data_18467 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18467 _Entry.Title ; FAS1-4, R555W ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-16 _Entry.Accession_date 2012-05-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jarl Underhaug . . . 18467 2 'Niels Chr.' Nielsen . . . 18467 3 Kasper Runager . . . 18467 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18467 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Human . 18467 Protein . 18467 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18467 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 18467 '15N chemical shifts' 132 18467 '1H chemical shifts' 855 18467 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 . . 2014-05-13 2012-05-17 update BMRB 'update entry citation' 18467 1 . . 2013-08-15 2012-05-17 original author 'original release' 18467 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18466 'Wild-type FAS1-4' 18467 PDB 2LTC 'BMRB Entry Tracking System' 18467 stop_ save_ ############### # Citations # ############### save_Citation _Citation.Sf_category citations _Citation.Sf_framecode Citation _Citation.Entry_ID 18467 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24129074 _Citation.Full_citation . _Citation.Title 'Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1834 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2812 _Citation.Page_last 2822 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jarl Underhaug . . . 18467 1 2 Heidi Kolds . . . 18467 1 3 Kasper Runager . . . 18467 1 4 'Jakob Toudahl' Nielsen . . . 18467 1 5 Charlotte Srensen . S. . 18467 1 6 Torsten Kristensen . . . 18467 1 7 Daniel Otzen . E. . 18467 1 8 Henrik Karring . . . 18467 1 9 Anders Malmendal . . . 18467 1 10 Birgit Schitt . . . 18467 1 11 Jan Enghild . J. . 18467 1 12 'Niels Chr' Nielsen . . . 18467 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18467 _Assembly.ID 1 _Assembly.Name FAS1-4_R555W _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FAS1-4_R555W 1 $FAS1-4_R555W A . yes native no no . . . 18467 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAS1-4_R555W _Entity.Sf_category entity _Entity.Sf_framecode FAS1-4_R555W _Entity.Entry_ID 18467 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAS1-4_R555W _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGMGTVMDVLKGDNRFSMLV AAIQSAGLTETLNREGVYTV FAPTNEAFRALPPREWSRLL GDAKELANILKYHIGDEILV SGGIGALVRLKSLQGDKLEV SLKNNVVSVNKEPVAEPDIM ATNGVVHVITNVLQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'R555W, P634A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14484.779 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11311 . "FAS1 domain" . . . . . 99.26 146 98.51 99.25 3.03e-88 . . . . 18467 1 2 no BMRB 18466 . Wild-type_FAS1-4 . . . . . 99.26 135 99.25 99.25 1.38e-88 . . . . 18467 1 3 no BMRB 25425 . FAS1-4_domain_of_TGFBIp . . . . . 99.26 158 98.51 98.51 9.27e-88 . . . . 18467 1 4 no PDB 1X3B . "Solution Structure Of The Fas1 Domain Of Human Transforming Growth Factor-Beta Induced Protein Ig-H3" . . . . . 99.26 146 98.51 99.25 3.03e-88 . . . . 18467 1 5 no PDB 2LTB . "Wild-type Fas1-4" . . . . . 99.26 135 99.25 99.25 1.38e-88 . . . . 18467 1 6 no PDB 2LTC . "Fas1-4, R555w" . . . . . 100.00 135 100.00 100.00 4.92e-91 . . . . 18467 1 7 no PDB 2VXP . "The Fourth Fas1 Domain Structure Of Human Bigh3" . . . . . 97.78 132 99.24 99.24 3.06e-87 . . . . 18467 1 8 no GB AAC24944 . "BIGH3 [Homo sapiens]" . . . . . 97.78 212 99.24 99.24 1.49e-86 . . . . 18467 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 1 500 ALA . 18467 1 2 501 GLY . 18467 1 3 502 MET . 18467 1 4 503 GLY . 18467 1 5 504 THR . 18467 1 6 505 VAL . 18467 1 7 506 MET . 18467 1 8 507 ASP . 18467 1 9 508 VAL . 18467 1 10 509 LEU . 18467 1 11 510 LYS . 18467 1 12 511 GLY . 18467 1 13 512 ASP . 18467 1 14 513 ASN . 18467 1 15 514 ARG . 18467 1 16 515 PHE . 18467 1 17 516 SER . 18467 1 18 517 MET . 18467 1 19 518 LEU . 18467 1 20 519 VAL . 18467 1 21 520 ALA . 18467 1 22 521 ALA . 18467 1 23 522 ILE . 18467 1 24 523 GLN . 18467 1 25 524 SER . 18467 1 26 525 ALA . 18467 1 27 526 GLY . 18467 1 28 527 LEU . 18467 1 29 528 THR . 18467 1 30 529 GLU . 18467 1 31 530 THR . 18467 1 32 531 LEU . 18467 1 33 532 ASN . 18467 1 34 533 ARG . 18467 1 35 534 GLU . 18467 1 36 535 GLY . 18467 1 37 536 VAL . 18467 1 38 537 TYR . 18467 1 39 538 THR . 18467 1 40 539 VAL . 18467 1 41 540 PHE . 18467 1 42 541 ALA . 18467 1 43 542 PRO . 18467 1 44 543 THR . 18467 1 45 544 ASN . 18467 1 46 545 GLU . 18467 1 47 546 ALA . 18467 1 48 547 PHE . 18467 1 49 548 ARG . 18467 1 50 549 ALA . 18467 1 51 550 LEU . 18467 1 52 551 PRO . 18467 1 53 552 PRO . 18467 1 54 553 ARG . 18467 1 55 554 GLU . 18467 1 56 555 TRP . 18467 1 57 556 SER . 18467 1 58 557 ARG . 18467 1 59 558 LEU . 18467 1 60 559 LEU . 18467 1 61 560 GLY . 18467 1 62 561 ASP . 18467 1 63 562 ALA . 18467 1 64 563 LYS . 18467 1 65 564 GLU . 18467 1 66 565 LEU . 18467 1 67 566 ALA . 18467 1 68 567 ASN . 18467 1 69 568 ILE . 18467 1 70 569 LEU . 18467 1 71 570 LYS . 18467 1 72 571 TYR . 18467 1 73 572 HIS . 18467 1 74 573 ILE . 18467 1 75 574 GLY . 18467 1 76 575 ASP . 18467 1 77 576 GLU . 18467 1 78 577 ILE . 18467 1 79 578 LEU . 18467 1 80 579 VAL . 18467 1 81 580 SER . 18467 1 82 581 GLY . 18467 1 83 582 GLY . 18467 1 84 583 ILE . 18467 1 85 584 GLY . 18467 1 86 585 ALA . 18467 1 87 586 LEU . 18467 1 88 587 VAL . 18467 1 89 588 ARG . 18467 1 90 589 LEU . 18467 1 91 590 LYS . 18467 1 92 591 SER . 18467 1 93 592 LEU . 18467 1 94 593 GLN . 18467 1 95 594 GLY . 18467 1 96 595 ASP . 18467 1 97 596 LYS . 18467 1 98 597 LEU . 18467 1 99 598 GLU . 18467 1 100 599 VAL . 18467 1 101 600 SER . 18467 1 102 601 LEU . 18467 1 103 602 LYS . 18467 1 104 603 ASN . 18467 1 105 604 ASN . 18467 1 106 605 VAL . 18467 1 107 606 VAL . 18467 1 108 607 SER . 18467 1 109 608 VAL . 18467 1 110 609 ASN . 18467 1 111 610 LYS . 18467 1 112 611 GLU . 18467 1 113 612 PRO . 18467 1 114 613 VAL . 18467 1 115 614 ALA . 18467 1 116 615 GLU . 18467 1 117 616 PRO . 18467 1 118 617 ASP . 18467 1 119 618 ILE . 18467 1 120 619 MET . 18467 1 121 620 ALA . 18467 1 122 621 THR . 18467 1 123 622 ASN . 18467 1 124 623 GLY . 18467 1 125 624 VAL . 18467 1 126 625 VAL . 18467 1 127 626 HIS . 18467 1 128 627 VAL . 18467 1 129 628 ILE . 18467 1 130 629 THR . 18467 1 131 630 ASN . 18467 1 132 631 VAL . 18467 1 133 632 LEU . 18467 1 134 633 GLN . 18467 1 135 634 ALA . 18467 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 . ALA 1 1 18467 1 . GLY 2 2 18467 1 . MET 3 3 18467 1 . GLY 4 4 18467 1 . THR 5 5 18467 1 . VAL 6 6 18467 1 . MET 7 7 18467 1 . ASP 8 8 18467 1 . VAL 9 9 18467 1 . LEU 10 10 18467 1 . LYS 11 11 18467 1 . GLY 12 12 18467 1 . ASP 13 13 18467 1 . ASN 14 14 18467 1 . ARG 15 15 18467 1 . PHE 16 16 18467 1 . SER 17 17 18467 1 . MET 18 18 18467 1 . LEU 19 19 18467 1 . VAL 20 20 18467 1 . ALA 21 21 18467 1 . ALA 22 22 18467 1 . ILE 23 23 18467 1 . GLN 24 24 18467 1 . SER 25 25 18467 1 . ALA 26 26 18467 1 . GLY 27 27 18467 1 . LEU 28 28 18467 1 . THR 29 29 18467 1 . GLU 30 30 18467 1 . THR 31 31 18467 1 . LEU 32 32 18467 1 . ASN 33 33 18467 1 . ARG 34 34 18467 1 . GLU 35 35 18467 1 . GLY 36 36 18467 1 . VAL 37 37 18467 1 . TYR 38 38 18467 1 . THR 39 39 18467 1 . VAL 40 40 18467 1 . PHE 41 41 18467 1 . ALA 42 42 18467 1 . PRO 43 43 18467 1 . THR 44 44 18467 1 . ASN 45 45 18467 1 . GLU 46 46 18467 1 . ALA 47 47 18467 1 . PHE 48 48 18467 1 . ARG 49 49 18467 1 . ALA 50 50 18467 1 . LEU 51 51 18467 1 . PRO 52 52 18467 1 . PRO 53 53 18467 1 . ARG 54 54 18467 1 . GLU 55 55 18467 1 . TRP 56 56 18467 1 . SER 57 57 18467 1 . ARG 58 58 18467 1 . LEU 59 59 18467 1 . LEU 60 60 18467 1 . GLY 61 61 18467 1 . ASP 62 62 18467 1 . ALA 63 63 18467 1 . LYS 64 64 18467 1 . GLU 65 65 18467 1 . LEU 66 66 18467 1 . ALA 67 67 18467 1 . ASN 68 68 18467 1 . ILE 69 69 18467 1 . LEU 70 70 18467 1 . LYS 71 71 18467 1 . TYR 72 72 18467 1 . HIS 73 73 18467 1 . ILE 74 74 18467 1 . GLY 75 75 18467 1 . ASP 76 76 18467 1 . GLU 77 77 18467 1 . ILE 78 78 18467 1 . LEU 79 79 18467 1 . VAL 80 80 18467 1 . SER 81 81 18467 1 . GLY 82 82 18467 1 . GLY 83 83 18467 1 . ILE 84 84 18467 1 . GLY 85 85 18467 1 . ALA 86 86 18467 1 . LEU 87 87 18467 1 . VAL 88 88 18467 1 . ARG 89 89 18467 1 . LEU 90 90 18467 1 . LYS 91 91 18467 1 . SER 92 92 18467 1 . LEU 93 93 18467 1 . GLN 94 94 18467 1 . GLY 95 95 18467 1 . ASP 96 96 18467 1 . LYS 97 97 18467 1 . LEU 98 98 18467 1 . GLU 99 99 18467 1 . VAL 100 100 18467 1 . SER 101 101 18467 1 . LEU 102 102 18467 1 . LYS 103 103 18467 1 . ASN 104 104 18467 1 . ASN 105 105 18467 1 . VAL 106 106 18467 1 . VAL 107 107 18467 1 . SER 108 108 18467 1 . VAL 109 109 18467 1 . ASN 110 110 18467 1 . LYS 111 111 18467 1 . GLU 112 112 18467 1 . PRO 113 113 18467 1 . VAL 114 114 18467 1 . ALA 115 115 18467 1 . GLU 116 116 18467 1 . PRO 117 117 18467 1 . ASP 118 118 18467 1 . ILE 119 119 18467 1 . MET 120 120 18467 1 . ALA 121 121 18467 1 . THR 122 122 18467 1 . ASN 123 123 18467 1 . GLY 124 124 18467 1 . VAL 125 125 18467 1 . VAL 126 126 18467 1 . HIS 127 127 18467 1 . VAL 128 128 18467 1 . ILE 129 129 18467 1 . THR 130 130 18467 1 . ASN 131 131 18467 1 . VAL 132 132 18467 1 . LEU 133 133 18467 1 . GLN 134 134 18467 1 . ALA 135 135 18467 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 18467 _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 $FAS1-4_R555W . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18467 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 18467 _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 $FAS1-4_R555W . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pET SUMO' . . . . . . 18467 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18467 _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 'FAS1-4, R555W' '[U-99% 13C; U-99% 15N]' . . 1 $FAS1-4_R555W . . 0.2 . . mM . . . . 18467 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18467 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18467 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18467 1 5 'sodium azide' 'natural abundance' . . . . . . 0.5 . . % . . . . 18467 1 6 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 18467 1 7 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 18467 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18467 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18467 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18467 _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 7.4 . pH 18467 1 pressure 1 . atm 18467 1 temperature 300 . K 18467 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18467 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18467 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18467 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18467 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18467 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18467 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18467 _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 . . 18467 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18467 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18467 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18467 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18467 4 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 18467 _Software.ID 5 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Valafar, Homayoun, and James H. Prestegard' . . 18467 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18467 5 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18467 _Software.ID 6 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18467 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18467 6 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18467 _Software.ID 7 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18467 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18467 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18467 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18467 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18467 _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 Avance . 700 . . . 18467 1 2 spectrometer_2 Bruker Avance . 800 . . . 