0.011 25 2 . . . . 531 ARG HD3 . 11427 1 1304 . 1 1 101 101 ARG HE H 1 6.669 0.012 31 1 . . . . 531 ARG HE . 11427 1 1305 . 1 1 101 101 ARG HG2 H 1 0.700 0.008 22 2 . . . . 531 ARG QG . 11427 1 1306 . 1 1 101 101 ARG HG3 H 1 0.700 0.008 22 2 . . . . 531 ARG QG . 11427 1 1307 . 1 1 101 101 ARG C C 13 172.754 0.004 4 1 . . . . 531 ARG C . 11427 1 1308 . 1 1 101 101 ARG CA C 13 54.426 0.178 17 1 . . . . 531 ARG CA . 11427 1 1309 . 1 1 101 101 ARG CB C 13 33.386 0.129 45 1 . . . . 531 ARG CB . 11427 1 1310 . 1 1 101 101 ARG CD C 13 43.855 0.097 35 1 . . . . 531 ARG CD . 11427 1 1311 . 1 1 101 101 ARG CG C 13 25.792 0.102 15 1 . . . . 531 ARG CG . 11427 1 1312 . 1 1 101 101 ARG CZ C 13 159.846 0.034 2 1 . . . . 531 ARG CZ . 11427 1 1313 . 1 1 101 101 ARG N N 15 130.232 0.044 72 1 . . . . 531 ARG N . 11427 1 1314 . 1 1 101 101 ARG NE N 15 81.704 0.072 21 1 . . . . 531 ARG NE . 11427 1 1315 . 1 1 102 102 ASP H H 1 7.919 0.007 62 1 . . . . 532 ASP H . 11427 1 1316 . 1 1 102 102 ASP HA H 1 4.683 0.012 17 1 . . . . 532 ASP HA . 11427 1 1317 . 1 1 102 102 ASP HB2 H 1 2.620 0.003 19 2 . . . . 532 ASP QB . 11427 1 1318 . 1 1 102 102 ASP HB3 H 1 2.620 0.003 19 2 . . . . 532 ASP QB . 11427 1 1319 . 1 1 102 102 ASP C C 13 176.166 0.008 4 1 . . . . 532 ASP C . 11427 1 1320 . 1 1 102 102 ASP CA C 13 55.527 0.093 19 1 . . . . 532 ASP CA . 11427 1 1321 . 1 1 102 102 ASP CB C 13 42.433 0.052 14 1 . . . . 532 ASP CB . 11427 1 1322 . 1 1 102 102 ASP N N 15 119.890 0.052 53 1 . . . . 532 ASP N . 11427 1 1323 . 1 1 103 103 GLU H H 1 7.416 0.009 55 1 . . . . 533 GLU H . 11427 1 1324 . 1 1 103 103 GLU HA H 1 4.654 0.007 18 1 . . . . 533 GLU HA . 11427 1 1325 . 1 1 103 103 GLU HB2 H 1 1.740 0.008 10 2 . . . . 533 GLU HB2 . 11427 1 1326 . 1 1 103 103 GLU HB3 H 1 1.863 0.010 11 2 . . . . 533 GLU HB3 . 11427 1 1327 . 1 1 103 103 GLU HG2 H 1 2.089 0.013 16 2 . . . . 533 GLU QG . 11427 1 1328 . 1 1 103 103 GLU HG3 H 1 2.089 0.013 16 2 . . . . 533 GLU QG . 11427 1 1329 . 1 1 103 103 GLU C C 13 173.570 0.007 4 1 . . . . 533 GLU C . 11427 1 1330 . 1 1 103 103 GLU CA C 13 55.294 0.126 13 1 . . . . 533 GLU CA . 11427 1 1331 . 1 1 103 103 GLU CB C 13 32.220 0.110 12 1 . . . . 533 GLU CB . 11427 1 1332 . 