18467 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 18467 _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 . . . . . . . . . . . . . . . . 18467 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 5 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 11 '3D 15N-TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 12 '3D 13C-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 13 '3D 15N-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 1 14 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18467 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 18467 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18467 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18467 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18467 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_FAS1-4_R555W_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode FAS1-4_R555W_shifts _Assigned_chem_shift_list.Entry_ID 18467 _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' . . . 18467 1 4 '3D CBCA(CO)NH' . . . 18467 1 5 '3D CBCANH' . . . 18467 1 6 '3D HNCO' . . . 18467 1 7 '3D HNCA' . . . 18467 1 8 '3D HN(CA)CO' . . . 18467 1 9 '3D HN(CO)CA' . . . 18467 1 10 '3D HCCH-TOCSY' . . . 18467 1 11 '3D 15N-TOCSY-HSQC' . . . 18467 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET C C 13 175.861 0.000 . 1 . . . A 502 MET C . 18467 1 2 . 1 1 3 3 MET CA C 13 55.905 0.000 . 1 . . . A 502 MET CA . 18467 1 3 . 1 1 3 3 MET CB C 13 34.158 0.000 . 1 . . . A 502 MET CB . 18467 1 4 . 1 1 4 4 GLY H H 1 8.376 0.002 . 1 . . . A 503 GLY H . 18467 1 5 . 1 1 4 4 GLY HA2 H 1 4.393 0.008 . 2 . . . A 503 GLY HA2 . 18467 1 6 . 1 1 4 4 GLY HA3 H 1 4.161 0.007 . 2 . . . A 503 GLY HA3 . 18467 1 7 . 1 1 4 4 GLY C C 13 173.998 0.000 . 1 . . . A 503 GLY C . 18467 1 8 . 1 1 4 4 GLY CA C 13 44.482 0.040 . 1 . . . A 503 GLY CA . 18467 1 9 . 1 1 4 4 GLY N N 15 111.094 0.057 . 1 . . . A 503 GLY N . 18467 1 10 . 1 1 5 5 THR H H 1 9.233 0.002 . 1 . . . A 504 THR H . 18467 1 11 . 1 1 5 5 THR HA H 1 4.440 0.003 . 1 . . . A 504 THR HA . 18467 1 12 . 1 1 5 5 THR HB H 1 4.728 0.004 . 1 . . . A 504 THR HB . 18467 1 13 . 1 1 5 5 THR HG1 H 1 5.046 0.006 . 1 . . . A 504 THR HG1 . 18467 1 14 . 1 1 5 5 THR HG21 H 1 1.223 0.004 . 1 . . . A 504 THR HG21 . 18467 1 15 . 1 1 5 5 THR HG22 H 1 1.223 0.004 . 1 . . . A 504 THR HG22 . 18467 1 16 . 1 1 5 5 THR HG23 H 1 1.223 0.004 . 1 . . . A 504 THR HG23 . 18467 1 17 . 1 1 5 5 THR C C 13 176.360 0.000 . 1 . . . A 504 THR C . 18467 1 18 . 1 1 5 5 THR CA C 13 61.986 0.030 . 1 . . . A 504 THR CA . 18467 1 19 . 1 1 5 5 THR CB C 13 73.034 0.000 . 1 . . . A 504 THR CB . 18467 1 20 . 1 1 5 5 THR CG2 C 13 21.761 0.031 . 1 . . . A 504 THR CG2 . 18467 1 21 . 1 1 5 5 THR N N 15 111.539 0.026 . 1 . . . A 504 THR N . 18467 1 22 . 1 1 6 6 VAL H H 1 9.918 0.004 . 1 . . . A 505 VAL H . 18467 1 23 . 1 1 6 6 VAL HA H 1 3.250 0.006 . 1 . . . A 505 VAL HA . 18467 1 24 . 1 1 6 6 VAL HB H 1 1.992 0.004 . 1 . . . A 505 VAL HB . 18467 1 25 . 1 1 6 6 VAL HG11 H 1 0.803 0.009 . 2 . . . A 505 VAL HG11 . 18467 1 26 . 1 1 6 6 VAL HG12 H 1 0.803 0.009 . 2 . . . A 505 VAL HG12 . 18467 1 27 . 1 1 6 6 VAL HG13 H 1 0.803 0.009 . 2 . . . A 505 VAL HG13 . 18467 1 28 . 1 1 6 6 VAL HG21 H 1 0.709 0.007 . 2 . . . A 505 VAL HG21 . 18467 1 29 . 1 1 6 6 VAL HG22 H 1 0.709 0.007 . 2 . . . A 505 VAL HG22 . 18467 1 30 . 1 1 6 6 VAL HG23 H 1 0.709 0.007 . 2 . . . A 505 VAL HG23 . 18467 1 31 . 1 1 6 6 VAL C C 13 177.264 0.000 . 1 . . . A 505 VAL C . 18467 1 32 . 1 1 6 6 VAL CA C 13 67.200 0.090 . 1 . . . A 505 VAL CA . 18467 1 33 . 1 1 6 6 VAL CB C 13 31.657 0.063 . 1 . . . A 505 VAL CB . 18467 1 34 . 1 1 6 6 VAL CG2 C 13 22.316 0.082 . 2 . . . A 505 VAL CG2 . 18467 1 35 . 1 1 6 6 VAL N N 15 118.212 0.047 . 1 . . . A 505 VAL N . 18467 1 36 . 1 1 7 7 MET H H 1 6.975 0.003 . 1 . . . A 506 MET H . 18467 1 37 . 1 1 7 7 MET HA H 1 4.361 0.007 . 1 . . . A 506 MET HA . 18467 1 38 . 1 1 7 7 MET HB2 H 1 1.642 0.002 . 2 . . . A 506 MET HB2 . 18467 1 39 . 1 1 7 7 MET HB3 H 1 1.886 0.004 . 2 . . . A 506 MET HB3 . 18467 1 40 . 1 1 7 7 MET HG2 H 1 2.335 0.007 . 2 . . . A 506 MET HG2 . 18467 1 41 . 1 1 7 7 MET HG3 H 1 2.505 0.002 . 2 . . . A 506 MET HG3 . 18467 1 42 . 1 1 7 7 MET HE1 H 1 2.000 0.001 . 1 . . . A 506 MET HE1 . 18467 1 43 . 1 1 7 7 MET HE2 H 1 2.000 0.001 . 1 . . . A 506 MET HE2 . 18467 1 44 . 1 1 7 7 MET HE3 H 1 2.000 0.001 . 1 . . . A 506 MET HE3 . 18467 1 45 . 1 1 7 7 MET C C 13 178.097 0.000 . 1 . . . A 506 MET C . 18467 1 46 . 1 1 7 7 MET CA C 13 56.075 0.011 . 1 . . . A 506 MET CA . 18467 1 47 . 1 1 7 7 MET CB C 13 30.910 0.000 . 1 . . . A 506 MET CB . 18467 1 48 . 1 1 7 7 MET CE C 13 16.545 0.028 . 1 . . . A 506 MET CE . 18467 1 49 . 1 1 7 7 MET N N 15 114.107 0.064 . 1 . . . A 506 MET N . 18467 1 50 . 1 1 8 8 ASP H H 1 7.430 0.003 . 1 . . . A 507 ASP H . 18467 1 51 . 1 1 8 8 ASP HA H 1 4.255 0.005 . 1 . . . A 507 ASP HA . 18467 1 52 . 1 1 8 8 ASP HB2 H 1 2.676 0.004 . 2 . . . A 507 ASP HB2 . 18467 1 53 . 1 1 8 8 ASP HB3 H 1 3.024 0.006 . 2 . . . A 507 ASP HB3 . 18467 1 54 . 1 1 8 8 ASP C C 13 179.824 0.000 . 1 . . . A 507 ASP C . 18467 1 55 . 1 1 8 8 ASP CA C 13 58.088 0.053 . 1 . . . A 507 ASP CA . 18467 1 56 . 1 1 8 8 ASP CB C 13 40.526 0.064 . 1 . . . A 507 ASP CB . 18467 1 57 . 1 1 8 8 ASP N N 15 120.374 0.062 . 1 . . . A 507 ASP N . 18467 1 58 . 1 1 9 9 VAL H H 1 8.174 0.004 . 1 . . . A 508 VAL H . 18467 1 59 . 1 1 9 9 VAL HA H 1 3.567 0.004 . 1 . . . A 508 VAL HA . 18467 1 60 . 1 1 9 9 VAL HB H 1 2.191 0.007 . 1 . . . A 508 VAL HB . 18467 1 61 . 1 1 9 9 VAL HG11 H 1 0.768 0.004 . 2 . . . A 508 VAL HG11 . 18467 1 62 . 1 1 9 9 VAL HG12 H 1 0.768 0.004 . 2 . . . A 508 VAL HG12 . 18467 1 63 . 1 1 9 9 VAL HG13 H 1 0.768 0.004 . 2 . . . A 508 VAL HG13 . 18467 1 64 . 1 1 9 9 VAL HG21 H 1 0.940 0.005 . 2 . . . A 508 VAL HG21 . 18467 1 65 . 1 1 9 9 VAL HG22 H 1 0.940 0.005 . 2 . . . A 508 VAL HG22 . 18467 1 66 . 1 1 9 9 VAL HG23 H 1 0.940 0.005 . 2 . . . A 508 VAL HG23 . 18467 1 67 . 1 1 9 9 VAL C C 13 179.115 0.000 . 1 . . . A 508 VAL C . 18467 1 68 . 1 1 9 9 VAL CA C 13 66.131 0.018 . 1 . . . A 508 VAL CA . 18467 1 69 . 1 1 9 9 VAL CB C 13 31.666 0.022 . 1 . . . A 508 VAL CB . 18467 1 70 . 1 1 9 9 VAL CG1 C 13 21.055 0.040 . 2 . . . A 508 VAL CG1 . 18467 1 71 . 1 1 9 9 VAL CG2 C 13 22.542 0.078 . 2 . . . A 508 VAL CG2 . 18467 1 72 . 1 1 9 9 VAL N N 15 121.326 0.063 . 1 . . . A 508 VAL N . 18467 1 73 . 1 1 10 10 LEU H H 1 7.896 0.003 . 1 . . . A 509 LEU H . 18467 1 74 . 1 1 10 10 LEU HA H 1 4.039 0.008 . 1 . . . A 509 LEU HA . 18467 1 75 . 1 1 10 10 LEU HB2 H 1 1.756 0.010 . 2 . . . A 509 LEU HB2 . 18467 1 76 . 1 1 10 10 LEU HB3 H 1 1.086 0.006 . 2 . . . A 509 LEU HB3 . 18467 1 77 . 1 1 10 10 LEU HG H 1 1.905 0.007 . 1 . . . A 509 LEU HG . 18467 1 78 . 1 1 10 10 LEU HD11 H 1 0.524 0.005 . 2 . . . A 509 LEU HD11 . 18467 1 79 . 1 1 10 10 LEU HD12 H 1 0.524 0.005 . 2 . . . A 509 LEU HD12 . 18467 1 80 . 1 1 10 10 LEU HD13 H 1 0.524 0.005 . 2 . . . A 509 LEU HD13 . 18467 1 81 . 1 1 10 10 LEU HD21 H 1 -0.055 0.003 . 2 . . . A 509 LEU HD21 . 18467 1 82 . 1 1 10 10 LEU HD22 H 1 -0.055 0.003 . 2 . . . A 509 LEU HD22 . 18467 1 83 . 1 1 10 10 LEU HD23 H 1 -0.055 0.003 . 2 . . . A 509 LEU HD23 . 18467 1 84 . 1 1 10 10 LEU C C 13 179.091 0.000 . 1 . . . A 509 LEU C . 18467 1 85 . 1 1 10 10 LEU CA C 13 57.372 0.036 . 1 . . . A 509 LEU CA . 18467 1 86 . 1 1 10 10 LEU CB C 13 41.839 0.062 . 1 . . . A 509 LEU CB . 18467 1 87 . 1 1 10 10 LEU CG C 13 25.556 0.088 . 1 . . . A 509 LEU CG . 18467 1 88 . 1 1 10 10 LEU CD1 C 13 25.819 0.083 . 2 . . . A 509 LEU CD1 . 18467 1 89 . 1 1 10 10 LEU CD2 C 13 21.742 0.071 . 2 . . . A 509 LEU CD2 . 18467 1 90 . 1 1 10 10 LEU N N 15 117.258 0.062 . 1 . . . A 509 LEU N . 18467 1 91 . 1 1 11 11 LYS H H 1 8.377 0.005 . 1 . . . A 510 LYS H . 18467 1 92 . 1 1 11 11 LYS HA H 1 3.959 0.004 . 1 . . . A 510 LYS HA . 18467 1 93 . 1 1 11 11 LYS C C 13 178.021 0.000 . 1 . . . A 510 LYS C . 18467 1 94 . 1 1 11 11 LYS CA C 13 59.047 0.058 . 1 . . . A 510 LYS CA . 18467 1 95 . 1 1 11 11 LYS CB C 13 32.771 0.000 . 1 . . . A 510 LYS CB . 18467 1 96 . 1 1 11 11 LYS N N 15 114.824 0.062 . 1 . . . A 510 LYS N . 18467 1 97 . 1 1 12 12 GLY H H 1 7.590 0.002 . 1 . . . A 511 GLY H . 18467 1 98 . 1 1 12 12 GLY HA2 H 1 4.186 0.002 . 2 . . . A 511 GLY HA2 . 18467 1 99 . 1 1 12 12 GLY HA3 H 1 3.720 0.003 . 2 . . . A 511 GLY HA3 . 18467 1 100 . 1 1 12 12 GLY C C 13 172.564 0.000 . 1 . . . A 511 GLY C . 18467 1 101 . 1 1 12 12 GLY CA C 13 45.442 0.045 . 1 . . . A 511 GLY CA . 18467 1 102 . 1 1 12 12 GLY N N 15 104.574 0.061 . 1 . . . A 511 GLY N . 18467 1 103 . 1 1 13 13 ASP H H 1 7.074 0.003 . 1 . . . A 512 ASP H . 18467 1 104 . 1 1 13 13 ASP HA H 1 4.992 0.007 . 1 . . . A 512 ASP HA . 18467 1 105 . 1 1 13 13 ASP HB2 H 1 2.655 0.005 . 2 . . . A 512 ASP HB2 . 18467 1 106 . 1 1 13 13 ASP HB3 H 1 3.288 0.004 . 2 . . . A 512 ASP HB3 . 18467 1 107 . 1 1 13 13 ASP CA C 13 52.469 0.033 . 1 . . . A 512 ASP CA . 18467 1 108 . 1 1 13 13 ASP CB C 13 43.985 0.026 . 1 . . . A 512 ASP CB . 18467 1 109 . 1 1 13 13 ASP N N 15 120.194 0.064 . 1 . . . A 512 ASP N . 18467 1 110 . 1 1 14 14 ASN HA H 1 4.447 0.003 . 1 . . . A 513 ASN HA . 18467 1 111 . 1 1 14 14 ASN HB2 H 1 2.951 0.000 . 2 . . . A 513 ASN HB2 . 18467 1 112 . 1 1 14 14 ASN HB3 H 1 2.904 0.001 . 2 . . . A 513 ASN HB3 . 18467 1 113 . 1 1 14 14 ASN C C 13 176.709 0.000 . 1 . . . A 513 ASN C . 18467 1 114 . 1 1 14 14 ASN CA C 13 55.819 0.019 . 1 . . . A 513 ASN CA . 18467 1 115 . 1 1 14 14 ASN CB C 13 38.100 0.041 . 1 . . . A 513 ASN CB . 18467 1 116 . 1 1 15 15 ARG H H 1 8.573 0.006 . 1 . . . A 514 ARG H . 18467 1 117 . 1 1 15 15 ARG HA H 1 4.139 0.009 . 1 . . . A 514 ARG HA . 18467 1 118 . 1 1 15 15 ARG C C 13 176.109 0.000 . 1 . . . A 514 ARG C . 18467 1 119 . 1 1 15 15 ARG CA C 13 58.061 0.014 . 1 . . . A 514 ARG CA . 18467 1 120 . 1 1 15 15 ARG CB C 13 30.691 0.000 . 1 . . . A 514 ARG CB . 18467 1 121 . 1 1 15 15 ARG N N 15 118.980 0.057 . 1 . . . A 514 ARG N . 18467 1 122 . 1 1 16 16 PHE H H 1 7.592 0.003 . 1 . . . A 515 PHE H . 18467 1 123 . 1 1 16 16 PHE HA H 1 5.793 0.007 . 1 . . . A 515 PHE HA . 18467 1 124 . 1 1 16 16 PHE HB2 H 1 3.568 0.006 . 2 . . . A 515 PHE HB2 . 18467 1 125 . 1 1 16 16 PHE HB3 H 1 3.470 0.007 . 2 . . . A 515 PHE HB3 . 18467 1 126 . 1 1 16 16 PHE HD1 H 1 7.434 0.007 . 3 . . . A 515 PHE HD1 . 18467 1 127 . 1 1 16 16 PHE HD2 H 1 7.434 0.007 . 3 . . . A 515 PHE HD2 . 18467 1 128 . 1 1 16 16 PHE HE1 H 1 7.128 0.009 . 3 . . . A 515 PHE HE1 . 18467 1 129 . 1 1 16 16 PHE HE2 H 1 7.128 0.009 . 3 . . . A 515 PHE HE2 . 18467 1 130 . 1 1 16 16 PHE C C 13 176.420 0.000 . 1 . . . A 515 PHE C . 18467 1 131 . 1 1 16 16 PHE CA C 13 55.966 0.082 . 1 . . . A 515 PHE CA . 18467 1 132 . 1 1 16 16 PHE CB C 13 38.644 0.070 . 1 . . . A 515 PHE CB . 18467 1 133 . 1 1 16 16 PHE CD2 C 13 131.971 0.000 . 3 . . . A 515 PHE CD2 . 18467 1 134 . 1 1 16 16 PHE CE2 C 13 130.756 0.000 . 3 . . . A 515 PHE CE2 . 18467 1 135 . 1 1 16 16 PHE N N 15 113.150 0.079 . 1 . . . A 515 PHE N . 18467 1 136 . 1 1 17 17 SER H H 1 7.527 0.003 . 1 . . . A 516 SER H . 18467 1 137 . 1 1 17 17 SER HA H 1 4.062 0.007 . 1 . . . A 516 SER HA . 18467 1 138 . 1 1 17 17 SER HB2 H 1 3.998 0.000 . 2 . . . A 516 SER HB2 . 18467 1 139 . 1 1 17 17 SER HB3 H 1 3.998 0.000 . 2 . . . A 516 SER HB3 . 18467 1 140 . 1 1 17 17 SER C C 13 178.631 0.000 . 1 . . . A 516 SER C . 18467 1 141 . 1 1 17 17 SER CA C 13 62.695 0.000 . 1 . . . A 516 SER CA . 18467 1 142 . 1 1 17 17 SER CB C 13 62.147 0.000 . 1 . . . A 516 SER CB . 18467 1 143 . 1 1 17 17 SER N N 15 116.649 0.062 . 1 . . . A 516 SER N . 18467 1 144 . 1 1 18 18 MET H H 1 9.271 0.003 . 1 . . . A 517 MET H . 18467 1 145 . 1 1 18 18 MET HA H 1 4.122 0.004 . 1 . . . A 517 MET HA . 18467 1 146 . 1 1 18 18 MET HE1 H 1 1.379 0.008 . 1 . . . A 517 MET HE1 . 18467 1 147 . 1 1 18 18 MET HE2 H 1 1.379 0.008 . 1 . . . A 517 MET HE2 . 18467 1 148 . 1 1 18 18 MET HE3 H 1 1.379 0.008 . 1 . . . A 517 MET HE3 . 18467 1 149 . 1 1 18 18 MET C C 13 177.503 0.000 . 1 . . . A 517 MET C . 18467 1 150 . 1 1 18 18 MET CA C 13 59.707 0.081 . 1 . . . A 517 MET CA . 18467 1 151 . 1 1 18 18 MET CB C 13 32.304 0.000 . 1 . . . A 517 MET CB . 18467 1 152 . 