1 1 103 103 GLU CG C 13 35.688 0.063 11 1 . . . . 533 GLU CG . 11427 1 1333 . 1 1 103 103 GLU N N 15 117.359 0.044 44 1 . . . . 533 GLU N . 11427 1 1334 . 1 1 104 104 PHE H H 1 8.639 0.008 59 1 . . . . 534 PHE H . 11427 1 1335 . 1 1 104 104 PHE HA H 1 4.301 0.011 19 1 . . . . 534 PHE HA . 11427 1 1336 . 1 1 104 104 PHE HB2 H 1 2.629 0.013 17 2 . . . . 534 PHE HB2 . 11427 1 1337 . 1 1 104 104 PHE HB3 H 1 3.014 0.010 24 2 . . . . 534 PHE HB3 . 11427 1 1338 . 1 1 104 104 PHE HD1 H 1 6.906 0.014 28 3 . . . . 534 PHE QD . 11427 1 1339 . 1 1 104 104 PHE HD2 H 1 6.906 0.014 28 3 . . . . 534 PHE QD . 11427 1 1340 . 1 1 104 104 PHE HE1 H 1 6.873 0.017 34 3 . . . . 534 PHE QE . 11427 1 1341 . 1 1 104 104 PHE HE2 H 1 6.873 0.017 34 3 . . . . 534 PHE QE . 11427 1 1342 . 1 1 104 104 PHE HZ H 1 6.599 0.015 19 1 . . . . 534 PHE HZ . 11427 1 1343 . 1 1 104 104 PHE C C 13 174.115 0.012 4 1 . . . . 534 PHE C . 11427 1 1344 . 1 1 104 104 PHE CA C 13 56.575 0.078 18 1 . . . . 534 PHE CA . 11427 1 1345 . 1 1 104 104 PHE CB C 13 41.760 0.128 24 1 . . . . 534 PHE CB . 11427 1 1346 . 1 1 104 104 PHE CD1 C 13 131.206 0.145 17 3 . . . . 534 PHE CD1 . 11427 1 1347 . 1 1 104 104 PHE CD2 C 13 131.206 0.145 17 3 . . . . 534 PHE CD2 . 11427 1 1348 . 1 1 104 104 PHE CE1 C 13 129.978 0.148 17 3 . . . . 534 PHE CE1 . 11427 1 1349 . 1 1 104 104 PHE CE2 C 13 129.978 0.148 17 3 . . . . 534 PHE CE2 . 11427 1 1350 . 1 1 104 104 PHE CZ C 13 128.623 0.097 7 1 . . . . 534 PHE CZ . 11427 1 1351 . 1 1 104 104 PHE N N 15 121.757 0.051 45 1 . . . . 534 PHE N . 11427 1 1352 . 1 1 105 105 ASP H H 1 9.312 0.006 67 1 . . . . 535 ASP H . 11427 1 1353 . 1 1 105 105 ASP HA H 1 4.587 0.010 19 1 . . . . 535 ASP HA . 11427 1 1354 . 1 1 105 105 ASP HB2 H 1 2.604 0.008 7 2 . . . . 535 ASP HB2 . 11427 1 1355 . 1 1 105 105 ASP HB3 H 1 2.529 0.007 14 2 . . . . 535 ASP HB3 . 11427 1 1356 . 1 1 105 105 ASP C C 13 176.206 0.008 4 1 . . . . 535 ASP C . 11427 1 1357 . 1 1 105 105 ASP CA C 13 53.496 0.172 15 1 . . . . 535 ASP CA . 11427 1 1358 . 1 1 105 105 ASP CB C 13 42.978 0.130 24 1 . . . . 535 ASP CB . 11427 1 1359 . 1 1 105 105 ASP N N 15 124.466 0.039 51 1 . . . . 535 ASP N . 11427 1 1360 . 1 1 106 106 GLU H H 1 8.954 0.008 43 1 . . . . 