1 1 18 18 MET CE C 13 16.966 0.070 . 1 . . . A 517 MET CE . 18467 1 153 . 1 1 18 18 MET N N 15 124.591 0.052 . 1 . . . A 517 MET N . 18467 1 154 . 1 1 19 19 LEU H H 1 8.587 0.003 . 1 . . . A 518 LEU H . 18467 1 155 . 1 1 19 19 LEU HA H 1 3.893 0.004 . 1 . . . A 518 LEU HA . 18467 1 156 . 1 1 19 19 LEU HB2 H 1 2.366 0.007 . 2 . . . A 518 LEU HB2 . 18467 1 157 . 1 1 19 19 LEU HB3 H 1 2.095 0.006 . 2 . . . A 518 LEU HB3 . 18467 1 158 . 1 1 19 19 LEU HG H 1 1.590 0.005 . 1 . . . A 518 LEU HG . 18467 1 159 . 1 1 19 19 LEU HD11 H 1 1.029 0.003 . 2 . . . A 518 LEU HD11 . 18467 1 160 . 1 1 19 19 LEU HD12 H 1 1.029 0.003 . 2 . . . A 518 LEU HD12 . 18467 1 161 . 1 1 19 19 LEU HD13 H 1 1.029 0.003 . 2 . . . A 518 LEU HD13 . 18467 1 162 . 1 1 19 19 LEU HD21 H 1 0.991 0.008 . 2 . . . A 518 LEU HD21 . 18467 1 163 . 1 1 19 19 LEU HD22 H 1 0.991 0.008 . 2 . . . A 518 LEU HD22 . 18467 1 164 . 1 1 19 19 LEU HD23 H 1 0.991 0.008 . 2 . . . A 518 LEU HD23 . 18467 1 165 . 1 1 19 19 LEU C C 13 178.414 0.000 . 1 . . . A 518 LEU C . 18467 1 166 . 1 1 19 19 LEU CA C 13 58.118 0.045 . 1 . . . A 518 LEU CA . 18467 1 167 . 1 1 19 19 LEU CB C 13 41.221 0.000 . 1 . . . A 518 LEU CB . 18467 1 168 . 1 1 19 19 LEU CG C 13 27.003 0.000 . 1 . . . A 518 LEU CG . 18467 1 169 . 1 1 19 19 LEU CD1 C 13 23.142 0.096 . 2 . . . A 518 LEU CD1 . 18467 1 170 . 1 1 19 19 LEU CD2 C 13 28.368 0.093 . 2 . . . A 518 LEU CD2 . 18467 1 171 . 1 1 19 19 LEU N N 15 123.039 0.090 . 1 . . . A 518 LEU N . 18467 1 172 . 1 1 20 20 VAL H H 1 9.070 0.003 . 1 . . . A 519 VAL H . 18467 1 173 . 1 1 20 20 VAL HA H 1 3.322 0.011 . 1 . . . A 519 VAL HA . 18467 1 174 . 1 1 20 20 VAL HB H 1 2.093 0.003 . 1 . . . A 519 VAL HB . 18467 1 175 . 1 1 20 20 VAL HG11 H 1 0.897 0.005 . 2 . . . A 519 VAL HG11 . 18467 1 176 . 1 1 20 20 VAL HG12 H 1 0.897 0.005 . 2 . . . A 519 VAL HG12 . 18467 1 177 . 1 1 20 20 VAL HG13 H 1 0.897 0.005 . 2 . . . A 519 VAL HG13 . 18467 1 178 . 1 1 20 20 VAL HG21 H 1 0.841 0.004 . 2 . . . A 519 VAL HG21 . 18467 1 179 . 1 1 20 20 VAL HG22 H 1 0.841 0.004 . 2 . . . A 519 VAL HG22 . 18467 1 180 . 1 1 20 20 VAL HG23 H 1 0.841 0.004 . 2 . . . A 519 VAL HG23 . 18467 1 181 . 1 1 20 20 VAL C C 13 178.032 0.000 . 1 . . . A 519 VAL C . 18467 1 182 . 1 1 20 20 VAL CA C 13 67.874 0.033 . 1 . . . A 519 VAL CA . 18467 1 183 . 1 1 20 20 VAL CB C 13 31.600 0.014 . 1 . . . A 519 VAL CB . 18467 1 184 . 1 1 20 20 VAL CG1 C 13 25.022 0.053 . 2 . . . A 519 VAL CG1 . 18467 1 185 . 1 1 20 20 VAL CG2 C 13 21.540 0.000 . 2 . . . A 519 VAL CG2 . 18467 1 186 . 1 1 20 20 VAL N N 15 118.518 0.041 . 1 . . . A 519 VAL N . 18467 1 187 . 1 1 21 21 ALA H H 1 7.594 0.003 . 1 . . . A 520 ALA H . 18467 1 188 . 1 1 21 21 ALA HA H 1 4.165 0.008 . 1 . . . A 520 ALA HA . 18467 1 189 . 1 1 21 21 ALA HB1 H 1 1.570 0.004 . 1 . . . A 520 ALA HB1 . 18467 1 190 . 1 1 21 21 ALA HB2 H 1 1.570 0.004 . 1 . . . A 520 ALA HB2 . 18467 1 191 . 1 1 21 21 ALA HB3 H 1 1.570 0.004 . 1 . . . A 520 ALA HB3 . 18467 1 192 . 1 1 21 21 ALA C C 13 180.604 0.000 . 1 . . . A 520 ALA C . 18467 1 193 . 1 1 21 21 ALA CA C 13 55.125 0.043 . 1 . . . A 520 ALA CA . 18467 1 194 . 1 1 21 21 ALA CB C 13 17.702 0.035 . 1 . . . A 520 ALA CB . 18467 1 195 . 1 1 21 21 ALA N N 15 122.534 0.069 . 1 . . . A 520 ALA N . 18467 1 196 . 1 1 22 22 ALA H H 1 8.549 0.004 . 1 . . . A 521 ALA H . 18467 1 197 . 1 1 22 22 ALA HA H 1 3.945 0.007 . 1 . . . A 521 ALA HA . 18467 1 198 . 1 1 22 22 ALA HB1 H 1 1.555 0.005 . 1 . . . A 521 ALA HB1 . 18467 1 199 . 1 1 22 22 ALA HB2 H 1 1.555 0.005 . 1 . . . A 521 ALA HB2 . 18467 1 200 . 1 1 22 22 ALA HB3 H 1 1.555 0.005 . 1 . . . A 521 ALA HB3 . 18467 1 201 . 1 1 22 22 ALA C C 13 178.468 0.000 . 1 . . . A 521 ALA C . 18467 1 202 . 1 1 22 22 ALA CA C 13 54.905 0.019 . 1 . . . A 521 ALA CA . 18467 1 203 . 1 1 22 22 ALA CB C 13 17.956 0.090 . 1 . . . A 521 ALA CB . 18467 1 204 . 1 1 22 22 ALA N N 15 123.185 0.043 . 1 . . . A 521 ALA N . 18467 1 205 . 1 1 23 23 ILE H H 1 8.963 0.003 . 1 . . . A 522 ILE H . 18467 1 206 . 1 1 23 23 ILE HA H 1 3.275 0.007 . 1 . . . A 522 ILE HA . 18467 1 207 . 1 1 23 23 ILE HB H 1 1.935 0.004 . 1 . . . A 522 ILE HB . 18467 1 208 . 1 1 23 23 ILE HG12 H 1 1.871 0.007 . 2 . . . A 522 ILE HG12 . 18467 1 209 . 1 1 23 23 ILE HG13 H 1 0.676 0.005 . 2 . . . A 522 ILE HG13 . 18467 1 210 . 1 1 23 23 ILE HG21 H 1 0.794 0.016 . 1 . . . A 522 ILE HG21 . 18467 1 211 . 1 1 23 23 ILE HG22 H 1 0.794 0.016 . 1 . . . A 522 ILE HG22 . 18467 1 212 . 1 1 23 23 ILE HG23 H 1 0.794 0.016 . 1 . . . A 522 ILE HG23 . 18467 1 213 . 1 1 23 23 ILE HD11 H 1 0.594 0.006 . 1 . . . A 522 ILE HD11 . 18467 1 214 . 1 1 23 23 ILE HD12 H 1 0.594 0.006 . 1 . . . A 522 ILE HD12 . 18467 1 215 . 1 1 23 23 ILE HD13 H 1 0.594 0.006 . 1 . . . A 522 ILE HD13 . 18467 1 216 . 1 1 23 23 ILE C C 13 178.024 0.000 . 1 . . . A 522 ILE C . 18467 1 217 . 1 1 23 23 ILE CA C 13 66.015 0.034 . 1 . . . A 522 ILE CA . 18467 1 218 . 1 1 23 23 ILE CB C 13 38.407 0.044 . 1 . . . A 522 ILE CB . 18467 1 219 . 1 1 23 23 ILE CG1 C 13 31.469 0.063 . 1 . . . A 522 ILE CG1 . 18467 1 220 . 1 1 23 23 ILE CD1 C 13 14.440 0.039 . 1 . . . A 522 ILE CD1 . 18467 1 221 . 1 1 23 23 ILE N N 15 120.269 0.038 . 1 . . . A 522 ILE N . 18467 1 222 . 1 1 24 24 GLN H H 1 7.976 0.005 . 1 . . . A 523 GLN H . 18467 1 223 . 1 1 24 24 GLN HA H 1 4.169 0.000 . 1 . . . A 523 GLN HA . 18467 1 224 . 1 1 24 24 GLN HB2 H 1 2.257 0.010 . 2 . . . A 523 GLN HB2 . 18467 1 225 . 1 1 24 24 GLN HB3 H 1 2.120 0.008 . 2 . . . A 523 GLN HB3 . 18467 1 226 . 1 1 24 24 GLN HG2 H 1 2.401 0.005 . 2 . . . A 523 GLN HG2 . 18467 1 227 . 1 1 24 24 GLN HG3 H 1 2.401 0.005 . 2 . . . A 523 GLN HG3 . 18467 1 228 . 1 1 24 24 GLN HE21 H 1 7.419 0.002 . 2 . . . A 523 GLN HE21 . 18467 1 229 . 1 1 24 24 GLN HE22 H 1 6.895 0.002 . 2 . . . A 523 GLN HE22 . 18467 1 230 . 1 1 24 24 GLN C C 13 180.200 0.000 . 1 . . . A 523 GLN C . 18467 1 231 . 1 1 24 24 GLN CA C 13 58.567 0.000 . 1 . . . A 523 GLN CA . 18467 1 232 . 1 1 24 24 GLN CB C 13 27.611 0.139 . 1 . . . A 523 GLN CB . 18467 1 233 . 1 1 24 24 GLN CG C 13 33.376 0.071 . 1 . . . A 523 GLN CG . 18467 1 234 . 1 1 24 24 GLN N N 15 118.677 0.071 . 1 . . . A 523 GLN N . 18467 1 235 . 1 1 24 24 GLN NE2 N 15 111.989 0.017 . 1 . . . A 523 GLN NE2 . 18467 1 236 . 1 1 25 25 SER H H 1 8.311 0.005 . 1 . . . A 524 SER H . 18467 1 237 . 1 1 25 25 SER HB2 H 1 3.910 0.001 . 2 . . . A 524 SER HB2 . 18467 1 238 . 1 1 25 25 SER HB3 H 1 3.910 0.001 . 2 . . . A 524 SER HB3 . 18467 1 239 . 1 1 25 25 SER C C 13 175.679 0.000 . 1 . . . A 524 SER C . 18467 1 240 . 1 1 25 25 SER CA C 13 62.046 0.015 . 1 . . . A 524 SER CA . 18467 1 241 . 1 1 25 25 SER CB C 13 63.015 0.000 . 1 . . . A 524 SER CB . 18467 1 242 . 1 1 25 25 SER N N 15 117.810 0.081 . 1 . . . A 524 SER N . 18467 1 243 . 1 1 26 26 ALA H H 1 8.322 0.004 . 1 . . . A 525 ALA H . 18467 1 244 . 1 1 26 26 ALA HA H 1 4.307 0.005 . 1 . . . A 525 ALA HA . 18467 1 245 . 1 1 26 26 ALA HB1 H 1 1.353 0.005 . 1 . . . A 525 ALA HB1 . 18467 1 246 . 1 1 26 26 ALA HB2 H 1 1.353 0.005 . 1 . . . A 525 ALA HB2 . 18467 1 247 . 1 1 26 26 ALA HB3 H 1 1.353 0.005 . 1 . . . A 525 ALA HB3 . 18467 1 248 . 1 1 26 26 ALA C C 13 176.838 0.000 . 1 . . . A 525 ALA C . 18467 1 249 . 1 1 26 26 ALA CA C 13 52.205 0.016 . 1 . . . A 525 ALA CA . 18467 1 250 . 1 1 26 26 ALA CB C 13 19.912 0.028 . 1 . . . A 525 ALA CB . 18467 1 251 . 1 1 26 26 ALA N N 15 119.017 0.083 . 1 . . . A 525 ALA N . 18467 1 252 . 1 1 27 27 GLY H H 1 7.749 0.002 . 1 . . . A 526 GLY H . 18467 1 253 . 1 1 27 27 GLY HA2 H 1 4.130 0.006 . 2 . . . A 526 GLY HA2 . 18467 1 254 . 1 1 27 27 GLY HA3 H 1 4.130 0.006 . 2 . . . A 526 GLY HA3 . 18467 1 255 . 1 1 27 27 GLY C C 13 176.606 0.000 . 1 . . . A 526 GLY C . 18467 1 256 . 1 1 27 27 GLY CA C 13 46.361 0.023 . 1 . . . A 526 GLY CA . 18467 1 257 . 1 1 27 27 GLY N N 15 105.650 0.075 . 1 . . . A 526 GLY N . 18467 1 258 . 1 1 28 28 LEU H H 1 8.100 0.006 . 1 . . . A 527 LEU H . 18467 1 259 . 1 1 28 28 LEU HA H 1 4.452 0.004 . 1 . . . A 527 LEU HA . 18467 1 260 . 1 1 28 28 LEU HB2 H 1 1.525 0.008 . 2 . . . A 527 LEU HB2 . 18467 1 261 . 1 1 28 28 LEU HB3 H 1 1.525 0.008 . 2 . . . A 527 LEU HB3 . 18467 1 262 . 1 1 28 28 LEU HD11 H 1 0.820 0.005 . 2 . . . A 527 LEU HD11 . 18467 1 263 . 1 1 28 28 LEU HD12 H 1 0.820 0.005 . 2 . . . A 527 LEU HD12 . 18467 1 264 . 1 1 28 28 LEU HD13 H 1 0.820 0.005 . 2 . . . A 527 LEU HD13 . 18467 1 265 . 1 1 28 28 LEU HD21 H 1 0.820 0.005 . 2 . . . A 527 LEU HD21 . 18467 1 266 . 1 1 28 28 LEU HD22 H 1 0.820 0.005 . 2 . . . A 527 LEU HD22 . 18467 1 267 . 1 1 28 28 LEU HD23 H 1 0.820 0.005 . 2 . . . A 527 LEU HD23 . 18467 1 268 . 1 1 28 28 LEU C C 13 175.786 0.000 . 1 . . . A 527 LEU C . 18467 1 269 . 1 1 28 28 LEU CA C 13 54.774 0.075 . 1 . . . A 527 LEU CA . 18467 1 270 . 1 1 28 28 LEU CB C 13 45.162 0.000 . 1 . . . A 527 LEU CB . 18467 1 271 . 1 1 28 28 LEU N N 15 118.441 0.060 . 1 . . . A 527 LEU N . 18467 1 272 . 1 1 29 29 THR H H 1 7.584 0.006 . 1 . . . A 528 THR H . 18467 1 273 . 1 1 29 29 THR HA H 1 3.539 0.006 . 1 . . . A 528 THR HA . 18467 1 274 . 1 1 29 29 THR HB H 1 4.000 0.003 . 1 . . . A 528 THR HB . 18467 1 275 . 1 1 29 29 THR HG1 H 1 4.764 0.001 . 1 . . . A 528 THR HG1 . 18467 1 276 . 1 1 29 29 THR HG21 H 1 1.128 0.005 . 1 . . . A 528 THR HG21 . 18467 1 277 . 1 1 29 29 THR HG22 H 1 1.128 0.005 . 1 . . . A 528 THR HG22 . 18467 1 278 . 1 1 29 29 THR HG23 H 1 1.128 0.005 . 1 . . . A 528 THR HG23 . 18467 1 279 . 1 1 29 29 THR C C 13 175.468 0.000 . 1 . . . A 528 THR C . 18467 1 280 . 1 1 29 29 THR CA C 13 66.819 0.022 . 1 . . . A 528 THR CA . 18467 1 281 . 1 1 29 29 THR CB C 13 68.696 0.079 . 1 . . . A 528 THR CB . 18467 1 282 . 1 1 29 29 THR CG2 C 13 22.478 0.076 . 1 . . . A 528 THR CG2 . 18467 1 283 . 1 1 29 29 THR N N 15 117.975 0.079 . 1 . . . A 528 THR N . 18467 1 284 . 1 1 30 30 GLU H H 1 8.304 0.005 . 1 . . . A 529 GLU H . 18467 1 285 . 1 1 30 30 GLU HA H 1 3.986 0.003 . 1 . . . A 529 GLU HA . 18467 1 286 . 1 1 30 30 GLU C C 13 179.348 0.000 . 1 . . . A 529 GLU C . 18467 1 287 . 1 1 30 30 GLU CA C 13 59.738 0.009 . 1 . . . A 529 GLU CA . 18467 1 288 . 1 1 30 30 GLU CB C 13 28.596 0.000 . 1 . . . A 529 GLU CB . 18467 1 289 . 1 1 30 30 GLU N N 15 117.727 0.045 . 1 . . . A 529 GLU N . 18467 1 290 . 1 1 31 31 THR H H 1 7.698 0.004 . 1 . . . A 530 THR H . 18467 1 291 . 1 1 31 31 THR HA H 1 3.758 0.006 . 1 . . . A 530 THR HA . 18467 1 292 . 1 1 31 31 THR HB H 1 4.074 0.002 . 1 . . . A 530 THR HB . 18467 1 293 . 1 1 31 31 THR HG1 H 1 4.764 0.000 . 1 . . . A 530 THR HG1 . 18467 1 294 . 1 1 31 31 THR HG21 H 1 0.982 0.008 . 1 . . . A 530 THR HG21 . 18467 1 295 . 1 1 31 31 THR HG22 H 1 0.982 0.008 . 1 . . . A 530 THR HG22 . 18467 1 296 . 1 1 31 31 THR HG23 H 1 0.982 0.008 . 1 . . . A 530 THR HG23 . 18467 1 297 . 1 1 31 31 THR C C 13 175.858 0.000 . 1 . . . A 530 THR C . 18467 1 298 . 1 1 31 31 THR CA C 13 67.207 0.000 . 1 . . . A 530 THR CA . 18467 1 299 . 1 1 31 31 THR CB C 13 69.145 0.000 . 1 . . . A 530 THR CB . 18467 1 300 . 1 1 31 31 THR CG2 C 13 20.329 0.075 . 1 . . . A 530 THR CG2 . 18467 1 301 . 1 1 31 31 THR N N 15 116.063 0.043 . 1 . . . A 530 THR N . 18467 1 302 . 1 1 32 32 LEU H H 1 7.108 0.003 . 1 . . . A 531 LEU H . 18467 1 303 . 1 1 32 32 LEU HA H 1 3.921 0.006 . 1 . . . A 531 LEU HA . 18467 1 304 . 1 1 32 32 LEU HB2 H 1 1.587 0.007 . 2 . . . A 531 LEU HB2 . 18467 1 305 . 1 1 32 32 LEU HB3 H 1 1.181 0.011 . 2 . . . A 531 LEU HB3 . 18467 1 306 . 1 1 32 32 LEU HG H 1 1.362 0.004 . 1 . . . A 531 LEU HG . 18467 1 307 . 1 1 32 32 LEU HD11 H 1 0.625 0.008 . 2 . . . A 531 LEU HD11 . 18467 1 308 . 1 1 32 32 LEU HD12 H 1 0.625 0.008 . 2 . . . A 531 LEU HD12 . 18467 1 309 . 1 1 32 32 LEU HD13 H 1 0.625 0.008 . 2 . . . A 531 LEU HD13 . 18467 1 310 . 1 1 32 32 LEU HD21 H 1 0.142 0.005 . 2 . . . A 531 LEU HD21 . 18467 1 311 . 1 1 32 32 LEU HD22 H 1 0.142 0.005 . 2 . . . A 531 LEU HD22 . 18467 1 312 . 1 1 32 32 LEU HD23 H 1 0.142 0.005 . 2 . . . A 531 LEU HD23 . 18467 1 313 . 1 1 32 32 LEU C C 13 176.163 0.000 . 1 . . . A 531 LEU C . 18467 1 314 . 1 1 32 32 LEU CA C 13 55.681 0.127 . 1 . . . A 531 LEU CA . 18467 1 315 . 1 1 32 32 LEU CB C 13 41.417 0.093 . 1 . . . A 531 LEU CB . 18467 1 316 . 1 1 32 32 LEU CG C 13 27.018 0.107 . 1 . . . A 531 LEU CG . 18467 1 317 . 1 1 32 32 LEU CD1 C 13 25.145 0.032 . 2 . . . A 531 LEU CD1 . 18467 1 318 . 1 1 32 32 LEU CD2 C 13 21.081 0.046 . 2 . . . A 531 LEU CD2 . 18467 1 319 . 1 1 32 32 LEU N N 15 116.755 0.039 . 1 . . . A 531 LEU N . 18467 1 320 . 1 1 33 33 ASN H H 1 7.751 0.004 . 1 . . . A 532 ASN H . 18467 1 321 . 1 1 33 33 ASN HA H 1 4.973 0.005 . 1 . . . A 532 ASN HA . 18467 1 322 . 1 1 33 33 ASN HB2 H 1 2.542 0.008 . 2 . . . A 532 ASN HB2 . 18467 1 323 . 1 1 33 33 ASN HB3 H 1 2.820 0.007 . 2 . . . A 532 ASN HB3 . 18467 1 324 . 1 1 33 33 ASN HD21 H 1 7.578 0.003 . 2 . . . A 532 ASN HD21 . 18467 1 325 . 1 1 33 33 ASN HD22 H 1 6.857 0.002 . 2 . . . A 532 ASN HD22 . 18467 1 326 . 1 1 33 33 ASN C C 13 174.820 0.000 . 1 . . . A 532 ASN C . 18467 1 327 . 1 1 33 33 ASN CA C 13 52.139 0.037 . 1 . . . A 532 ASN CA . 18467 1 328 . 1 1 33 33 ASN CB C 13 40.952 0.032 . 1 . . . A 532 ASN CB . 18467 1 329 . 1 1 33 33 ASN N N 15 118.731 0.056 . 1 . . . A 532 ASN N . 18467 1 330 . 1 1 34 34 ARG H H 1 7.296 0.006 . 1 . . . A 533 ARG H . 18467 1 331 . 1 1 34 34 ARG HA H 1 4.531 0.002 . 1 . . . A 533 ARG HA . 18467 1 332 . 1 1 34 34 ARG C C 13 175.355 0.000 . 1 . . . A 533 ARG C . 18467 1 333 . 1 1 34 34 ARG CA C 13 55.591 0.003 . 1 . . . A 533 ARG CA . 18467 1 334 . 1 1 34 34 ARG CB C 13 32.007 0.000 . 1 . . . A 533 ARG CB . 18467 1 335 . 1 1 34 34 ARG N N 15 119.562 0.090 . 1 . . . A 533 ARG N . 18467 1 336 . 1 1 35 35 GLU H H 1 8.508 0.006 . 1 . . . A 534 GLU H . 18467 1 337 . 1 1 35 35 GLU HA H 1 4.238 0.002 . 1 . . . A 534 GLU HA . 18467 1 338 . 1 1 35 35 GLU HB2 H 1 2.023 0.011 . 2 . . . A 534 GLU HB2 . 18467 1 339 . 1 1 35 35 GLU HB3 H 1 2.023 0.011 . 2 . . . A 534 GLU HB3 . 18467 1 340 . 1 1 35 35 GLU HG2 H 1 2.343 0.001 . 2 . . . A 534 GLU HG2 . 18467 1 341 . 1 1 35 35 GLU HG3 H 1 2.343 0.001 . 2 . . . A 534 GLU HG3 . 18467 1 342 . 1 1 35 35 GLU C C 13 176.281 0.000 . 1 . . . A 534 GLU C . 18467 1 343 . 1 1 35 35 GLU CA C 13 57.698 0.019 . 1 . . . A 534 GLU CA . 18467 1 344 . 1 1 35 35 GLU CB C 13 29.807 0.000 . 1 . . . A 534 GLU CB . 18467 1 345 . 1 1 35 35 GLU CG C 13 36.120 0.000 . 1 . . . A 534 GLU CG . 18467 1 346 . 1 1 35 35 GLU N N 15 120.049 0.072 . 1 . . . A 534 GLU N . 18467 1 347 . 1 1 36 36 GLY H H 1 7.949 0.003 . 1 . . . A 535 GLY H . 18467 1 348 . 1 1 36 36 GLY HA2 H 1 3.857 0.010 . 2 . . . A 535 GLY HA2 . 18467 1 349 . 1 1 36 36 GLY HA3 H 1 3.857 0.010 . 2 . . . A 535 GLY HA3 . 18467 1 350 . 1 1 36 36 GLY C C 13 170.566 0.000 . 1 . . . A 535 GLY C . 18467 1 351 . 1 1 36 36 GLY CA C 13 44.853 0.058 . 1 . . . A 535 GLY CA . 18467 1 352 . 1 1 36 36 GLY N N 15 110.987 0.087 . 1 . . . A 535 GLY N . 18467 1 353 . 1 1 37 37 VAL H H 1 7.189 0.007 . 1 . . . A 536 VAL H . 18467 1 354 . 1 1 37 37 VAL HA H 1 4.126 0.004 . 1 . . . A 536 VAL HA . 18467 1 355 . 1 1 37 37 VAL HB H 1 1.838 0.006 . 1 . . . A 536 VAL HB . 18467 1 356 . 1 1 37 37 VAL HG11 H 1 0.724 0.005 . 2 . . . A 536 VAL HG11 . 18467 1 357 . 1 1 37 37 VAL HG12 H 1 0.724 0.005 . 2 . . . A 536 VAL HG12 . 18467 1 358 . 1 1 37 37 VAL HG13 H 1 0.724 0.005 . 2 . . . A 536 VAL HG13 . 18467 1 359 . 1 1 37 37 VAL HG21 H 1 0.764 0.004 . 2 . . . A 536 VAL HG21 . 18467 1 360 . 1 1 37 37 VAL HG22 H 1 0.764 0.004 . 2 . . . A 536 VAL HG22 . 18467 1 361 . 1 1 37 37 VAL HG23 H 1 0.764 0.004 . 2 . . . A 536 VAL HG23 . 18467 1 362 . 1 1 37 37 VAL C C 13 173.026 0.000 . 1 . . . A 536 VAL C . 18467 1 363 . 1 1 37 37 VAL CA C 13 59.318 0.073 . 1 . . . A 536 VAL CA . 18467 1 364 . 1 1 37 37 VAL CB C 13 33.633 0.129 . 1 . . . A 536 VAL CB . 18467 1 365 . 1 1 37 37 VAL CG1 C 13 23.187 0.032 . 2 . . . A 536 VAL CG1 . 18467 1 366 . 1 1 37 37 VAL CG2 C 13 18.925 0.044 . 2 . . . A 536 VAL CG2 . 18467 1 367 . 1 1 37 37 VAL N N 15 114.744 0.033 . 1 . . . A 536 VAL N . 18467 1 368 . 1 1 38 38 TYR H H 1 7.491 0.004 . 1 . . . A 537 TYR H . 18467 1 369 . 1 1 38 38 TYR HA H 1 5.187 0.007 . 1 . . . A 537 TYR HA . 18467 1 370 . 1 1 38 38 TYR HB2 H 1 2.903 0.007 . 2 . . . A 537 TYR HB2 . 18467 1 371 . 1 1 38 38 TYR HB3 H 1 2.413 0.005 . 2 . . . A 537 TYR HB3 . 18467 1 372 . 1 1 38 38 TYR HD1 H 1 7.108 0.005 . 3 . . . A 537 TYR HD1 . 18467 1 373 . 1 1 38 38 TYR HD2 H 1 7.108 0.005 . 3 . . . A 537 TYR HD2 . 18467 1 374 . 1 1 38 38 TYR HE1 H 1 6.734 0.003 . 3 . . . A 537 TYR HE1 . 18467 1 375 . 1 1 38 38 TYR HE2 H 1 6.734 0.003 . 3 . . . A 537 TYR HE2 . 18467 1 376 . 1 1 38 38 TYR C C 13 176.236 0.000 . 1 . . . A 537 TYR C . 18467 1 377 . 1 1 38 38 TYR CA C 13 56.755 0.071 . 1 . . . A 537 TYR CA . 18467 1 378 . 1 1 38 38 TYR CB C 13 42.471 0.075 . 1 . . . A 537 TYR CB . 18467 1 379 . 1 1 38 38 TYR CD1 C 13 133.454 0.201 . 1 . . . A 537 TYR CD1 . 18467 1 380 . 1 1 38 38 TYR CD2 C 13 133.454 0.201 . 1 . . . A 537 TYR CD2 . 18467 1 381 . 1 1 38 38 TYR CE1 C 13 117.549 0.073 . 1 . . . A 537 TYR CE1 . 18467 1 382 . 1 1 38 38 TYR CE2 C 13 117.549 0.073 . 1 . . . A 537 TYR CE2 . 18467 1 383 . 1 1 38 38 TYR N N 15 117.326 0.063 . 1 . . . A 537 TYR N . 18467 1 384 . 1 1 39 39 THR H H 1 7.902 0.005 . 1 . . . A 538 THR H . 18467 1 385 . 1 1 39 39 THR HA H 1 4.789 0.006 . 1 . . . A 538 THR HA . 18467 1 386 . 1 1 39 39 THR HB H 1 3.761 0.003 . 1 . . . A 538 THR HB . 18467 1 387 . 1 1 39 39 THR HG1 H 1 7.155 0.002 . 1 . . . A 538 THR HG1 . 18467 1 388 . 1 1 39 39 THR HG21 H 1 0.803 0.004 . 1 . . . A 538 THR HG21 . 18467 1 389 . 1 1 39 39 THR HG22 H 1 0.803 0.004 . 1 . . . A 538 THR HG22 . 18467 1 390 . 1 1 39 39 THR HG23 H 1 0.803 0.004 . 1 . . . A 538 THR HG23 . 18467 1 391 . 1 1 39 39 THR C C 13 173.433 0.000 . 1 . . . A 538 THR C . 18467 1 392 . 1 1 39 39 THR CA C 13 62.170 0.033 . 1 . . . A 538 THR CA . 18467 1 393 . 1 1 39 39 THR CB C 13 70.774 0.067 . 1 . . . A 538 THR CB . 18467 1 394 . 1 1 39 39 THR CG2 C 13 23.200 0.021 . 1 . . . A 538 THR CG2 . 18467 1 395 . 1 1 39 39 THR N N 15 117.089 0.056 . 1 . . . A 538 THR N . 18467 1 396 . 1 1 40 40 VAL H H 1 9.183 0.003 . 1 . . . A 539 VAL H . 18467 1 397 . 1 1 40 40 VAL HA H 1 4.523 0.015 . 1 . . . A 539 VAL HA . 18467 1 398 . 1 1 40 40 VAL HB H 1 2.019 0.006 . 1 . . . A 539 VAL HB . 18467 1 399 . 1 1 40 40 VAL HG11 H 1 0.824 0.005 . 2 . . . A 539 VAL HG11 . 18467 1 400 . 1 1 40 40 VAL HG12 H 1 0.824 0.005 . 2 . . . A 539 VAL HG12 . 18467 1 401 . 1 1 40 40 VAL HG13 H 1 0.824 0.005 . 2 . . . A 539 VAL HG13 . 18467 1 402 . 1 1 40 40 VAL HG21 H 1 0.708 0.007 . 2 . . . A 539 VAL HG21 . 18467 1 403 . 1 1 40 40 VAL HG22 H 1 0.708 0.007 . 2 . . . A 539 VAL HG22 . 18467 1 404 . 1 1 40 40 VAL HG23 H 1 0.708 0.007 . 2 . . . A 539 VAL HG23 . 18467 1 405 . 1 1 40 40 VAL C C 13 173.960 0.000 . 1 . . . A 539 VAL C . 18467 1 406 . 1 1 40 40 VAL CA C 13 61.184 0.031 . 1 . . . A 539 VAL CA . 18467 1 407 . 1 1 40 40 VAL CB C 13 33.968 0.166 . 1 . . . A 539 VAL CB . 18467 1 408 . 1 1 40 40 VAL CG1 C 13 21.650 0.017 . 2 . . . A 539 VAL CG1 . 18467 1 409 . 1 1 40 40 VAL CG2 C 13 19.554 0.036 . 2 . . . A 539 VAL CG2 . 18467 1 410 . 1 1 40 40 VAL N N 15 126.906 0.047 . 1 . . . A 539 VAL N . 18467 1 411 . 1 1 41 41 PHE H H 1 9.084 0.004 . 1 . . . A 540 PHE H . 18467 1 412 . 1 1 41 41 PHE HA H 1 5.332 0.007 . 1 . . . A 540 PHE HA . 18467 1 413 . 1 1 41 41 PHE HB2 H 1 3.316 0.010 . 2 . . . A 540 PHE HB2 . 18467 1 414 . 1 1 41 41 PHE HB3 H 1 2.910 0.005 . 2 . . . A 540 PHE HB3 . 18467 1 415 . 1 1 41 41 PHE HD1 H 1 7.127 0.006 . 3 . . . A 540 PHE HD1 . 18467 1 416 . 1 1 41 41 PHE HD2 H 1 7.127 0.006 . 3 . . . A 540 PHE HD2 . 18467 1 417 . 1 1 41 41 PHE HE1 H 1 6.772 0.006 . 3 . . . A 540 PHE HE1 . 18467 1 418 . 1 1 41 41 PHE HE2 H 1 6.772 0.006 . 3 . . . A 540 PHE HE2 . 18467 1 419 . 1 1 41 41 PHE C C 13 173.378 0.000 . 1 . . . A 540 PHE C . 18467 1 420 . 1 1 41 41 PHE CA C 13 57.718 0.058 . 1 . . . A 540 PHE CA . 18467 1 421 . 1 1 41 41 PHE CB C 13 38.255 0.083 . 1 . . . A 540 PHE CB . 18467 1 422 . 1 1 41 41 PHE CD1 C 13 132.796 0.053 . 1 . . . A 540 PHE CD1 . 18467 1 423 . 1 1 41 41 PHE CD2 C 13 132.796 0.053 . 1 . . . A 540 PHE CD2 . 18467 1 424 . 1 1 41 41 PHE CE1 C 13 127.405 0.000 . 1 . . . A 540 PHE CE1 . 18467 1 425 . 1 1 41 41 PHE CE2 C 13 127.405 0.000 . 1 . . . A 540 PHE CE2 . 18467 1 426 . 1 1 41 41 PHE N N 15 128.634 0.083 . 1 . . . A 540 PHE N . 18467 1 427 . 1 1 42 42 ALA H H 1 8.572 0.004 . 1 . . . A 541 ALA H . 18467 1 428 . 1 1 42 42 ALA HA H 1 4.499 0.006 . 1 . . . A 541 ALA HA . 18467 1 429 . 1 1 42 42 ALA HB1 H 1 0.803 0.005 . 1 . . . A 541 ALA HB1 . 18467 1 430 . 1 1 42 42 ALA HB2 H 1 0.803 0.005 . 1 . . . A 541 ALA HB2 . 18467 1 431 . 1 1 42 42 ALA HB3 H 1 0.803 0.005 . 1 . . . A 541 ALA HB3 . 18467 1 432 . 1 1 42 42 ALA CA C 13 49.035 0.052 . 1 . . . A 541 ALA CA . 18467 1 433 . 1 1 42 42 ALA CB C 13 22.804 0.047 . 1 . . . A 541 ALA CB . 18467 1 434 . 1 1 42 42 ALA N N 15 125.989 0.061 . 1 . . . A 541 ALA N . 18467 1 435 . 1 1 43 43 PRO HA H 1 5.030 0.006 . 1 . . . A 542 PRO HA . 18467 1 436 . 1 1 43 43 PRO C C 13 177.796 0.000 . 1 . . . A 542 PRO C . 18467 1 437 . 1 1 43 43 PRO CA C 13 60.823 0.041 . 1 . . . A 542 PRO CA . 18467 1 438 . 1 1 43 43 PRO CB C 13 31.462 0.000 . 1 . . . A 542 PRO CB . 18467 1 439 . 1 1 44 44 THR H H 1 7.739 0.004 . 1 . . . A 543 THR H . 18467 1 440 . 1 1 44 44 THR HA H 1 4.423 0.007 . 1 . . . A 543 THR HA . 18467 1 441 . 1 1 44 44 THR HG1 H 1 5.280 0.009 . 1 . . . A 543 THR HG1 . 18467 1 442 . 1 1 44 44 THR HG21 H 1 1.214 0.003 . 1 . . . A 543 THR HG21 . 18467 1 443 . 1 1 44 44 THR HG22 H 1 1.214 0.003 . 1 . . . A 543 THR HG22 . 18467 1 444 . 1 1 44 44 THR HG23 H 1 1.214 0.003 . 1 . . . A 543 THR HG23 . 18467 1 445 . 1 1 44 44 THR C C 13 176.323 0.000 . 1 . . . A 543 THR C . 18467 1 446 . 1 1 44 44 THR CA C 13 60.816 0.047 . 1 . . . A 543 THR CA . 18467 1 447 . 1 1 44 44 THR CB C 13 71.498 0.000 . 1 . . . A 543 THR CB . 18467 1 448 . 1 1 44 44 THR CG2 C 13 22.788 0.087 . 1 . . . A 543 THR CG2 . 18467 1 449 . 1 1 44 44 THR N N 15 111.786 0.044 . 1 . . . A 543 THR N . 18467 1 450 . 1 1 45 45 ASN H H 1 8.679 0.009 . 1 . . . A 544 ASN H . 18467 1 451 . 1 1 45 45 ASN HA H 1 4.621 0.005 . 1 . . . A 544 ASN HA . 18467 1 452 . 1 1 45 45 ASN HB2 H 1 2.890 0.003 . 2 . . . A 544 ASN HB2 . 18467 1 453 . 1 1 45 45 ASN HB3 H 1 2.708 0.009 . 2 . . . A 544 ASN HB3 . 18467 1 454 . 1 1 45 45 ASN HD21 H 1 7.504 0.010 . 2 . . . A 544 ASN HD21 . 18467 1 455 . 1 1 45 45 ASN HD22 H 1 7.351 0.004 . 2 . . . A 544 ASN HD22 . 18467 1 456 . 1 1 45 45 ASN C C 13 177.738 0.000 . 1 . . . A 544 ASN C . 18467 1 457 . 1 1 45 45 ASN CA C 13 56.092 0.024 . 1 . . . A 544 ASN CA . 18467 1 458 . 1 1 45 45 ASN CB C 13 37.329 0.000 . 1 . . . A 544 ASN CB . 18467 1 459 . 1 1 45 45 ASN N N 15 118.432 0.072 . 1 . . . A 544 ASN N . 18467 1 460 . 1 1 45 45 ASN ND2 N 15 111.447 0.055 . 1 . . . A 544 ASN ND2 . 18467 1 461 . 1 1 46 46 GLU H H 1 8.213 0.010 . 1 . . . A 545 GLU H . 18467 1 462 . 1 1 46 46 GLU HA H 1 3.800 0.004 . 1 . . . A 545 GLU HA . 18467 1 463 . 1 1 46 46 GLU HB2 H 1 1.930 0.000 . 2 . . . A 545 GLU HB2 . 18467 1 464 . 1 1 46 46 GLU HB3 H 1 1.930 0.000 . 2 . . . A 545 GLU HB3 . 18467 1 465 . 1 1 46 46 GLU C C 13 178.277 0.000 . 1 . . . A 545 GLU C . 18467 1 466 . 1 1 46 46 GLU CA C 13 60.129 0.030 . 1 . . . A 545 GLU CA . 18467 1 467 . 1 1 46 46 GLU CB C 13 29.254 0.000 . 1 . . . A 545 GLU CB . 18467 1 468 . 1 1 46 46 GLU N N 15 117.774 0.047 . 1 . . . A 545 GLU N . 18467 1 469 . 1 1 47 47 ALA H H 1 7.344 0.005 . 1 . . . A 546 ALA H . 18467 1 470 . 1 1 47 47 ALA HA H 1 3.965 0.008 . 1 . . . A 546 ALA HA . 18467 1 471 . 1 1 47 47 ALA HB1 H 1 1.054 0.004 . 1 . . . A 546 ALA HB1 . 18467 1 472 . 1 1 47 47 ALA HB2 H 1 1.054 0.004 . 1 . . . A 546 ALA HB2 . 18467 1 473 . 1 1 47 47 ALA HB3 H 1 1.054 0.004 . 1 . . . A 546 ALA HB3 . 18467 1 474 . 1 1 47 47 ALA C C 13 180.270 0.000 . 1 . . . A 546 ALA C . 18467 1 475 . 1 1 47 47 ALA CA C 13 54.894 0.026 . 1 . . . A 546 ALA CA . 18467 1 476 . 1 1 47 47 ALA CB C 13 19.469 0.060 . 1 . . . A 546 ALA CB . 18467 1 477 . 1 1 47 47 ALA N N 15 121.430 0.022 . 1 . . . A 546 ALA N . 18467 1 478 . 1 1 48 48 PHE H H 1 7.128 0.007 . 1 . . . A 547 PHE H . 18467 1 479 . 1 1 48 48 PHE HA H 1 3.923 0.008 . 1 . . . A 547 PHE HA . 18467 1 480 . 1 1 48 48 PHE HB2 H 1 2.809 0.011 . 2 . . . A 547 PHE HB2 . 18467 1 481 . 1 1 48 48 PHE HB3 H 1 2.241 0.006 . 