536 GLU H . 11427 1 1361 . 1 1 106 106 GLU HA H 1 3.974 0.009 31 1 . . . . 536 GLU HA . 11427 1 1362 . 1 1 106 106 GLU HB2 H 1 2.040 0.006 18 2 . . . . 536 GLU QB . 11427 1 1363 . 1 1 106 106 GLU HB3 H 1 2.040 0.006 18 2 . . . . 536 GLU QB . 11427 1 1364 . 1 1 106 106 GLU HG2 H 1 2.330 0.005 5 2 . . . . 536 GLU HG2 . 11427 1 1365 . 1 1 106 106 GLU HG3 H 1 2.289 0.009 6 2 . . . . 536 GLU HG3 . 11427 1 1366 . 1 1 106 106 GLU C C 13 176.471 0.003 4 1 . . . . 536 GLU C . 11427 1 1367 . 1 1 106 106 GLU CA C 13 59.032 0.081 25 1 . . . . 536 GLU CA . 11427 1 1368 . 1 1 106 106 GLU CB C 13 29.576 0.042 8 1 . . . . 536 GLU CB . 11427 1 1369 . 1 1 106 106 GLU CG C 13 36.150 0.064 16 1 . . . . 536 GLU CG . 11427 1 1370 . 1 1 106 106 GLU N N 15 126.407 0.021 37 1 . . . . 536 GLU N . 11427 1 1371 . 1 1 107 107 GLU H H 1 7.976 0.008 59 1 . . . . 537 GLU H . 11427 1 1372 . 1 1 107 107 GLU HA H 1 4.224 0.010 16 1 . . . . 537 GLU HA . 11427 1 1373 . 1 1 107 107 GLU HB2 H 1 2.052 0.009 13 2 . . . . 537 GLU QB . 11427 1 1374 . 1 1 107 107 GLU HB3 H 1 2.052 0.009 13 2 . . . . 537 GLU QB . 11427 1 1375 . 1 1 107 107 GLU HG2 H 1 2.280 0.004 6 2 . . . . 537 GLU QG . 11427 1 1376 . 1 1 107 107 GLU HG3 H 1 2.280 0.004 6 2 . . . . 537 GLU QG . 11427 1 1377 . 1 1 107 107 GLU C C 13 177.837 0.006 4 1 . . . . 537 GLU C . 11427 1 1378 . 1 1 107 107 GLU CA C 13 57.682 0.047 12 1 . . . . 537 GLU CA . 11427 1 1379 . 1 1 107 107 GLU CB C 13 30.261 0.032 7 1 . . . . 537 GLU CB . 11427 1 1380 . 1 1 107 107 GLU CG C 13 36.264 0.098 6 1 . . . . 537 GLU CG . 11427 1 1381 . 1 1 107 107 GLU N N 15 115.940 0.045 49 1 . . . . 537 GLU N . 11427 1 1382 . 1 1 108 108 LYS H H 1 8.366 0.007 66 1 . . . . 538 LYS H . 11427 1 1383 . 1 1 108 108 LYS HA H 1 4.260 0.009 23 1 . . . . 538 LYS HA . 11427 1 1384 . 1 1 108 108 LYS HB2 H 1 1.649 0.009 16 2 . . . . 538 LYS HB2 . 11427 1 1385 . 1 1 108 108 LYS HB3 H 1 1.966 0.010 15 2 . . . . 538 LYS HB3 . 11427 1 1386 . 1 1 108 108 LYS HD2 H 1 1.643 0.008 10 2 . . . . 538 LYS QD . 11427 1 1387 . 1 1 108 108 LYS HD3 H 1 1.643 0.008 10 2 . . . . 538 LYS QD . 11427 1 1388 . 1 1 108 108 LYS HE2 H 1 2.960 0.012 13 2 . . . . 538 LYS QE . 11427 1 1389 . 1 1 108 108 LYS HE3 H 1 2.960 0.012 13 2 . . . . 538 LYS QE . 11427 1 1390 . 1 1 108 108 LYS HG2 H 1 1.491 0.007 8 2 . . . . 538 LYS HG2 . 11427 1 1391 . 1 1 108 108 LYS HG3 H 1 1.417 0.008 7 2 . . . . 538 LYS HG3 . 11427 1 1392 . 1 1 108 108 LYS C C 13 176.787 0.004 4 1 . . . . 538 LYS C . 11427 1 1393 . 1 1 108 108 LYS CA C 13 56.914 0.107 12 1 . . . . 538 LYS CA . 11427 1 1394 . 1 1 108 108 LYS CB C 13 33.967 0.124 19 1 . . . . 538 LYS CB . 11427 1 1395 . 1 1 108 108 LYS CD C 13 28.703 0.146 8 1 . . . . 538 LYS CD . 11427 1 1396 . 1 1 108 108 LYS CE C 13 41.792 0.058 8 1 . . . . 538 LYS CE . 11427 1 1397 . 1 1 108 108 LYS CG C 13 25.290 0.124 12 1 . . . . 538 LYS CG . 11427 1 1398 . 1 1 108 108 LYS N N 15 116.943 0.018 50 1 . . . . 538 LYS N . 11427 1 1399 . 1 1 109 109 GLU H H 1 8.405 0.006 81 1 . . . . 539 GLU H . 11427 1 1400 . 1 1 109 109 GLU HA H 1 4.856 0.007 30 1 . . . . 539 GLU HA . 11427 1 1401 . 1 1 109 109 GLU HB2 H 1 2.597 0.008 31 2 . . . . 539 GLU HB2 . 11427 1 1402 . 1 1 109 109 GLU HB3 H 1 1.836 0.011 22 2 . . . . 539 GLU HB3 . 11427 1 1403 . 1 1 109 109 GLU HG2 H 1 2.209 0.006 13 2 . . . . 539 GLU HG2 . 11427 1 1404 . 1 1 109 109 GLU HG3 H 1 2.044 0.011 11 2 . . . . 539 GLU HG3 . 11427 1 1405 . 1 1 109 109 GLU C C 13 174.511 . 1 1 . . . . 539 GLU C . 11427 1 1406 . 1 1 109 109 GLU CA C 13 53.184 0.077 18 1 . . . . 539 GLU CA . 11427 1 1407 . 1 1 109 109 GLU CB C 13 29.007 0.093 30 1 . . . . 539 GLU CB . 11427 1 1408 . 1 1 109 109 GLU CG C 13 35.072 0.068 13 1 . . . . 539 GLU CG . 11427 1 1409 . 1 1 109 109 GLU N N 15 118.057 0.044 70 1 . . . . 539 GLU N . 11427 1 1410 . 1 1 110 110 PRO HA H 1 4.313 0.015 34 1 . . . . 540 PRO HA . 11427 1 1411 . 1 1 110 110 PRO HB2 H 1 2.302 0.013 15 2 . . . . 540 PRO HB2 . 11427 1 1412 . 1 1 110 110 PRO HB3 H 1 1.988 0.007 10 2 . . . . 540 PRO HB3 . 11427 1 1413 . 1 1 110 110 PRO HD2 H 1 3.550 0.007 21 2 . . . . 540 PRO HD2 . 11427 1 1414 . 1 1 110 110 PRO HD3 H 1 3.246 0.006 34 2 . . . . 540 PRO HD3 . 11427 1 1415 . 1 1 110 110 PRO HG2 H 1 1.980 0.010 9 2 . . . . 540 PRO HG2 . 11427 1 1416 . 1 1 110 110 PRO HG3 H 1 1.833 0.006 13 2 . . . . 540 PRO HG3 . 11427 1 1417 . 1 1 110 110 PRO C C 13 177.543 0.070 4 1 . . . . 540 PRO C . 11427 1 1418 . 