2 . . . A 547 PHE HB3 . 18467 1 482 . 1 1 48 48 PHE HD1 H 1 6.920 0.005 . 3 . . . A 547 PHE HD1 . 18467 1 483 . 1 1 48 48 PHE HD2 H 1 6.920 0.005 . 3 . . . A 547 PHE HD2 . 18467 1 484 . 1 1 48 48 PHE HE1 H 1 7.096 0.007 . 3 . . . A 547 PHE HE1 . 18467 1 485 . 1 1 48 48 PHE HE2 H 1 7.096 0.007 . 3 . . . A 547 PHE HE2 . 18467 1 486 . 1 1 48 48 PHE C C 13 178.849 0.000 . 1 . . . A 547 PHE C . 18467 1 487 . 1 1 48 48 PHE CA C 13 61.460 0.117 . 1 . . . A 547 PHE CA . 18467 1 488 . 1 1 48 48 PHE CB C 13 38.400 0.069 . 1 . . . A 547 PHE CB . 18467 1 489 . 1 1 48 48 PHE CD1 C 13 132.590 0.051 . 1 . . . A 547 PHE CD1 . 18467 1 490 . 1 1 48 48 PHE CD2 C 13 132.590 0.051 . 1 . . . A 547 PHE CD2 . 18467 1 491 . 1 1 48 48 PHE CE1 C 13 130.536 0.034 . 1 . . . A 547 PHE CE1 . 18467 1 492 . 1 1 48 48 PHE CE2 C 13 130.536 0.034 . 1 . . . A 547 PHE CE2 . 18467 1 493 . 1 1 48 48 PHE N N 15 115.617 0.027 . 1 . . . A 547 PHE N . 18467 1 494 . 1 1 49 49 ARG H H 1 8.233 0.009 . 1 . . . A 548 ARG H . 18467 1 495 . 1 1 49 49 ARG C C 13 175.961 0.000 . 1 . . . A 548 ARG C . 18467 1 496 . 1 1 49 49 ARG CA C 13 58.359 0.018 . 1 . . . A 548 ARG CA . 18467 1 497 . 1 1 49 49 ARG CB C 13 30.082 0.000 . 1 . . . A 548 ARG CB . 18467 1 498 . 1 1 49 49 ARG N N 15 118.721 0.027 . 1 . . . A 548 ARG N . 18467 1 499 . 1 1 50 50 ALA H H 1 7.166 0.006 . 1 . . . A 549 ALA H . 18467 1 500 . 1 1 50 50 ALA HA H 1 4.309 0.004 . 1 . . . A 549 ALA HA . 18467 1 501 . 1 1 50 50 ALA HB1 H 1 1.510 0.012 . 1 . . . A 549 ALA HB1 . 18467 1 502 . 1 1 50 50 ALA HB2 H 1 1.510 0.012 . 1 . . . A 549 ALA HB2 . 18467 1 503 . 1 1 50 50 ALA HB3 H 1 1.510 0.012 . 1 . . . A 549 ALA HB3 . 18467 1 504 . 1 1 50 50 ALA C C 13 178.758 0.000 . 1 . . . A 549 ALA C . 18467 1 505 . 1 1 50 50 ALA CA C 13 52.405 0.082 . 1 . . . A 549 ALA CA . 18467 1 506 . 1 1 50 50 ALA CB C 13 18.856 0.056 . 1 . . . A 549 ALA CB . 18467 1 507 . 1 1 50 50 ALA N N 15 118.911 0.053 . 1 . . . A 549 ALA N . 18467 1 508 . 1 1 51 51 LEU H H 1 7.130 0.003 . 1 . . . A 550 LEU H . 18467 1 509 . 1 1 51 51 LEU HA H 1 4.541 0.006 . 1 . . . A 550 LEU HA . 18467 1 510 . 1 1 51 51 LEU HB2 H 1 1.943 0.004 . 2 . . . A 550 LEU HB2 . 18467 1 511 . 1 1 51 51 LEU HB3 H 1 1.383 0.007 . 2 . . . A 550 LEU HB3 . 18467 1 512 . 1 1 51 51 LEU HG H 1 1.931 0.004 . 1 . . . A 550 LEU HG . 18467 1 513 . 1 1 51 51 LEU HD11 H 1 1.107 0.003 . 2 . . . A 550 LEU HD11 . 18467 1 514 . 1 1 51 51 LEU HD12 H 1 1.107 0.003 . 2 . . . A 550 LEU HD12 . 18467 1 515 . 1 1 51 51 LEU HD13 H 1 1.107 0.003 . 2 . . . A 550 LEU HD13 . 18467 1 516 . 1 1 51 51 LEU HD21 H 1 0.971 0.003 . 2 . . . A 550 LEU HD21 . 18467 1 517 . 1 1 51 51 LEU HD22 H 1 0.971 0.003 . 2 . . . A 550 LEU HD22 . 18467 1 518 . 1 1 51 51 LEU HD23 H 1 0.971 0.003 . 2 . . . A 550 LEU HD23 . 18467 1 519 . 1 1 51 51 LEU CA C 13 53.504 0.039 . 1 . . . A 550 LEU CA . 18467 1 520 . 1 1 51 51 LEU CB C 13 41.195 0.066 . 1 . . . A 550 LEU CB . 18467 1 521 . 1 1 51 51 LEU CG C 13 27.181 0.053 . 1 . . . A 550 LEU CG . 18467 1 522 . 1 1 51 51 LEU CD1 C 13 26.273 0.050 . 2 . . . A 550 LEU CD1 . 18467 1 523 . 1 1 51 51 LEU CD2 C 13 23.154 0.054 . 2 . . . A 550 LEU CD2 . 18467 1 524 . 1 1 51 51 LEU N N 15 119.543 0.068 . 1 . . . A 550 LEU N . 18467 1 525 . 1 1 52 52 PRO HA H 1 4.780 0.010 . 1 . . . A 551 PRO HA . 18467 1 526 . 1 1 52 52 PRO HB2 H 1 2.590 0.000 . 2 . . . A 551 PRO HB2 . 18467 1 527 . 1 1 52 52 PRO HG2 H 1 2.203 0.000 . 2 . . . A 551 PRO HG2 . 18467 1 528 . 1 1 52 52 PRO HD2 H 1 4.080 0.002 . 2 . . . A 551 PRO HD2 . 18467 1 529 . 1 1 52 52 PRO HD3 H 1 3.551 0.002 . 2 . . . A 551 PRO HD3 . 18467 1 530 . 1 1 52 52 PRO CA C 13 61.356 0.000 . 1 . . . A 551 PRO CA . 18467 1 531 . 1 1 52 52 PRO CB C 13 31.589 0.000 . 1 . . . A 551 PRO CB . 18467 1 532 . 1 1 52 52 PRO CD C 13 50.417 0.062 . 1 . . . A 551 PRO CD . 18467 1 533 . 1 1 53 53 PRO HA H 1 4.415 0.004 . 1 . . . A 552 PRO HA . 18467 1 534 . 1 1 53 53 PRO HB2 H 1 2.064 0.000 . 2 . . . A 552 PRO HB2 . 18467 1 535 . 1 1 53 53 PRO HB3 H 1 2.499 0.006 . 2 . . . A 552 PRO HB3 . 18467 1 536 . 1 1 53 53 PRO HG2 H 1 2.246 0.005 . 2 . . . A 552 PRO HG2 . 18467 1 537 . 1 1 53 53 PRO HG3 H 1 2.145 0.000 . 2 . . . A 552 PRO HG3 . 18467 1 538 . 1 1 53 53 PRO HD2 H 1 3.947 0.006 . 2 . . . A 552 PRO HD2 . 18467 1 539 . 1 1 53 53 PRO HD3 H 1 3.947 0.006 . 2 . . . A 552 PRO HD3 . 18467 1 540 . 1 1 53 53 PRO CA C 13 65.934 0.102 . 1 . . . A 552 PRO CA . 18467 1 541 . 1 1 53 53 PRO CB C 13 32.117 0.038 . 1 . . . A 552 PRO CB . 18467 1 542 . 1 1 53 53 PRO CG C 13 27.526 0.000 . 1 . . . A 552 PRO CG . 18467 1 543 . 1 1 53 53 PRO CD C 13 50.786 0.000 . 1 . . . A 552 PRO CD . 18467 1 544 . 1 1 54 54 ARG C C 13 178.861 0.000 . 1 . . . A 553 ARG C . 18467 1 545 . 1 1 54 54 ARG CA C 13 59.040 0.000 . 1 . . . A 553 ARG CA . 18467 1 546 . 1 1 54 54 ARG CB C 13 29.650 0.000 . 1 . . . A 553 ARG CB . 18467 1 547 . 1 1 55 55 GLU H H 1 7.713 0.003 . 1 . . . A 554 GLU H . 18467 1 548 . 1 1 55 55 GLU HA H 1 4.569 0.004 . 1 . . . A 554 GLU HA . 18467 1 549 . 1 1 55 55 GLU HB2 H 1 2.206 0.004 . 2 . . . A 554 GLU HB2 . 18467 1 550 . 1 1 55 55 GLU HB3 H 1 2.206 0.004 . 2 . . . A 554 GLU HB3 . 18467 1 551 . 1 1 55 55 GLU CA C 13 57.913 0.074 . 1 . . . A 554 GLU CA . 18467 1 552 . 1 1 55 55 GLU CB C 13 29.799 0.000 . 1 . . . A 554 GLU CB . 18467 1 553 . 1 1 55 55 GLU N N 15 120.619 0.079 . 1 . . . A 554 GLU N . 18467 1 554 . 1 1 56 56 TRP H H 1 8.151 0.005 . 1 . . . A 555 TRP H . 18467 1 555 . 1 1 56 56 TRP HA H 1 4.790 0.010 . 1 . . . A 555 TRP HA . 18467 1 556 . 1 1 56 56 TRP HB2 H 1 3.318 0.004 . 2 . . . A 555 TRP HB2 . 18467 1 557 . 1 1 56 56 TRP HD1 H 1 7.141 0.002 . 1 . . . A 555 TRP HD1 . 18467 1 558 . 1 1 56 56 TRP HE1 H 1 9.904 0.012 . 1 . . . A 555 TRP HE1 . 18467 1 559 . 1 1 56 56 TRP HZ2 H 1 7.160 0.005 . 1 . . . A 555 TRP HZ2 . 18467 1 560 . 1 1 56 56 TRP HZ3 H 1 7.141 0.002 . 1 . . . A 555 TRP HZ3 . 18467 1 561 . 1 1 56 56 TRP HH2 H 1 6.556 0.010 . 1 . . . A 555 TRP HH2 . 18467 1 562 . 1 1 56 56 TRP C C 13 176.837 0.000 . 1 . . . A 555 TRP C . 18467 1 563 . 1 1 56 56 TRP CA C 13 59.458 0.060 . 1 . . . A 555 TRP CA . 18467 1 564 . 1 1 56 56 TRP CB C 13 30.606 0.000 . 1 . . . A 555 TRP CB . 18467 1 565 . 1 1 56 56 TRP CD1 C 13 126.761 0.070 . 1 . . . A 555 TRP CD1 . 18467 1 566 . 1 1 56 56 TRP CZ2 C 13 114.657 0.000 . 1 . . . A 555 TRP CZ2 . 18467 1 567 . 1 1 56 56 TRP CH2 C 13 123.960 0.000 . 1 . . . A 555 TRP CH2 . 18467 1 568 . 1 1 56 56 TRP N N 15 120.789 0.090 . 1 . . . A 555 TRP N . 18467 1 569 . 1 1 56 56 TRP NE1 N 15 128.213 0.039 . 1 . . . A 555 TRP NE1 . 18467 1 570 . 1 1 57 57 SER H H 1 8.263 0.004 . 1 . . . A 556 SER H . 18467 1 571 . 1 1 57 57 SER HA H 1 4.169 0.000 . 1 . . . A 556 SER HA . 18467 1 572 . 1 1 57 57 SER HB2 H 1 3.790 0.000 . 2 . . . A 556 SER HB2 . 18467 1 573 . 1 1 57 57 SER HB3 H 1 3.862 0.000 . 2 . . . A 556 SER HB3 . 18467 1 574 . 1 1 57 57 SER C C 13 177.169 0.000 . 1 . . . A 556 SER C . 18467 1 575 . 1 1 57 57 SER CA C 13 61.964 0.021 . 1 . . . A 556 SER CA . 18467 1 576 . 1 1 57 57 SER N N 15 110.579 0.037 . 1 . . . A 556 SER N . 18467 1 577 . 1 1 58 58 ARG H H 1 7.594 0.003 . 1 . . . A 557 ARG H . 18467 1 578 . 1 1 58 58 ARG CA C 13 59.314 0.000 . 1 . . . A 557 ARG CA . 18467 1 579 . 1 1 58 58 ARG CB C 13 30.188 0.000 . 1 . . . A 557 ARG CB . 18467 1 580 . 1 1 58 58 ARG N N 15 122.546 0.067 . 1 . . . A 557 ARG N . 18467 1 581 . 1 1 59 59 LEU H H 1 8.143 0.003 . 1 . . . A 558 LEU H . 18467 1 582 . 1 1 59 59 LEU HA H 1 3.902 0.005 . 1 . . . A 558 LEU HA . 18467 1 583 . 1 1 59 59 LEU HB2 H 1 1.946 0.003 . 2 . . . A 558 LEU HB2 . 18467 1 584 . 1 1 59 59 LEU HB3 H 1 1.287 0.007 . 2 . . . A 558 LEU HB3 . 18467 1 585 . 1 1 59 59 LEU HG H 1 1.873 0.010 . 1 . . . A 558 LEU HG . 18467 1 586 . 1 1 59 59 LEU HD11 H 1 1.043 0.003 . 2 . . . A 558 LEU HD11 . 18467 1 587 . 1 1 59 59 LEU HD12 H 1 1.043 0.003 . 2 . . . A 558 LEU HD12 . 18467 1 588 . 1 1 59 59 LEU HD13 H 1 1.043 0.003 . 2 . . . A 558 LEU HD13 . 18467 1 589 . 1 1 59 59 LEU HD21 H 1 0.870 0.004 . 2 . . . A 558 LEU HD21 . 18467 1 590 . 1 1 59 59 LEU HD22 H 1 0.870 0.004 . 2 . . . A 558 LEU HD22 . 18467 1 591 . 1 1 59 59 LEU HD23 H 1 0.870 0.004 . 2 . . . A 558 LEU HD23 . 18467 1 592 . 1 1 59 59 LEU C C 13 178.293 0.000 . 1 . . . A 558 LEU C . 18467 1 593 . 1 1 59 59 LEU CA C 13 57.989 0.051 . 1 . . . A 558 LEU CA . 18467 1 594 . 1 1 59 59 LEU CB C 13 41.974 0.077 . 1 . . . A 558 LEU CB . 18467 1 595 . 1 1 59 59 LEU CG C 13 27.079 0.051 . 1 . . . A 558 LEU CG . 18467 1 596 . 1 1 59 59 LEU CD1 C 13 24.858 0.084 . 2 . . . A 558 LEU CD1 . 18467 1 597 . 1 1 59 59 LEU CD2 C 13 23.279 0.063 . 2 . . . A 558 LEU CD2 . 18467 1 598 . 1 1 59 59 LEU N N 15 120.695 0.069 . 1 . . . A 558 LEU N . 18467 1 599 . 1 1 60 60 LEU H H 1 7.725 0.005 . 1 . . . A 559 LEU H . 18467 1 600 . 1 1 60 60 LEU HA H 1 3.643 0.006 . 1 . . . A 559 LEU HA . 18467 1 601 . 1 1 60 60 LEU HB2 H 1 1.202 0.005 . 2 . . . A 559 LEU HB2 . 18467 1 602 . 1 1 60 60 LEU HB3 H 1 1.056 0.006 . 2 . . . A 559 LEU HB3 . 18467 1 603 . 1 1 60 60 LEU HG H 1 0.566 0.009 . 1 . . . A 559 LEU HG . 18467 1 604 . 1 1 60 60 LEU HD11 H 1 0.237 0.005 . 2 . . . A 559 LEU HD11 . 18467 1 605 . 1 1 60 60 LEU HD12 H 1 0.237 0.005 . 2 . . . A 559 LEU HD12 . 18467 1 606 . 1 1 60 60 LEU HD13 H 1 0.237 0.005 . 2 . . . A 559 LEU HD13 . 18467 1 607 . 1 1 60 60 LEU HD21 H 1 0.253 0.006 . 2 . . . A 559 LEU HD21 . 18467 1 608 . 1 1 60 60 LEU HD22 H 1 0.253 0.006 . 2 . . . A 559 LEU HD22 . 18467 1 609 . 1 1 60 60 LEU HD23 H 1 0.253 0.006 . 2 . . . A 559 LEU HD23 . 18467 1 610 . 1 1 60 60 LEU C C 13 178.818 0.000 . 1 . . . A 559 LEU C . 18467 1 611 . 1 1 60 60 LEU CA C 13 56.773 0.032 . 1 . . . A 559 LEU CA . 18467 1 612 . 1 1 60 60 LEU CB C 13 41.434 0.028 . 1 . . . A 559 LEU CB . 18467 1 613 . 1 1 60 60 LEU CG C 13 25.977 0.030 . 1 . . . A 559 LEU CG . 18467 1 614 . 1 1 60 60 LEU CD1 C 13 21.795 0.056 . 2 . . . A 559 LEU CD1 . 18467 1 615 . 1 1 60 60 LEU CD2 C 13 24.295 0.077 . 2 . . . A 559 LEU CD2 . 18467 1 616 . 1 1 60 60 LEU N N 15 115.713 0.043 . 1 . . . A 559 LEU N . 18467 1 617 . 1 1 61 61 GLY H H 1 7.311 0.003 . 1 . . . A 560 GLY H . 18467 1 618 . 1 1 61 61 GLY HA2 H 1 4.172 0.006 . 2 . . . A 560 GLY HA2 . 18467 1 619 . 1 1 61 61 GLY HA3 H 1 3.629 0.010 . 2 . . . A 560 GLY HA3 . 18467 1 620 . 1 1 61 61 GLY C C 13 173.364 0.000 . 1 . . . A 560 GLY C . 18467 1 621 . 1 1 61 61 GLY CA C 13 45.029 0.071 . 1 . . . A 560 GLY CA . 18467 1 622 . 1 1 61 61 GLY N N 15 103.312 0.055 . 1 . . . A 560 GLY N . 18467 1 623 . 1 1 62 62 ASP H H 1 7.532 0.003 . 1 . . . A 561 ASP H . 18467 1 624 . 1 1 62 62 ASP HA H 1 4.847 0.007 . 1 . . . A 561 ASP HA . 18467 1 625 . 1 1 62 62 ASP HB2 H 1 3.047 0.004 . 2 . . . A 561 ASP HB2 . 18467 1 626 . 1 1 62 62 ASP HB3 H 1 2.382 0.005 . 2 . . . A 561 ASP HB3 . 18467 1 627 . 1 1 62 62 ASP C C 13 173.909 0.000 . 1 . . . A 561 ASP C . 18467 1 628 . 1 1 62 62 ASP CA C 13 52.302 0.012 . 1 . . . A 561 ASP CA . 18467 1 629 . 1 1 62 62 ASP CB C 13 41.362 0.000 . 1 . . . A 561 ASP CB . 18467 1 630 . 1 1 62 62 ASP N N 15 122.455 0.034 . 1 . . . A 561 ASP N . 18467 1 631 . 1 1 63 63 ALA H H 1 8.372 0.004 . 1 . . . A 562 ALA H . 18467 1 632 . 1 1 63 63 ALA HA H 1 4.019 0.008 . 1 . . . A 562 ALA HA . 18467 1 633 . 1 1 63 63 ALA HB1 H 1 1.459 0.007 . 1 . . . A 562 ALA HB1 . 18467 1 634 . 1 1 63 63 ALA HB2 H 1 1.459 0.007 . 1 . . . A 562 ALA HB2 . 18467 1 635 . 1 1 63 63 ALA HB3 H 1 1.459 0.007 . 1 . . . A 562 ALA HB3 . 18467 1 636 . 1 1 63 63 ALA C C 13 180.109 0.000 . 1 . . . A 562 ALA C . 18467 1 637 . 1 1 63 63 ALA CA C 13 55.660 0.046 . 1 . . . A 562 ALA CA . 18467 1 638 . 1 1 63 63 ALA CB C 13 18.980 0.076 . 1 . . . A 562 ALA CB . 18467 1 639 . 1 1 63 63 ALA N N 15 125.643 0.045 . 1 . . . A 562 ALA N . 18467 1 640 . 1 1 64 64 LYS H H 1 8.111 0.003 . 1 . . . A 563 LYS H . 18467 1 641 . 1 1 64 64 LYS HA H 1 4.116 0.007 . 1 . . . A 563 LYS HA . 18467 1 642 . 1 1 64 64 LYS HB2 H 1 1.963 0.002 . 2 . . . A 563 LYS HB2 . 18467 1 643 . 1 1 64 64 LYS HB3 H 1 1.963 0.002 . 2 . . . A 563 LYS HB3 . 18467 1 644 . 1 1 64 64 LYS HG2 H 1 1.438 0.000 . 2 . . . A 563 LYS HG2 . 18467 1 645 . 1 1 64 64 LYS HG3 H 1 1.587 0.000 . 2 . . . A 563 LYS HG3 . 18467 1 646 . 