1 1 110 110 PRO CA C 13 64.597 0.118 26 1 . . . . 540 PRO CA . 11427 1 1419 . 1 1 110 110 PRO CB C 13 31.654 0.096 14 1 . . . . 540 PRO CB . 11427 1 1420 . 1 1 110 110 PRO CD C 13 50.374 0.104 30 1 . . . . 540 PRO CD . 11427 1 1421 . 1 1 110 110 PRO CG C 13 27.006 0.146 17 1 . . . . 540 PRO CG . 11427 1 1422 . 1 1 111 111 ASP H H 1 8.324 0.009 60 1 . . . . 541 ASP H . 11427 1 1423 . 1 1 111 111 ASP HA H 1 4.569 0.009 14 1 . . . . 541 ASP HA . 11427 1 1424 . 1 1 111 111 ASP HB2 H 1 2.649 0.007 10 2 . . . . 541 ASP HB2 . 11427 1 1425 . 1 1 111 111 ASP HB3 H 1 2.546 0.011 15 2 . . . . 541 ASP HB3 . 11427 1 1426 . 1 1 111 111 ASP C C 13 176.864 0.006 4 1 . . . . 541 ASP C . 11427 1 1427 . 1 1 111 111 ASP CA C 13 54.791 0.049 12 1 . . . . 541 ASP CA . 11427 1 1428 . 1 1 111 111 ASP CB C 13 40.878 0.077 19 1 . . . . 541 ASP CB . 11427 1 1429 . 1 1 111 111 ASP N N 15 115.970 0.027 49 1 . . . . 541 ASP N . 11427 1 1430 . 1 1 112 112 GLY H H 1 8.067 0.004 59 1 . . . . 542 GLY H . 11427 1 1431 . 1 1 112 112 GLY HA2 H 1 3.462 0.007 22 2 . . . . 542 GLY HA2 . 11427 1 1432 . 1 1 112 112 GLY HA3 H 1 2.838 0.008 22 2 . . . . 542 GLY HA3 . 11427 1 1433 . 1 1 112 112 GLY C C 13 170.184 0.052 5 1 . . . . 542 GLY C . 11427 1 1434 . 1 1 112 112 GLY CA C 13 45.311 0.097 33 1 . . . . 542 GLY CA . 11427 1 1435 . 1 1 112 112 GLY N N 15 106.895 0.020 49 1 . . . . 542 GLY N . 11427 1 1436 . 1 1 113 113 MET H H 1 6.585 0.006 77 1 . . . . 543 MET H . 11427 1 1437 . 1 1 113 113 MET HA H 1 4.438 0.013 22 1 . . . . 543 MET HA . 11427 1 1438 . 1 1 113 113 MET HB2 H 1 1.958 0.012 16 2 . . . . 543 MET HB2 . 11427 1 1439 . 1 1 113 113 MET HB3 H 1 1.641 0.009 28 2 . . . . 543 MET HB3 . 11427 1 1440 . 1 1 113 113 MET HG2 H 1 2.129 0.007 12 2 . . . . 543 MET HG2 . 11427 1 1441 . 1 1 113 113 MET HG3 H 1 2.059 0.006 7 2 . . . . 543 MET HG3 . 11427 1 1442 . 1 1 113 113 MET C C 13 174.716 0.005 4 1 . . . . 543 MET C . 11427 1 1443 . 1 1 113 113 MET CA C 13 53.983 0.096 10 1 . . . . 543 MET CA . 11427 1 1444 . 1 1 113 113 MET CB C 13 36.224 0.096 24 1 . . . . 543 MET CB . 11427 1 1445 . 1 1 113 113 MET CG C 13 30.862 0.086 18 1 . . . . 543 MET CG . 11427 1 1446 . 1 1 113 113 MET N N 15 109.698 0.035 59 1 . . . . 