1 1 64 64 LYS HD2 H 1 1.754 0.000 . 2 . . . A 563 LYS HD2 . 18467 1 647 . 1 1 64 64 LYS HD3 H 1 1.754 0.000 . 2 . . . A 563 LYS HD3 . 18467 1 648 . 1 1 64 64 LYS HE2 H 1 3.055 0.001 . 2 . . . A 563 LYS HE2 . 18467 1 649 . 1 1 64 64 LYS HE3 H 1 3.055 0.001 . 2 . . . A 563 LYS HE3 . 18467 1 650 . 1 1 64 64 LYS C C 13 179.293 0.000 . 1 . . . A 563 LYS C . 18467 1 651 . 1 1 64 64 LYS CA C 13 59.459 0.000 . 1 . . . A 563 LYS CA . 18467 1 652 . 1 1 64 64 LYS CB C 13 32.165 0.107 . 1 . . . A 563 LYS CB . 18467 1 653 . 1 1 64 64 LYS CG C 13 25.175 0.000 . 1 . . . A 563 LYS CG . 18467 1 654 . 1 1 64 64 LYS CD C 13 29.090 0.000 . 1 . . . A 563 LYS CD . 18467 1 655 . 1 1 64 64 LYS N N 15 117.354 0.068 . 1 . . . A 563 LYS N . 18467 1 656 . 1 1 65 65 GLU H H 1 7.725 0.004 . 1 . . . A 564 GLU H . 18467 1 657 . 1 1 65 65 GLU HA H 1 4.207 0.008 . 1 . . . A 564 GLU HA . 18467 1 658 . 1 1 65 65 GLU C C 13 179.679 0.000 . 1 . . . A 564 GLU C . 18467 1 659 . 1 1 65 65 GLU CA C 13 58.683 0.000 . 1 . . . A 564 GLU CA . 18467 1 660 . 1 1 65 65 GLU CB C 13 29.403 0.000 . 1 . . . A 564 GLU CB . 18467 1 661 . 1 1 65 65 GLU N N 15 120.953 0.058 . 1 . . . A 564 GLU N . 18467 1 662 . 1 1 66 66 LEU H H 1 8.668 0.003 . 1 . . . A 565 LEU H . 18467 1 663 . 1 1 66 66 LEU HA H 1 4.117 0.004 . 1 . . . A 565 LEU HA . 18467 1 664 . 1 1 66 66 LEU HD11 H 1 0.852 0.014 . 2 . . . A 565 LEU HD11 . 18467 1 665 . 1 1 66 66 LEU HD12 H 1 0.852 0.014 . 2 . . . A 565 LEU HD12 . 18467 1 666 . 1 1 66 66 LEU HD13 H 1 0.852 0.014 . 2 . . . A 565 LEU HD13 . 18467 1 667 . 1 1 66 66 LEU HD21 H 1 0.916 0.004 . 2 . . . A 565 LEU HD21 . 18467 1 668 . 1 1 66 66 LEU HD22 H 1 0.916 0.004 . 2 . . . A 565 LEU HD22 . 18467 1 669 . 1 1 66 66 LEU HD23 H 1 0.916 0.004 . 2 . . . A 565 LEU HD23 . 18467 1 670 . 1 1 66 66 LEU C C 13 178.692 0.000 . 1 . . . A 565 LEU C . 18467 1 671 . 1 1 66 66 LEU CA C 13 57.883 0.040 . 1 . . . A 565 LEU CA . 18467 1 672 . 1 1 66 66 LEU CB C 13 40.916 0.000 . 1 . . . A 565 LEU CB . 18467 1 673 . 1 1 66 66 LEU CD1 C 13 26.513 0.000 . 2 . . . A 565 LEU CD1 . 18467 1 674 . 1 1 66 66 LEU N N 15 120.534 0.062 . 1 . . . A 565 LEU N . 18467 1 675 . 1 1 67 67 ALA H H 1 8.474 0.003 . 1 . . . A 566 ALA H . 18467 1 676 . 1 1 67 67 ALA HA H 1 3.904 0.004 . 1 . . . A 566 ALA HA . 18467 1 677 . 1 1 67 67 ALA HB1 H 1 1.647 0.006 . 1 . . . A 566 ALA HB1 . 18467 1 678 . 1 1 67 67 ALA HB2 H 1 1.647 0.006 . 1 . . . A 566 ALA HB2 . 18467 1 679 . 1 1 67 67 ALA HB3 H 1 1.647 0.006 . 1 . . . A 566 ALA HB3 . 18467 1 680 . 1 1 67 67 ALA C C 13 179.042 0.000 . 1 . . . A 566 ALA C . 18467 1 681 . 1 1 67 67 ALA CA C 13 55.916 0.070 . 1 . . . A 566 ALA CA . 18467 1 682 . 1 1 67 67 ALA CB C 13 17.972 0.089 . 1 . . . A 566 ALA CB . 18467 1 683 . 1 1 67 67 ALA N N 15 119.170 0.029 . 1 . . . A 566 ALA N . 18467 1 684 . 1 1 68 68 ASN H H 1 7.555 0.002 . 1 . . . A 567 ASN H . 18467 1 685 . 1 1 68 68 ASN HA H 1 4.479 0.005 . 1 . . . A 567 ASN HA . 18467 1 686 . 1 1 68 68 ASN HB2 H 1 2.981 0.005 . 2 . . . A 567 ASN HB2 . 18467 1 687 . 1 1 68 68 ASN HB3 H 1 2.981 0.005 . 2 . . . A 567 ASN HB3 . 18467 1 688 . 1 1 68 68 ASN CA C 13 57.014 0.058 . 1 . . . A 567 ASN CA . 18467 1 689 . 1 1 68 68 ASN CB C 13 38.597 0.093 . 1 . . . A 567 ASN CB . 18467 1 690 . 1 1 68 68 ASN N N 15 115.725 0.037 . 1 . . . A 567 ASN N . 18467 1 691 . 1 1 69 69 ILE H H 1 7.832 0.008 . 1 . . . A 568 ILE H . 18467 1 692 . 1 1 69 69 ILE HA H 1 4.125 0.005 . 1 . . . A 568 ILE HA . 18467 1 693 . 1 1 69 69 ILE HB H 1 2.194 0.005 . 1 . . . A 568 ILE HB . 18467 1 694 . 1 1 69 69 ILE HG12 H 1 1.471 0.008 . 2 . . . A 568 ILE HG12 . 18467 1 695 . 1 1 69 69 ILE HG13 H 1 1.896 0.004 . 2 . . . A 568 ILE HG13 . 18467 1 696 . 1 1 69 69 ILE HG21 H 1 1.168 0.006 . 1 . . . A 568 ILE HG21 . 18467 1 697 . 1 1 69 69 ILE HG22 H 1 1.168 0.006 . 1 . . . A 568 ILE HG22 . 18467 1 698 . 1 1 69 69 ILE HG23 H 1 1.168 0.006 . 1 . . . A 568 ILE HG23 . 18467 1 699 . 1 1 69 69 ILE HD11 H 1 1.052 0.003 . 1 . . . A 568 ILE HD11 . 18467 1 700 . 1 1 69 69 ILE HD12 H 1 1.052 0.003 . 1 . . . A 568 ILE HD12 . 18467 1 701 . 1 1 69 69 ILE HD13 H 1 1.052 0.003 . 1 . . . A 568 ILE HD13 . 18467 1 702 . 1 1 69 69 ILE C C 13 179.766 0.000 . 1 . . . A 568 ILE C . 18467 1 703 . 1 1 69 69 ILE CA C 13 64.168 0.008 . 1 . . . A 568 ILE CA . 18467 1 704 . 1 1 69 69 ILE CB C 13 38.547 0.098 . 1 . . . A 568 ILE CB . 18467 1 705 . 1 1 69 69 ILE CG1 C 13 29.296 0.000 . 1 . . . A 568 ILE CG1 . 18467 1 706 . 1 1 69 69 ILE CG2 C 13 16.959 0.046 . 1 . . . A 568 ILE CG2 . 18467 1 707 . 1 1 69 69 ILE CD1 C 13 14.014 0.025 . 1 . . . A 568 ILE CD1 . 18467 1 708 . 1 1 69 69 ILE N N 15 118.231 0.076 . 1 . . . A 568 ILE N . 18467 1 709 . 1 1 70 70 LEU H H 1 8.705 0.006 . 1 . . . A 569 LEU H . 18467 1 710 . 1 1 70 70 LEU HA H 1 4.114 0.003 . 1 . . . A 569 LEU HA . 18467 1 711 . 1 1 70 70 LEU HB2 H 1 1.877 0.004 . 2 . . . A 569 LEU HB2 . 18467 1 712 . 1 1 70 70 LEU HB3 H 1 1.119 0.002 . 2 . . . A 569 LEU HB3 . 18467 1 713 . 1 1 70 70 LEU HD11 H 1 0.695 0.006 . 1 . . . A 569 LEU HD11 . 18467 1 714 . 1 1 70 70 LEU HD12 H 1 0.695 0.006 . 1 . . . A 569 LEU HD12 . 18467 1 715 . 1 1 70 70 LEU HD13 H 1 0.695 0.006 . 1 . . . A 569 LEU HD13 . 18467 1 716 . 1 1 70 70 LEU HD21 H 1 0.695 0.006 . 1 . . . A 569 LEU HD21 . 18467 1 717 . 1 1 70 70 LEU HD22 H 1 0.695 0.006 . 1 . . . A 569 LEU HD22 . 18467 1 718 . 1 1 70 70 LEU HD23 H 1 0.695 0.006 . 1 . . . A 569 LEU HD23 . 18467 1 719 . 1 1 70 70 LEU C C 13 179.633 0.000 . 1 . . . A 569 LEU C . 18467 1 720 . 1 1 70 70 LEU CA C 13 58.463 0.006 . 1 . . . A 569 LEU CA . 18467 1 721 . 1 1 70 70 LEU CB C 13 42.056 0.131 . 1 . . . A 569 LEU CB . 18467 1 722 . 1 1 70 70 LEU CD1 C 13 27.077 0.060 . 1 . . . A 569 LEU CD1 . 18467 1 723 . 1 1 70 70 LEU CD2 C 13 27.077 0.060 . 1 . . . A 569 LEU CD2 . 18467 1 724 . 1 1 70 70 LEU N N 15 120.962 0.043 . 1 . . . A 569 LEU N . 18467 1 725 . 1 1 71 71 LYS H H 1 8.889 0.004 . 1 . . . A 570 LYS H . 18467 1 726 . 1 1 71 71 LYS HA H 1 3.933 0.004 . 1 . . . A 570 LYS HA . 18467 1 727 . 1 1 71 71 LYS C C 13 177.691 0.000 . 1 . . . A 570 LYS C . 18467 1 728 . 1 1 71 71 LYS CA C 13 60.750 0.003 . 1 . . . A 570 LYS CA . 18467 1 729 . 1 1 71 71 LYS CB C 13 32.439 0.000 . 1 . . . A 570 LYS CB . 18467 1 730 . 1 1 71 71 LYS N N 15 116.318 0.028 . 1 . . . A 570 LYS N . 18467 1 731 . 1 1 72 72 TYR H H 1 7.557 0.003 . 1 . . . A 571 TYR H . 18467 1 732 . 1 1 72 72 TYR HA H 1 4.596 0.005 . 1 . . . A 571 TYR HA . 18467 1 733 . 1 1 72 72 TYR HB2 H 1 3.176 0.003 . 2 . . . A 571 TYR HB2 . 18467 1 734 . 1 1 72 72 TYR HB3 H 1 3.046 0.008 . 2 . . . A 571 TYR HB3 . 18467 1 735 . 1 1 72 72 TYR HD1 H 1 6.803 0.004 . 3 . . . A 571 TYR HD1 . 18467 1 736 . 1 1 72 72 TYR HD2 H 1 6.803 0.004 . 3 . . . A 571 TYR HD2 . 18467 1 737 . 1 1 72 72 TYR HE1 H 1 6.245 0.003 . 3 . . . A 571 TYR HE1 . 18467 1 738 . 1 1 72 72 TYR HE2 H 1 6.245 0.003 . 3 . . . A 571 TYR HE2 . 18467 1 739 . 1 1 72 72 TYR C C 13 171.958 0.000 . 1 . . . A 571 TYR C . 18467 1 740 . 1 1 72 72 TYR CA C 13 59.022 0.247 . 1 . . . A 571 TYR CA . 18467 1 741 . 1 1 72 72 TYR CB C 13 38.970 0.000 . 1 . . . A 571 TYR CB . 18467 1 742 . 1 1 72 72 TYR CD1 C 13 132.905 0.020 . 1 . . . A 571 TYR CD1 . 18467 1 743 . 1 1 72 72 TYR CD2 C 13 132.905 0.020 . 1 . . . A 571 TYR CD2 . 18467 1 744 . 1 1 72 72 TYR CE1 C 13 117.308 0.091 . 1 . . . A 571 TYR CE1 . 18467 1 745 . 1 1 72 72 TYR CE2 C 13 117.308 0.091 . 1 . . . A 571 TYR CE2 . 18467 1 746 . 1 1 72 72 TYR N N 15 119.628 0.045 . 1 . . . A 571 TYR N . 18467 1 747 . 1 1 73 73 HIS H H 1 7.583 0.003 . 1 . . . A 572 HIS H . 18467 1 748 . 1 1 73 73 HIS HA H 1 4.206 0.009 . 1 . . . A 572 HIS HA . 18467 1 749 . 1 1 73 73 HIS HB2 H 1 3.267 0.005 . 2 . . . A 572 HIS HB2 . 18467 1 750 . 1 1 73 73 HIS HD1 H 1 11.554 0.004 . 1 . . . A 572 HIS HD1 . 18467 1 751 . 1 1 73 73 HIS HD2 H 1 7.193 0.000 . 1 . . . A 572 HIS HD2 . 18467 1 752 . 1 1 73 73 HIS HE1 H 1 7.742 0.004 . 1 . . . A 572 HIS HE1 . 18467 1 753 . 1 1 73 73 HIS C C 13 173.668 0.000 . 1 . . . A 572 HIS C . 18467 1 754 . 1 1 73 73 HIS CA C 13 58.880 0.000 . 1 . . . A 572 HIS CA . 18467 1 755 . 1 1 73 73 HIS CB C 13 28.164 0.000 . 1 . . . A 572 HIS CB . 18467 1 756 . 1 1 73 73 HIS CE1 C 13 138.778 0.030 . 1 . . . A 572 HIS CE1 . 18467 1 757 . 1 1 73 73 HIS N N 15 108.692 0.035 . 1 . . . A 572 HIS N . 18467 1 758 . 1 1 73 73 HIS ND1 N 15 166.209 0.028 . 1 . . . A 572 HIS ND1 . 18467 1 759 . 1 1 74 74 ILE H H 1 7.283 0.003 . 1 . . . A 573 ILE H . 18467 1 760 . 1 1 74 74 ILE HA H 1 5.236 0.006 . 1 . . . A 573 ILE HA . 18467 1 761 . 1 1 74 74 ILE HB H 1 1.776 0.004 . 1 . . . A 573 ILE HB . 18467 1 762 . 1 1 74 74 ILE HG12 H 1 2.083 0.008 . 1 . . . A 573 ILE HG12 . 18467 1 763 . 1 1 74 74 ILE HG13 H 1 2.083 0.008 . 1 . . . A 573 ILE HG13 . 18467 1 764 . 1 1 74 74 ILE HG21 H 1 0.920 0.005 . 1 . . . A 573 ILE HG21 . 18467 1 765 . 1 1 74 74 ILE HG22 H 1 0.920 0.005 . 1 . . . A 573 ILE HG22 . 18467 1 766 . 1 1 74 74 ILE HG23 H 1 0.920 0.005 . 1 . . . A 573 ILE HG23 . 18467 1 767 . 1 1 74 74 ILE HD11 H 1 0.691 0.007 . 1 . . . A 573 ILE HD11 . 18467 1 768 . 1 1 74 74 ILE HD12 H 1 0.691 0.007 . 1 . . . A 573 ILE HD12 . 18467 1 769 . 1 1 74 74 ILE HD13 H 1 0.691 0.007 . 1 . . . A 573 ILE HD13 . 18467 1 770 . 1 1 74 74 ILE C C 13 175.634 0.000 . 1 . . . A 573 ILE C . 18467 1 771 . 1 1 74 74 ILE CA C 13 59.501 0.040 . 1 . . . A 573 ILE CA . 18467 1 772 . 1 1 74 74 ILE CB C 13 40.955 0.003 . 1 . . . A 573 ILE CB . 18467 1 773 . 1 1 74 74 ILE CG1 C 13 26.940 0.092 . 1 . . . A 573 ILE CG1 . 18467 1 774 . 1 1 74 74 ILE CG2 C 13 18.779 0.131 . 1 . . . A 573 ILE CG2 . 18467 1 775 . 1 1 74 74 ILE CD1 C 13 14.537 0.078 . 1 . . . A 573 ILE CD1 . 18467 1 776 . 1 1 74 74 ILE N N 15 117.585 0.040 . 1 . . . A 573 ILE N . 18467 1 777 . 1 1 75 75 GLY H H 1 10.218 0.004 . 1 . . . A 574 GLY H . 18467 1 778 . 1 1 75 75 GLY HA2 H 1 5.063 0.008 . 2 . . . A 574 GLY HA2 . 18467 1 779 . 1 1 75 75 GLY HA3 H 1 3.412 0.005 . 2 . . . A 574 GLY HA3 . 18467 1 780 . 1 1 75 75 GLY C C 13 173.914 0.000 . 1 . . . A 574 GLY C . 18467 1 781 . 1 1 75 75 GLY CA C 13 43.960 0.038 . 1 . . . A 574 GLY CA . 18467 1 782 . 1 1 75 75 GLY N N 15 111.783 0.044 . 1 . . . A 574 GLY N . 18467 1 783 . 1 1 76 76 ASP H H 1 8.361 0.004 . 1 . . . A 575 ASP H . 18467 1 784 . 1 1 76 76 ASP HA H 1 4.759 0.009 . 1 . . . A 575 ASP HA . 18467 1 785 . 1 1 76 76 ASP HB2 H 1 2.370 0.006 . 2 . . . A 575 ASP HB2 . 18467 1 786 . 1 1 76 76 ASP HB3 H 1 3.023 0.008 . 2 . . . A 575 ASP HB3 . 18467 1 787 . 1 1 76 76 ASP C C 13 174.756 0.000 . 1 . . . A 575 ASP C . 18467 1 788 . 1 1 76 76 ASP CA C 13 53.707 0.020 . 1 . . . A 575 ASP CA . 18467 1 789 . 1 1 76 76 ASP CB C 13 41.029 0.077 . 1 . . . A 575 ASP CB . 18467 1 790 . 1 1 76 76 ASP N N 15 120.537 0.027 . 1 . . . A 575 ASP N . 18467 1 791 . 1 1 77 77 GLU H H 1 7.266 0.004 . 1 . . . A 576 GLU H . 18467 1 792 . 1 1 77 77 GLU HA H 1 4.472 0.005 . 1 . . . A 576 GLU HA . 18467 1 793 . 1 1 77 77 GLU HB2 H 1 1.972 0.003 . 2 . . . A 576 GLU HB2 . 18467 1 794 . 1 1 77 77 GLU HB3 H 1 1.818 0.004 . 2 . . . A 576 GLU HB3 . 18467 1 795 . 1 1 77 77 GLU HG2 H 1 1.977 0.000 . 2 . . . A 576 GLU HG2 . 18467 1 796 . 1 1 77 77 GLU HG3 H 1 2.190 0.007 . 2 . . . A 576 GLU HG3 . 18467 1 797 . 1 1 77 77 GLU CA C 13 54.500 0.047 . 1 . . . A 576 GLU CA . 18467 1 798 . 1 1 77 77 GLU CB C 13 33.422 0.050 . 1 . . . A 576 GLU CB . 18467 1 799 . 1 1 77 77 GLU CG C 13 35.965 0.071 . 1 . . . A 576 GLU CG . 18467 1 800 . 1 1 77 77 GLU N N 15 114.270 0.087 . 1 . . . A 576 GLU N . 18467 1 801 . 1 1 78 78 ILE H H 1 8.514 0.005 . 1 . . . A 577 ILE H . 18467 1 802 . 1 1 78 78 ILE HA H 1 3.570 0.006 . 1 . . . A 577 ILE HA . 18467 1 803 . 1 1 78 78 ILE HB H 1 1.630 0.006 . 1 . . . A 577 ILE HB . 18467 1 804 . 1 1 78 78 ILE HG12 H 1 1.407 0.004 . 2 . . . A 577 ILE HG12 . 18467 1 805 . 1 1 78 78 ILE HG13 H 1 0.864 0.004 . 2 . . . A 577 ILE HG13 . 18467 1 806 . 1 1 78 78 ILE HG21 H 1 0.717 0.006 . 1 . . . A 577 ILE HG21 . 18467 1 807 . 1 1 78 78 ILE HG22 H 1 0.717 0.006 . 1 . . . A 577 ILE HG22 . 18467 1 808 . 1 1 78 78 ILE HG23 H 1 0.717 0.006 . 1 . . . A 577 ILE HG23 . 18467 1 809 . 1 1 78 78 ILE HD11 H 1 0.762 0.006 . 1 . . . A 577 ILE HD11 . 18467 1 810 . 1 1 78 78 ILE HD12 H 1 0.762 0.006 . 