543 MET N . 11427 1 1447 . 1 1 114 114 VAL H H 1 8.692 0.004 79 1 . . . . 544 VAL H . 11427 1 1448 . 1 1 114 114 VAL HA H 1 4.391 0.011 25 1 . . . . 544 VAL HA . 11427 1 1449 . 1 1 114 114 VAL HB H 1 2.011 0.011 20 1 . . . . 544 VAL HB . 11427 1 1450 . 1 1 114 114 VAL HG11 H 1 0.975 0.005 17 2 . . . . 544 VAL MG1 . 11427 1 1451 . 1 1 114 114 VAL HG12 H 1 0.975 0.005 17 2 . . . . 544 VAL MG1 . 11427 1 1452 . 1 1 114 114 VAL HG13 H 1 0.975 0.005 17 2 . . . . 544 VAL MG1 . 11427 1 1453 . 1 1 114 114 VAL HG21 H 1 1.018 0.007 14 2 . . . . 544 VAL MG2 . 11427 1 1454 . 1 1 114 114 VAL HG22 H 1 1.018 0.007 14 2 . . . . 544 VAL MG2 . 11427 1 1455 . 1 1 114 114 VAL HG23 H 1 1.018 0.007 14 2 . . . . 544 VAL MG2 . 11427 1 1456 . 1 1 114 114 VAL C C 13 173.763 0.004 4 1 . . . . 544 VAL C . 11427 1 1457 . 1 1 114 114 VAL CA C 13 61.892 0.061 21 1 . . . . 544 VAL CA . 11427 1 1458 . 1 1 114 114 VAL CB C 13 36.026 0.086 10 1 . . . . 544 VAL CB . 11427 1 1459 . 1 1 114 114 VAL CG1 C 13 20.863 0.092 12 2 . . . . 544 VAL CG1 . 11427 1 1460 . 1 1 114 114 VAL CG2 C 13 21.045 0.134 9 2 . . . . 544 VAL CG2 . 11427 1 1461 . 1 1 114 114 VAL N N 15 120.753 0.030 68 1 . . . . 544 VAL N . 11427 1 1462 . 1 1 115 115 LEU H H 1 9.275 0.009 66 1 . . . . 545 LEU H . 11427 1 1463 . 1 1 115 115 LEU HA H 1 5.432 0.011 45 1 . . . . 545 LEU HA . 11427 1 1464 . 1 1 115 115 LEU HB2 H 1 1.093 0.008 28 2 . . . . 545 LEU HB2 . 11427 1 1465 . 1 1 115 115 LEU HB3 H 1 1.965 0.007 27 2 . . . . 545 LEU HB3 . 11427 1 1466 . 1 1 115 115 LEU HD11 H 1 0.687 0.007 33 2 . . . . 545 LEU MD1 . 11427 1 1467 . 1 1 115 115 LEU HD12 H 1 0.687 0.007 33 2 . . . . 545 LEU MD1 . 11427 1 1468 . 1 1 115 115 LEU HD13 H 1 0.687 0.007 33 2 . . . . 545 LEU MD1 . 11427 1 1469 . 1 1 115 115 LEU HD21 H 1 0.841 0.012 23 2 . . . . 545 LEU MD2 . 11427 1 1470 . 1 1 115 115 LEU HD22 H 1 0.841 0.012 23 2 . . . . 545 LEU MD2 . 11427 1 1471 . 1 1 115 115 LEU HD23 H 1 0.841 0.012 23 2 . . . . 545 LEU MD2 . 11427 1 1472 . 1 1 115 115 LEU HG H 1 1.535 0.010 21 1 . . . . 545 LEU HG . 11427 1 1473 . 1 1 115 115 LEU C C 13 175.391 0.006 4 1 . . . . 545 LEU C . 11427 1 1474 . 1 1 115 115 LEU CA C 13 52.916 0.106 27 1 . . . . 545 LEU CA . 11427 1 1475 . 1 1 115 115 LEU CB C 13 44.306 0.048 35 1 . . . . 545 LEU CB . 11427 1 1476 . 1 1 115 115 LEU CD1 C 13 26.227 0.138 21 2 . . . . 545 LEU CD1 . 11427 1 1477 . 1 1 115 115 LEU CD2 C 13 23.522 0.108 10 2 . . . . 545 LEU CD2 . 11427 1 1478 . 1 1 115 115 LEU CG C 13 26.715 0.078 8 1 . . . . 545 LEU CG . 11427 1 1479 . 1 1 115 115 LEU N N 15 133.183 0.051 51 1 . . . . 545 LEU N . 11427 1 1480 . 1 1 116 116 SER H H 1 9.791 0.009 78 1 . . . . 546 SER H . 11427 1 1481 . 1 1 116 116 SER HA H 1 4.919 0.004 22 1 . . . . 546 SER HA . 11427 1 1482 . 1 1 116 116 SER HB2 H 1 3.917 0.005 38 2 . . . . 546 SER QB . 11427 1 1483 . 1 1 116 116 SER HB3 H 1 3.917 0.005 38 2 . . . . 546 SER QB . 11427 1 1484 . 1 1 116 116 SER C C 13 173.234 0.015 4 1 . . . . 546 SER C . 11427 1 1485 . 1 1 116 116 SER CA C 13 57.745 0.079 20 1 . . . . 546 SER CA . 11427 1 1486 . 1 1 116 116 SER CB C 13 64.865 0.038 25 1 . . . . 546 SER CB . 11427 1 1487 . 1 1 116 116 SER N N 15 123.872 0.036 61 1 . . . . 546 SER N . 11427 1 1488 . 1 1 117 117 GLY H H 1 8.670 0.007 39 1 . . . . 547 GLY H . 11427 1 1489 . 1 1 117 117 GLY HA2 H 1 3.755 0.007 24 2 . . . . 547 GLY HA2 . 11427 1 1490 . 1 1 117 117 GLY HA3 H 1 4.500 0.008 24 2 . . . . 547 GLY HA3 . 11427 1 1491 . 1 1 117 117 GLY C C 13 173.454 0.005 3 1 . . . . 547 GLY C . 11427 1 1492 . 1 1 117 117 GLY CA C 13 44.962 0.049 31 1 . . . . 547 GLY CA . 11427 1 1493 . 1 1 117 117 GLY N N 15 108.533 0.068 29 1 . . . . 547 GLY N . 11427 1 1494 . 1 1 118 118 TRP H H 1 7.888 0.006 62 1 . . . . 548 TRP H . 11427 1 1495 . 1 1 118 118 TRP HA H 1 4.780 0.009 31 1 . . . . 548 TRP HA . 11427 1 1496 . 1 1 118 118 TRP HB2 H 1 3.007 0.009 32 2 . . . . 548 TRP HB2 . 11427 1 1497 . 1 1 118 118 TRP HB3 H 1 3.163 0.009 31 2 . . . . 548 TRP HB3 . 11427 1 1498 . 1 1 118 118 TRP HD1 H 1 7.130 0.014 16 1 . . . . 548 TRP HD1 . 11427 1 1499 . 1 1 118 118 TRP HE1 H 1 9.916 0.006 45 1 . . . . 548 TRP HE1 . 11427 1 1500 . 1 1 118 118 TRP HE3 H 1 7.545 0.014 11 1 . . . . 548 TRP HE3 . 11427 1 1501 . 1 1 118 118 TRP HH2 H 1 7.198 0.004 5 1 . . . . 548 TRP HH2 . 11427 1 1502 . 1 1 118 118 TRP HZ2 H 1 7.472 0.004 4 1 . . . . 548 TRP HZ2 . 11427 1 1503 . 1 1 118 118 TRP HZ3 H 1 7.098 0.014 4 1 . . . . 