1 . . . A 577 ILE HD12 . 18467 1 811 . 1 1 78 78 ILE HD13 H 1 0.762 0.006 . 1 . . . A 577 ILE HD13 . 18467 1 812 . 1 1 78 78 ILE C C 13 174.815 0.000 . 1 . . . A 577 ILE C . 18467 1 813 . 1 1 78 78 ILE CA C 13 62.347 0.055 . 1 . . . A 577 ILE CA . 18467 1 814 . 1 1 78 78 ILE CB C 13 38.390 0.059 . 1 . . . A 577 ILE CB . 18467 1 815 . 1 1 78 78 ILE CG1 C 13 28.755 0.077 . 1 . . . A 577 ILE CG1 . 18467 1 816 . 1 1 78 78 ILE CG2 C 13 16.947 0.088 . 1 . . . A 577 ILE CG2 . 18467 1 817 . 1 1 78 78 ILE CD1 C 13 13.441 0.059 . 1 . . . A 577 ILE CD1 . 18467 1 818 . 1 1 78 78 ILE N N 15 120.961 0.039 . 1 . . . A 577 ILE N . 18467 1 819 . 1 1 79 79 LEU H H 1 7.973 0.003 . 1 . . . A 578 LEU H . 18467 1 820 . 1 1 79 79 LEU HA H 1 4.779 0.005 . 1 . . . A 578 LEU HA . 18467 1 821 . 1 1 79 79 LEU HB2 H 1 1.819 0.007 . 2 . . . A 578 LEU HB2 . 18467 1 822 . 1 1 79 79 LEU HB3 H 1 1.276 0.017 . 2 . . . A 578 LEU HB3 . 18467 1 823 . 1 1 79 79 LEU HG H 1 1.363 0.006 . 1 . . . A 578 LEU HG . 18467 1 824 . 1 1 79 79 LEU HD11 H 1 0.905 0.002 . 2 . . . A 578 LEU HD11 . 18467 1 825 . 1 1 79 79 LEU HD12 H 1 0.905 0.002 . 2 . . . A 578 LEU HD12 . 18467 1 826 . 1 1 79 79 LEU HD13 H 1 0.905 0.002 . 2 . . . A 578 LEU HD13 . 18467 1 827 . 1 1 79 79 LEU HD21 H 1 0.854 0.003 . 2 . . . A 578 LEU HD21 . 18467 1 828 . 1 1 79 79 LEU HD22 H 1 0.854 0.003 . 2 . . . A 578 LEU HD22 . 18467 1 829 . 1 1 79 79 LEU HD23 H 1 0.854 0.003 . 2 . . . A 578 LEU HD23 . 18467 1 830 . 1 1 79 79 LEU C C 13 174.161 0.000 . 1 . . . A 578 LEU C . 18467 1 831 . 1 1 79 79 LEU CA C 13 53.881 0.039 . 1 . . . A 578 LEU CA . 18467 1 832 . 1 1 79 79 LEU CB C 13 44.088 0.021 . 1 . . . A 578 LEU CB . 18467 1 833 . 1 1 79 79 LEU CG C 13 27.193 0.007 . 1 . . . A 578 LEU CG . 18467 1 834 . 1 1 79 79 LEU CD1 C 13 24.456 0.029 . 2 . . . A 578 LEU CD1 . 18467 1 835 . 1 1 79 79 LEU CD2 C 13 26.508 0.099 . 2 . . . A 578 LEU CD2 . 18467 1 836 . 1 1 79 79 LEU N N 15 132.660 0.055 . 1 . . . A 578 LEU N . 18467 1 837 . 1 1 80 80 VAL H H 1 7.968 0.005 . 1 . . . A 579 VAL H . 18467 1 838 . 1 1 80 80 VAL HA H 1 4.767 0.009 . 1 . . . A 579 VAL HA . 18467 1 839 . 1 1 80 80 VAL HB H 1 2.359 0.006 . 1 . . . A 579 VAL HB . 18467 1 840 . 1 1 80 80 VAL HG11 H 1 0.808 0.003 . 2 . . . A 579 VAL HG11 . 18467 1 841 . 1 1 80 80 VAL HG12 H 1 0.808 0.003 . 2 . . . A 579 VAL HG12 . 18467 1 842 . 1 1 80 80 VAL HG13 H 1 0.808 0.003 . 2 . . . A 579 VAL HG13 . 18467 1 843 . 1 1 80 80 VAL HG21 H 1 0.863 0.004 . 2 . . . A 579 VAL HG21 . 18467 1 844 . 1 1 80 80 VAL HG22 H 1 0.863 0.004 . 2 . . . A 579 VAL HG22 . 18467 1 845 . 1 1 80 80 VAL HG23 H 1 0.863 0.004 . 2 . . . A 579 VAL HG23 . 18467 1 846 . 1 1 80 80 VAL C C 13 178.415 0.000 . 1 . . . A 579 VAL C . 18467 1 847 . 1 1 80 80 VAL CA C 13 59.505 0.033 . 1 . . . A 579 VAL CA . 18467 1 848 . 1 1 80 80 VAL CB C 13 33.491 0.053 . 1 . . . A 579 VAL CB . 18467 1 849 . 1 1 80 80 VAL N N 15 118.506 0.070 . 1 . . . A 579 VAL N . 18467 1 850 . 1 1 81 81 SER H H 1 11.091 0.004 . 1 . . . A 580 SER H . 18467 1 851 . 1 1 81 81 SER HA H 1 3.828 0.015 . 1 . . . A 580 SER HA . 18467 1 852 . 1 1 81 81 SER C C 13 177.014 0.000 . 1 . . . A 580 SER C . 18467 1 853 . 1 1 81 81 SER CA C 13 62.856 0.063 . 1 . . . A 580 SER CA . 18467 1 854 . 1 1 81 81 SER CB C 13 62.118 0.000 . 1 . . . A 580 SER CB . 18467 1 855 . 1 1 81 81 SER N N 15 121.910 0.075 . 1 . . . A 580 SER N . 18467 1 856 . 1 1 82 82 GLY H H 1 8.283 0.004 . 1 . . . A 581 GLY H . 18467 1 857 . 1 1 82 82 GLY HA2 H 1 4.023 0.000 . 2 . . . A 581 GLY HA2 . 18467 1 858 . 1 1 82 82 GLY HA3 H 1 3.782 0.000 . 2 . . . A 581 GLY HA3 . 18467 1 859 . 1 1 82 82 GLY C C 13 174.753 0.000 . 1 . . . A 581 GLY C . 18467 1 860 . 1 1 82 82 GLY CA C 13 45.933 0.000 . 1 . . . A 581 GLY CA . 18467 1 861 . 1 1 82 82 GLY N N 15 107.507 0.069 . 1 . . . A 581 GLY N . 18467 1 862 . 1 1 83 83 GLY H H 1 8.244 0.003 . 1 . . . A 582 GLY H . 18467 1 863 . 1 1 83 83 GLY HA2 H 1 4.415 0.005 . 2 . . . A 582 GLY HA2 . 18467 1 864 . 1 1 83 83 GLY HA3 H 1 3.692 0.004 . 2 . . . A 582 GLY HA3 . 18467 1 865 . 1 1 83 83 GLY C C 13 174.383 0.000 . 1 . . . A 582 GLY C . 18467 1 866 . 1 1 83 83 GLY CA C 13 44.437 0.038 . 1 . . . A 582 GLY CA . 18467 1 867 . 1 1 83 83 GLY N N 15 107.844 0.069 . 1 . . . A 582 GLY N . 18467 1 868 . 1 1 84 84 ILE H H 1 7.307 0.003 . 1 . . . A 583 ILE H . 18467 1 869 . 1 1 84 84 ILE HA H 1 3.820 0.005 . 1 . . . A 583 ILE HA . 18467 1 870 . 1 1 84 84 ILE HB H 1 1.734 0.005 . 1 . . . A 583 ILE HB . 18467 1 871 . 1 1 84 84 ILE HG12 H 1 1.853 0.004 . 2 . . . A 583 ILE HG12 . 18467 1 872 . 1 1 84 84 ILE HG13 H 1 0.655 0.001 . 2 . . . A 583 ILE HG13 . 18467 1 873 . 1 1 84 84 ILE HG21 H 1 0.784 0.006 . 1 . . . A 583 ILE HG21 . 18467 1 874 . 1 1 84 84 ILE HG22 H 1 0.784 0.006 . 1 . . . A 583 ILE HG22 . 18467 1 875 . 1 1 84 84 ILE HG23 H 1 0.784 0.006 . 1 . . . A 583 ILE HG23 . 18467 1 876 . 1 1 84 84 ILE HD11 H 1 0.666 0.006 . 1 . . . A 583 ILE HD11 . 18467 1 877 . 1 1 84 84 ILE HD12 H 1 0.666 0.006 . 1 . . . A 583 ILE HD12 . 18467 1 878 . 1 1 84 84 ILE HD13 H 1 0.666 0.006 . 1 . . . A 583 ILE HD13 . 18467 1 879 . 1 1 84 84 ILE C C 13 175.634 0.000 . 1 . . . A 583 ILE C . 18467 1 880 . 1 1 84 84 ILE CA C 13 62.879 0.062 . 1 . . . A 583 ILE CA . 18467 1 881 . 1 1 84 84 ILE CB C 13 39.028 0.000 . 1 . . . A 583 ILE CB . 18467 1 882 . 1 1 84 84 ILE CG1 C 13 27.978 0.054 . 1 . . . A 583 ILE CG1 . 18467 1 883 . 1 1 84 84 ILE CG2 C 13 18.040 0.068 . 1 . . . A 583 ILE CG2 . 18467 1 884 . 1 1 84 84 ILE CD1 C 13 15.704 0.070 . 1 . . . A 583 ILE CD1 . 18467 1 885 . 1 1 84 84 ILE N N 15 120.981 0.078 . 1 . . . A 583 ILE N . 18467 1 886 . 1 1 85 85 GLY H H 1 7.953 0.002 . 1 . . . A 584 GLY H . 18467 1 887 . 1 1 85 85 GLY HA2 H 1 4.015 0.000 . 2 . . . A 584 GLY HA2 . 18467 1 888 . 1 1 85 85 GLY HA3 H 1 3.792 0.005 . 2 . . . A 584 GLY HA3 . 18467 1 889 . 1 1 85 85 GLY C C 13 173.113 0.000 . 1 . . . A 584 GLY C . 18467 1 890 . 1 1 85 85 GLY CA C 13 45.639 0.135 . 1 . . . A 584 GLY CA . 18467 1 891 . 1 1 85 85 GLY N N 15 112.078 0.079 . 1 . . . A 584 GLY N . 18467 1 892 . 1 1 86 86 ALA H H 1 8.295 0.001 . 1 . . . A 585 ALA H . 18467 1 893 . 1 1 86 86 ALA HA H 1 4.312 0.007 . 1 . . . A 585 ALA HA . 18467 1 894 . 1 1 86 86 ALA HB1 H 1 1.433 0.012 . 1 . . . A 585 ALA HB1 . 18467 1 895 . 1 1 86 86 ALA HB2 H 1 1.433 0.012 . 1 . . . A 585 ALA HB2 . 18467 1 896 . 1 1 86 86 ALA HB3 H 1 1.433 0.012 . 1 . . . A 585 ALA HB3 . 18467 1 897 . 1 1 86 86 ALA C C 13 177.336 0.000 . 1 . . . A 585 ALA C . 18467 1 898 . 1 1 86 86 ALA CA C 13 54.080 0.017 . 1 . . . A 585 ALA CA . 18467 1 899 . 1 1 86 86 ALA CB C 13 19.745 0.000 . 1 . . . A 585 ALA CB . 18467 1 900 . 1 1 86 86 ALA N N 15 125.109 0.049 . 1 . . . A 585 ALA N . 18467 1 901 . 1 1 87 87 LEU H H 1 7.801 0.004 . 1 . . . A 586 LEU H . 18467 1 902 . 1 1 87 87 LEU HA H 1 4.716 0.006 . 1 . . . A 586 LEU HA . 18467 1 903 . 1 1 87 87 LEU HB2 H 1 1.584 0.006 . 2 . . . A 586 LEU HB2 . 18467 1 904 . 1 1 87 87 LEU HB3 H 1 1.584 0.006 . 2 . . . A 586 LEU HB3 . 18467 1 905 . 1 1 87 87 LEU HG H 1 1.349 0.002 . 1 . . . A 586 LEU HG . 18467 1 906 . 1 1 87 87 LEU HD11 H 1 0.790 0.003 . 2 . . . A 586 LEU HD11 . 18467 1 907 . 1 1 87 87 LEU HD12 H 1 0.790 0.003 . 2 . . . A 586 LEU HD12 . 18467 1 908 . 1 1 87 87 LEU HD13 H 1 0.790 0.003 . 2 . . . A 586 LEU HD13 . 18467 1 909 . 1 1 87 87 LEU HD21 H 1 0.772 0.003 . 2 . . . A 586 LEU HD21 . 18467 1 910 . 1 1 87 87 LEU HD22 H 1 0.772 0.003 . 2 . . . A 586 LEU HD22 . 18467 1 911 . 1 1 87 87 LEU HD23 H 1 0.772 0.003 . 2 . . . A 586 LEU HD23 . 18467 1 912 . 1 1 87 87 LEU C C 13 175.578 0.000 . 1 . . . A 586 LEU C . 18467 1 913 . 1 1 87 87 LEU CA C 13 56.100 0.043 . 1 . . . A 586 LEU CA . 18467 1 914 . 1 1 87 87 LEU CB C 13 43.651 0.000 . 1 . . . A 586 LEU CB . 18467 1 915 . 1 1 87 87 LEU CG C 13 27.650 0.000 . 1 . . . A 586 LEU CG . 18467 1 916 . 1 1 87 87 LEU CD1 C 13 24.337 0.021 . 2 . . . A 586 LEU CD1 . 18467 1 917 . 1 1 87 87 LEU CD2 C 13 25.278 0.000 . 2 . . . A 586 LEU CD2 . 18467 1 918 . 1 1 87 87 LEU N N 15 118.488 0.044 . 1 . . . A 586 LEU N . 18467 1 919 . 1 1 88 88 VAL H H 1 9.510 0.003 . 1 . . . A 587 VAL H . 18467 1 920 . 1 1 88 88 VAL HA H 1 4.308 0.004 . 1 . . . A 587 VAL HA . 18467 1 921 . 1 1 88 88 VAL HB H 1 1.954 0.003 . 1 . . . A 587 VAL HB . 18467 1 922 . 1 1 88 88 VAL HG11 H 1 0.934 0.005 . 2 . . . A 587 VAL HG11 . 18467 1 923 . 1 1 88 88 VAL HG12 H 1 0.934 0.005 . 2 . . . A 587 VAL HG12 . 18467 1 924 . 1 1 88 88 VAL HG13 H 1 0.934 0.005 . 2 . . . A 587 VAL HG13 . 18467 1 925 . 1 1 88 88 VAL HG21 H 1 1.068 0.007 . 2 . . . A 587 VAL HG21 . 18467 1 926 . 1 1 88 88 VAL HG22 H 1 1.068 0.007 . 2 . . . A 587 VAL HG22 . 18467 1 927 . 1 1 88 88 VAL HG23 H 1 1.068 0.007 . 2 . . . A 587 VAL HG23 . 18467 1 928 . 1 1 88 88 VAL C C 13 174.142 0.000 . 1 . . . A 587 VAL C . 18467 1 929 . 1 1 88 88 VAL CA C 13 61.428 0.115 . 1 . . . A 587 VAL CA . 18467 1 930 . 1 1 88 88 VAL CB C 13 35.784 0.088 . 1 . . . A 587 VAL CB . 18467 1 931 . 1 1 88 88 VAL CG1 C 13 21.599 0.034 . 2 . . . A 587 VAL CG1 . 18467 1 932 . 1 1 88 88 VAL CG2 C 13 22.098 0.000 . 2 . . . A 587 VAL CG2 . 18467 1 933 . 1 1 88 88 VAL N N 15 127.976 0.087 . 1 . . . A 587 VAL N . 18467 1 934 . 1 1 89 89 ARG H H 1 8.622 0.002 . 1 . . . A 588 ARG H . 18467 1 935 . 1 1 89 89 ARG HA H 1 5.257 0.006 . 1 . . . A 588 ARG HA . 18467 1 936 . 1 1 89 89 ARG HB2 H 1 1.826 0.000 . 2 . . . A 588 ARG HB2 . 18467 1 937 . 1 1 89 89 ARG HB3 H 1 1.440 0.005 . 2 . . . A 588 ARG HB3 . 18467 1 938 . 1 1 89 89 ARG C C 13 175.003 0.000 . 1 . . . A 588 ARG C . 18467 1 939 . 1 1 89 89 ARG CA C 13 54.807 0.035 . 1 . . . A 588 ARG CA . 18467 1 940 . 1 1 89 89 ARG N N 15 125.359 0.056 . 1 . . . A 588 ARG N . 18467 1 941 . 1 1 90 90 LEU H H 1 8.830 0.005 . 1 . . . A 589 LEU H . 18467 1 942 . 1 1 90 90 LEU HA H 1 4.572 0.005 . 1 . . . A 589 LEU HA . 18467 1 943 . 1 1 90 90 LEU HB2 H 1 1.326 0.002 . 2 . . . A 589 LEU HB2 . 18467 1 944 . 1 1 90 90 LEU HB3 H 1 1.772 0.008 . 2 . . . A 589 LEU HB3 . 18467 1 945 . 1 1 90 90 LEU HG H 1 1.587 0.005 . 1 . . . A 589 LEU HG . 18467 1 946 . 1 1 90 90 LEU HD11 H 1 1.025 0.003 . 2 . . . A 589 LEU HD11 . 18467 1 947 . 1 1 90 90 LEU HD12 H 1 1.025 0.003 . 2 . . . A 589 LEU HD12 . 18467 1 948 . 1 1 90 90 LEU HD13 H 1 1.025 0.003 . 2 . . . A 589 LEU HD13 . 18467 1 949 . 1 1 90 90 LEU HD21 H 1 1.073 0.005 . 2 . . . A 589 LEU HD21 . 18467 1 950 . 1 1 90 90 LEU HD22 H 1 1.073 0.005 . 2 . . . A 589 LEU HD22 . 18467 1 951 . 1 1 90 90 LEU HD23 H 1 1.073 0.005 . 2 . . . A 589 LEU HD23 . 18467 1 952 . 1 1 90 90 LEU C C 13 174.955 0.000 . 1 . . . A 589 LEU C . 18467 1 953 . 1 1 90 90 LEU CA C 13 53.115 0.019 . 1 . . . A 589 LEU CA . 18467 1 954 . 1 1 90 90 LEU CB C 13 46.021 0.098 . 1 . . . A 589 LEU CB . 18467 1 955 . 1 1 90 90 LEU CG C 13 26.622 0.206 . 1 . . . A 589 LEU CG . 18467 1 956 . 1 1 90 90 LEU CD1 C 13 26.350 0.012 . 2 . . . A 589 LEU CD1 . 18467 1 957 . 1 1 90 90 LEU CD2 C 13 24.633 0.040 . 2 . . . A 589 LEU CD2 . 18467 1 958 . 1 1 90 90 LEU N N 15 127.862 0.064 . 1 . . . A 589 LEU N . 18467 1 959 . 1 1 91 91 LYS H H 1 9.429 0.004 . 1 . . . A 590 LYS H . 18467 1 960 . 1 1 91 91 LYS HA H 1 4.062 0.006 . 1 . . . A 590 LYS HA . 18467 1 961 . 1 1 91 91 LYS HB2 H 1 2.108 0.006 . 2 . . . A 590 LYS HB2 . 18467 1 962 . 1 1 91 91 LYS HB3 H 1 1.692 0.004 . 2 . . . A 590 LYS HB3 . 18467 1 963 . 1 1 91 91 LYS HG2 H 1 1.423 0.002 . 2 . . . A 590 LYS HG2 . 18467 1 964 . 1 1 91 91 LYS HG3 H 1 1.704 0.000 . 2 . . . A 590 LYS HG3 . 18467 1 965 . 1 1 91 91 LYS HD2 H 1 1.802 0.000 . 2 . . . A 590 LYS HD2 . 18467 1 966 . 1 1 91 91 LYS HD3 H 1 1.802 0.000 . 2 . . . A 590 LYS HD3 . 18467 1 967 . 1 1 91 91 LYS HE2 H 1 3.145 0.001 . 2 . . . A 590 LYS HE2 . 18467 1 968 . 1 1 91 91 LYS HE3 H 1 3.145 0.001 . 2 . . . A 590 LYS HE3 . 18467 1 969 . 1 1 91 91 LYS C C 13 174.635 0.000 . 1 . . . A 590 LYS C . 18467 1 970 . 1 1 91 91 LYS CA C 13 58.307 0.077 . 1 . . . A 590 LYS CA . 18467 1 971 . 1 1 91 91 LYS CB C 13 32.514 0.064 . 1 . . . A 590 LYS CB . 18467 1 972 . 1 1 91 91 LYS CG C 13 25.175 0.000 . 1 . . . A 590 LYS CG . 18467 1 973 . 1 1 91 91 LYS CD C 13 29.641 0.000 . 1 . . . A 590 LYS CD . 18467 1 974 . 1 1 91 91 LYS N N 15 129.215 0.121 . 