548 TRP HZ3 . 11427 1 1504 . 1 1 118 118 TRP C C 13 174.958 0.007 4 1 . . . . 548 TRP C . 11427 1 1505 . 1 1 118 118 TRP CA C 13 56.093 0.088 19 1 . . . . 548 TRP CA . 11427 1 1506 . 1 1 118 118 TRP CB C 13 30.914 0.069 42 1 . . . . 548 TRP CB . 11427 1 1507 . 1 1 118 118 TRP CD1 C 13 126.441 0.064 10 1 . . . . 548 TRP CD1 . 11427 1 1508 . 1 1 118 118 TRP CE2 C 13 138.847 . 1 1 . . . . 548 TRP CE2 . 11427 1 1509 . 1 1 118 118 TRP CE3 C 13 120.593 0.351 5 1 . . . . 548 TRP CE3 . 11427 1 1510 . 1 1 118 118 TRP CH2 C 13 124.547 0.214 4 1 . . . . 548 TRP CH2 . 11427 1 1511 . 1 1 118 118 TRP CZ2 C 13 114.608 0.041 3 1 . . . . 548 TRP CZ2 . 11427 1 1512 . 1 1 118 118 TRP CZ3 C 13 120.959 0.182 3 1 . . . . 548 TRP CZ3 . 11427 1 1513 . 1 1 118 118 TRP N N 15 121.189 0.056 48 1 . . . . 548 TRP N . 11427 1 1514 . 1 1 118 118 TRP NE1 N 15 129.243 0.039 40 1 . . . . 548 TRP NE1 . 11427 1 1515 . 1 1 119 119 SER H H 1 7.713 0.004 37 1 . . . . 549 SER H . 11427 1 1516 . 1 1 119 119 SER HA H 1 4.204 0.007 15 1 . . . . 549 SER HA . 11427 1 1517 . 1 1 119 119 SER HB2 H 1 3.616 0.011 16 2 . . . . 549 SER QB . 11427 1 1518 . 1 1 119 119 SER HB3 H 1 3.616 0.011 16 2 . . . . 549 SER QB . 11427 1 1519 . 1 1 119 119 SER C C 13 171.979 0.006 4 1 . . . . 549 SER C . 11427 1 1520 . 1 1 119 119 SER CA C 13 57.444 0.069 11 1 . . . . 549 SER CA . 11427 1 1521 . 1 1 119 119 SER CB C 13 63.787 0.035 10 1 . . . . 549 SER CB . 11427 1 1522 . 1 1 119 119 SER N N 15 120.032 0.031 34 1 . . . . 549 SER N . 11427 1 1523 . 1 1 120 120 ALA H H 1 7.594 0.008 50 1 . . . . 550 ALA H . 11427 1 1524 . 1 1 120 120 ALA HA H 1 3.933 0.007 14 1 . . . . 550 ALA HA . 11427 1 1525 . 1 1 120 120 ALA HB1 H 1 1.249 0.009 12 1 . . . . 550 ALA MB . 11427 1 1526 . 1 1 120 120 ALA HB2 H 1 1.249 0.009 12 1 . . . . 550 ALA MB . 11427 1 1527 . 1 1 120 120 ALA HB3 H 1 1.249 0.009 12 1 . . . . 550 ALA MB . 11427 1 1528 . 1 1 120 120 ALA C C 13 182.120 . 1 1 . . . . 550 ALA C . 11427 1 1529 . 1 1 120 120 ALA CA C 13 53.500 0.048 12 1 . . . . 550 ALA CA . 11427 1 1530 . 1 1 120 120 ALA CB C 13 19.718 0.021 9 1 . . . . 550 ALA CB . 11427 1 1531 . 1 1 120 120 ALA N N 15 131.061 0.025 39 1 . . . . 550 ALA N . 11427 1 stop_ save_