1 . . . A 590 LYS N . 18467 1 975 . 1 1 92 92 SER H H 1 7.995 0.005 . 1 . . . A 591 SER H . 18467 1 976 . 1 1 92 92 SER HA H 1 5.581 0.006 . 1 . . . A 591 SER HA . 18467 1 977 . 1 1 92 92 SER HB2 H 1 4.822 0.004 . 2 . . . A 591 SER HB2 . 18467 1 978 . 1 1 92 92 SER HB3 H 1 3.819 0.010 . 2 . . . A 591 SER HB3 . 18467 1 979 . 1 1 92 92 SER HG H 1 5.571 0.007 . 1 . . . A 591 SER HG . 18467 1 980 . 1 1 92 92 SER C C 13 178.007 0.000 . 1 . . . A 591 SER C . 18467 1 981 . 1 1 92 92 SER CA C 13 58.234 0.045 . 1 . . . A 591 SER CA . 18467 1 982 . 1 1 92 92 SER CB C 13 67.287 0.024 . 1 . . . A 591 SER CB . 18467 1 983 . 1 1 92 92 SER N N 15 121.512 0.058 . 1 . . . A 591 SER N . 18467 1 984 . 1 1 93 93 LEU H H 1 9.336 0.004 . 1 . . . A 592 LEU H . 18467 1 985 . 1 1 93 93 LEU HA H 1 4.300 0.004 . 1 . . . A 592 LEU HA . 18467 1 986 . 1 1 93 93 LEU HB2 H 1 2.059 0.016 . 2 . . . A 592 LEU HB2 . 18467 1 987 . 1 1 93 93 LEU HB3 H 1 1.650 0.004 . 2 . . . A 592 LEU HB3 . 18467 1 988 . 1 1 93 93 LEU HG H 1 1.955 0.005 . 1 . . . A 592 LEU HG . 18467 1 989 . 1 1 93 93 LEU HD11 H 1 1.016 0.004 . 2 . . . A 592 LEU HD11 . 18467 1 990 . 1 1 93 93 LEU HD12 H 1 1.016 0.004 . 2 . . . A 592 LEU HD12 . 18467 1 991 . 1 1 93 93 LEU HD13 H 1 1.016 0.004 . 2 . . . A 592 LEU HD13 . 18467 1 992 . 1 1 93 93 LEU HD21 H 1 0.948 0.003 . 2 . . . A 592 LEU HD21 . 18467 1 993 . 1 1 93 93 LEU HD22 H 1 0.948 0.003 . 2 . . . A 592 LEU HD22 . 18467 1 994 . 1 1 93 93 LEU HD23 H 1 0.948 0.003 . 2 . . . A 592 LEU HD23 . 18467 1 995 . 1 1 93 93 LEU C C 13 178.518 0.000 . 1 . . . A 592 LEU C . 18467 1 996 . 1 1 93 93 LEU CA C 13 57.245 0.012 . 1 . . . A 592 LEU CA . 18467 1 997 . 1 1 93 93 LEU CB C 13 41.313 0.073 . 1 . . . A 592 LEU CB . 18467 1 998 . 1 1 93 93 LEU CG C 13 27.624 0.012 . 1 . . . A 592 LEU CG . 18467 1 999 . 1 1 93 93 LEU CD1 C 13 22.153 0.074 . 2 . . . A 592 LEU CD1 . 18467 1 1000 . 1 1 93 93 LEU CD2 C 13 24.641 0.000 . 2 . . . A 592 LEU CD2 . 18467 1 1001 . 1 1 93 93 LEU N N 15 121.124 0.066 . 1 . . . A 592 LEU N . 18467 1 1002 . 1 1 94 94 GLN H H 1 7.491 0.003 . 1 . . . A 593 GLN H . 18467 1 1003 . 1 1 94 94 GLN HA H 1 4.249 0.006 . 1 . . . A 593 GLN HA . 18467 1 1004 . 1 1 94 94 GLN HB2 H 1 2.436 0.008 . 2 . . . A 593 GLN HB2 . 18467 1 1005 . 1 1 94 94 GLN HB3 H 1 2.080 0.004 . 2 . . . A 593 GLN HB3 . 18467 1 1006 . 1 1 94 94 GLN HG2 H 1 2.589 0.005 . 2 . . . A 593 GLN HG2 . 18467 1 1007 . 1 1 94 94 GLN HG3 H 1 2.589 0.005 . 2 . . . A 593 GLN HG3 . 18467 1 1008 . 1 1 94 94 GLN HE21 H 1 7.080 0.003 . 2 . . . A 593 GLN HE21 . 18467 1 1009 . 1 1 94 94 GLN HE22 H 1 6.492 0.003 . 2 . . . A 593 GLN HE22 . 18467 1 1010 . 1 1 94 94 GLN C C 13 176.082 0.000 . 1 . . . A 593 GLN C . 18467 1 1011 . 1 1 94 94 GLN CA C 13 56.540 0.000 . 1 . . . A 593 GLN CA . 18467 1 1012 . 1 1 94 94 GLN CB C 13 27.654 0.086 . 1 . . . A 593 GLN CB . 18467 1 1013 . 1 1 94 94 GLN CG C 13 31.973 0.081 . 1 . . . A 593 GLN CG . 18467 1 1014 . 1 1 94 94 GLN N N 15 118.739 0.072 . 1 . . . A 593 GLN N . 18467 1 1015 . 1 1 94 94 GLN NE2 N 15 107.366 0.041 . 1 . . . A 593 GLN NE2 . 18467 1 1016 . 1 1 95 95 GLY H H 1 7.631 0.003 . 1 . . . A 594 GLY H . 18467 1 1017 . 1 1 95 95 GLY HA2 H 1 3.401 0.006 . 2 . . . A 594 GLY HA2 . 18467 1 1018 . 1 1 95 95 GLY HA3 H 1 4.618 0.004 . 2 . . . A 594 GLY HA3 . 18467 1 1019 . 1 1 95 95 GLY C C 13 174.393 0.000 . 1 . . . A 594 GLY C . 18467 1 1020 . 1 1 95 95 GLY CA C 13 45.457 0.021 . 1 . . . A 594 GLY CA . 18467 1 1021 . 1 1 95 95 GLY N N 15 109.382 0.046 . 1 . . . A 594 GLY N . 18467 1 1022 . 1 1 96 96 ASP H H 1 8.650 0.004 . 1 . . . A 595 ASP H . 18467 1 1023 . 1 1 96 96 ASP HA H 1 4.863 0.004 . 1 . . . A 595 ASP HA . 18467 1 1024 . 1 1 96 96 ASP HB2 H 1 2.957 0.003 . 2 . . . A 595 ASP HB2 . 18467 1 1025 . 1 1 96 96 ASP HB3 H 1 2.847 0.005 . 2 . . . A 595 ASP HB3 . 18467 1 1026 . 1 1 96 96 ASP C C 13 177.273 0.000 . 1 . . . A 595 ASP C . 18467 1 1027 . 1 1 96 96 ASP CA C 13 54.520 0.023 . 1 . . . A 595 ASP CA . 18467 1 1028 . 1 1 96 96 ASP CB C 13 41.277 0.000 . 1 . . . A 595 ASP CB . 18467 1 1029 . 1 1 96 96 ASP N N 15 121.087 0.046 . 1 . . . A 595 ASP N . 18467 1 1030 . 1 1 97 97 LYS H H 1 9.028 0.003 . 1 . . . A 596 LYS H . 18467 1 1031 . 1 1 97 97 LYS HA H 1 5.025 0.005 . 1 . . . A 596 LYS HA . 18467 1 1032 . 1 1 97 97 LYS HB2 H 1 1.854 0.006 . 2 . . . A 596 LYS HB2 . 18467 1 1033 . 1 1 97 97 LYS HB3 H 1 1.518 0.006 . 2 . . . A 596 LYS HB3 . 18467 1 1034 . 1 1 97 97 LYS HG2 H 1 1.616 0.001 . 2 . . . A 596 LYS HG2 . 18467 1 1035 . 1 1 97 97 LYS HG3 H 1 1.296 0.000 . 2 . . . A 596 LYS HG3 . 18467 1 1036 . 1 1 97 97 LYS HD2 H 1 1.618 0.000 . 2 . . . A 596 LYS HD2 . 18467 1 1037 . 1 1 97 97 LYS HD3 H 1 1.618 0.000 . 2 . . . A 596 LYS HD3 . 18467 1 1038 . 1 1 97 97 LYS HE2 H 1 3.019 0.002 . 2 . . . A 596 LYS HE2 . 18467 1 1039 . 1 1 97 97 LYS HE3 H 1 3.019 0.002 . 2 . . . A 596 LYS HE3 . 18467 1 1040 . 1 1 97 97 LYS C C 13 176.566 0.000 . 1 . . . A 596 LYS C . 18467 1 1041 . 1 1 97 97 LYS CA C 13 56.274 0.080 . 1 . . . A 596 LYS CA . 18467 1 1042 . 1 1 97 97 LYS CB C 13 33.771 0.064 . 1 . . . A 596 LYS CB . 18467 1 1043 . 1 1 97 97 LYS CG C 13 25.974 0.000 . 1 . . . A 596 LYS CG . 18467 1 1044 . 1 1 97 97 LYS CD C 13 29.502 0.000 . 1 . . . A 596 LYS CD . 18467 1 1045 . 1 1 97 97 LYS N N 15 119.713 0.065 . 1 . . . A 596 LYS N . 18467 1 1046 . 1 1 98 98 LEU H H 1 9.336 0.005 . 1 . . . A 597 LEU H . 18467 1 1047 . 1 1 98 98 LEU HA H 1 4.398 0.006 . 1 . . . A 597 LEU HA . 18467 1 1048 . 1 1 98 98 LEU HB2 H 1 1.538 0.006 . 2 . . . A 597 LEU HB2 . 18467 1 1049 . 1 1 98 98 LEU HB3 H 1 0.827 0.005 . 2 . . . A 597 LEU HB3 . 18467 1 1050 . 1 1 98 98 LEU HG H 1 1.205 0.004 . 1 . . . A 597 LEU HG . 18467 1 1051 . 1 1 98 98 LEU HD11 H 1 0.608 0.005 . 2 . . . A 597 LEU HD11 . 18467 1 1052 . 1 1 98 98 LEU HD12 H 1 0.608 0.005 . 2 . . . A 597 LEU HD12 . 18467 1 1053 . 1 1 98 98 LEU HD13 H 1 0.608 0.005 . 2 . . . A 597 LEU HD13 . 18467 1 1054 . 1 1 98 98 LEU HD21 H 1 0.094 0.004 . 2 . . . A 597 LEU HD21 . 18467 1 1055 . 1 1 98 98 LEU HD22 H 1 0.094 0.004 . 2 . . . A 597 LEU HD22 . 18467 1 1056 . 1 1 98 98 LEU HD23 H 1 0.094 0.004 . 2 . . . A 597 LEU HD23 . 18467 1 1057 . 1 1 98 98 LEU C C 13 176.144 0.000 . 1 . . . A 597 LEU C . 18467 1 1058 . 1 1 98 98 LEU CA C 13 53.899 0.033 . 1 . . . A 597 LEU CA . 18467 1 1059 . 1 1 98 98 LEU CB C 13 45.148 0.148 . 1 . . . A 597 LEU CB . 18467 1 1060 . 1 1 98 98 LEU CG C 13 27.146 0.028 . 1 . . . A 597 LEU CG . 18467 1 1061 . 1 1 98 98 LEU CD1 C 13 24.439 0.072 . 2 . . . A 597 LEU CD1 . 18467 1 1062 . 1 1 98 98 LEU CD2 C 13 22.546 0.043 . 2 . . . A 597 LEU CD2 . 18467 1 1063 . 1 1 98 98 LEU N N 15 125.754 0.054 . 1 . . . A 597 LEU N . 18467 1 1064 . 1 1 99 99 GLU H H 1 8.368 0.004 . 1 . . . A 598 GLU H . 18467 1 1065 . 1 1 99 99 GLU HA H 1 4.662 0.005 . 1 . . . A 598 GLU HA . 18467 1 1066 . 1 1 99 99 GLU HB2 H 1 1.921 0.002 . 1 . . . A 598 GLU HB2 . 18467 1 1067 . 1 1 99 99 GLU HB3 H 1 1.921 0.002 . 1 . . . A 598 GLU HB3 . 18467 1 1068 . 1 1 99 99 GLU HG2 H 1 2.265 0.003 . 1 . . . A 598 GLU HG2 . 18467 1 1069 . 1 1 99 99 GLU HG3 H 1 2.265 0.003 . 1 . . . A 598 GLU HG3 . 18467 1 1070 . 1 1 99 99 GLU C C 13 175.132 0.000 . 1 . . . A 598 GLU C . 18467 1 1071 . 1 1 99 99 GLU CA C 13 55.714 0.031 . 1 . . . A 598 GLU CA . 18467 1 1072 . 1 1 99 99 GLU CB C 13 30.542 0.000 . 1 . . . A 598 GLU CB . 18467 1 1073 . 1 1 99 99 GLU N N 15 121.101 0.106 . 1 . . . A 598 GLU N . 18467 1 1074 . 1 1 100 100 VAL H H 1 9.337 0.003 . 1 . . . A 599 VAL H . 18467 1 1075 . 1 1 100 100 VAL HA H 1 5.046 0.012 . 1 . . . A 599 VAL HA . 18467 1 1076 . 1 1 100 100 VAL HB H 1 1.962 0.005 . 1 . . . A 599 VAL HB . 18467 1 1077 . 1 1 100 100 VAL HG11 H 1 0.862 0.004 . 2 . . . A 599 VAL HG11 . 18467 1 1078 . 1 1 100 100 VAL HG12 H 1 0.862 0.004 . 2 . . . A 599 VAL HG12 . 18467 1 1079 . 1 1 100 100 VAL HG13 H 1 0.862 0.004 . 2 . . . A 599 VAL HG13 . 18467 1 1080 . 1 1 100 100 VAL HG21 H 1 0.736 0.004 . 2 . . . A 599 VAL HG21 . 18467 1 1081 . 1 1 100 100 VAL HG22 H 1 0.736 0.004 . 2 . . . A 599 VAL HG22 . 18467 1 1082 . 1 1 100 100 VAL HG23 H 1 0.736 0.004 . 2 . . . A 599 VAL HG23 . 18467 1 1083 . 1 1 100 100 VAL C C 13 173.759 0.000 . 1 . . . A 599 VAL C . 18467 1 1084 . 1 1 100 100 VAL CA C 13 61.081 0.069 . 1 . . . A 599 VAL CA . 18467 1 1085 . 1 1 100 100 VAL CB C 13 32.873 0.026 . 1 . . . A 599 VAL CB . 18467 1 1086 . 1 1 100 100 VAL CG1 C 13 22.307 0.046 . 2 . . . A 599 VAL CG1 . 18467 1 1087 . 1 1 100 100 VAL CG2 C 13 21.473 0.047 . 2 . . . A 599 VAL CG2 . 18467 1 1088 . 1 1 100 100 VAL N N 15 130.595 0.052 . 1 . . . A 599 VAL N . 18467 1 1089 . 1 1 101 101 SER H H 1 9.033 0.007 . 1 . . . A 600 SER H . 18467 1 1090 . 1 1 101 101 SER HA H 1 4.943 0.004 . 1 . . . A 600 SER HA . 18467 1 1091 . 1 1 101 101 SER HB2 H 1 3.747 0.006 . 2 . . . A 600 SER HB2 . 18467 1 1092 . 1 1 101 101 SER HB3 H 1 3.606 0.013 . 2 . . . A 600 SER HB3 . 18467 1 1093 . 1 1 101 101 SER C C 13 171.934 0.000 . 1 . . . A 600 SER C . 18467 1 1094 . 1 1 101 101 SER CA C 13 56.540 0.034 . 1 . . . A 600 SER CA . 18467 1 1095 . 1 1 101 101 SER CB C 13 67.405 0.000 . 1 . . . A 600 SER CB . 18467 1 1096 . 1 1 101 101 SER N N 15 119.887 0.070 . 1 . . . A 600 SER N . 18467 1 1097 . 1 1 102 102 LEU H H 1 7.930 0.003 . 1 . . . A 601 LEU H . 18467 1 1098 . 1 1 102 102 LEU HA H 1 5.047 0.005 . 1 . . . A 601 LEU HA . 18467 1 1099 . 1 1 102 102 LEU HB2 H 1 1.194 0.007 . 2 . . . A 601 LEU HB2 . 18467 1 1100 . 1 1 102 102 LEU HB3 H 1 1.676 0.006 . 2 . . . A 601 LEU HB3 . 18467 1 1101 . 1 1 102 102 LEU HG H 1 1.299 0.004 . 1 . . . A 601 LEU HG . 18467 1 1102 . 1 1 102 102 LEU HD11 H 1 0.696 0.006 . 2 . . . A 601 LEU HD11 . 18467 1 1103 . 1 1 102 102 LEU HD12 H 1 0.696 0.006 . 2 . . . A 601 LEU HD12 . 18467 1 1104 . 1 1 102 102 LEU HD13 H 1 0.696 0.006 . 2 . . . A 601 LEU HD13 . 18467 1 1105 . 1 1 102 102 LEU HD21 H 1 0.889 0.005 . 2 . . . A 601 LEU HD21 . 18467 1 1106 . 1 1 102 102 LEU HD22 H 1 0.889 0.005 . 2 . . . A 601 LEU HD22 . 18467 1 1107 . 1 1 102 102 LEU HD23 H 1 0.889 0.005 . 2 . . . A 601 LEU HD23 . 18467 1 1108 . 1 1 102 102 LEU C C 13 175.767 0.000 . 1 . . . A 601 LEU C . 18467 1 1109 . 1 1 102 102 LEU CA C 13 54.324 0.059 . 1 . . . A 601 LEU CA . 18467 1 1110 . 1 1 102 102 LEU CB C 13 45.374 0.000 . 1 . . . A 601 LEU CB . 18467 1 1111 . 1 1 102 102 LEU CG C 13 27.636 0.000 . 1 . . . A 601 LEU CG . 18467 1 1112 . 1 1 102 102 LEU CD1 C 13 24.195 0.075 . 2 . . . A 601 LEU CD1 . 18467 1 1113 . 1 1 102 102 LEU CD2 C 13 26.068 0.080 . 2 . . . A 601 LEU CD2 . 18467 1 1114 . 1 1 102 102 LEU N N 15 123.007 0.059 . 1 . . . A 601 LEU N . 18467 1 1115 . 1 1 103 103 LYS H H 1 8.335 0.006 . 1 . . . A 602 LYS H . 18467 1 1116 . 1 1 103 103 LYS HA H 1 4.457 0.004 . 1 . . . A 602 LYS HA . 18467 1 1117 . 1 1 103 103 LYS HB2 H 1 1.719 0.008 . 2 . . . A 602 LYS HB2 . 18467 1 1118 . 1 1 103 103 LYS HB3 H 1 1.719 0.008 . 2 . . . A 602 LYS HB3 . 18467 1 1119 . 1 1 103 103 LYS HG2 H 1 1.296 0.000 . 2 . . . A 602 LYS HG2 . 18467 1 1120 . 1 1 103 103 LYS HG3 H 1 1.370 0.000 . 2 . . . A 602 LYS HG3 . 18467 1 1121 . 1 1 103 103 LYS HD2 H 1 1.653 0.002 . 2 . . . A 602 LYS HD2 . 18467 1 1122 . 1 1 103 103 LYS HD3 H 1 1.653 0.002 . 2 . . . A 602 LYS HD3 . 18467 1 1123 . 1 1 103 103 LYS HE2 H 1 2.960 0.002 . 2 . . . A 602 LYS HE2 . 18467 1 1124 . 1 1 103 103 LYS HE3 H 1 2.960 0.002 . 2 . . . A 602 LYS HE3 . 18467 1 1125 . 1 1 103 103 LYS CA C 13 55.707 0.008 . 1 . . . A 602 LYS CA . 18467 1 1126 . 1 1 103 103 LYS CB C 13 35.032 0.033 . 1 . . . A 602 LYS CB . 18467 1 1127 . 1 1 103 103 LYS CG C 13 24.940 0.000 . 1 . . . A 602 LYS CG . 18467 1 1128 . 1 1 103 103 LYS CD C 13 29.158 0.030 . 1 . . . A 602 LYS CD . 18467 1 1129 . 1 1 103 103 LYS CE C 13 42.209 0.026 . 1 . . . A 602 LYS CE . 18467 1 1130 . 1 1 103 103 LYS N N 15 126.480 0.088 . 1 . . . A 602 LYS N . 18467 1 1131 . 1 1 104 104 ASN HA H 1 4.296 0.005 . 1 . . . A 603 ASN HA . 18467 1 1132 . 1 1 104 104 ASN HB2 H 1 2.991 0.005 . 2 . . . A 603 ASN HB2 . 18467 1 1133 . 1 1 104 104 ASN HB3 H 1 2.766 0.005 . 2 . . . A 603 ASN HB3 . 18467 1 1134 . 1 1 104 104 ASN C C 13 174.156 0.000 . 1 . . . A 603 ASN C . 18467 1 1135 . 1 1 104 104 ASN CA C 13 54.724 0.071 . 1 . . . A 603 ASN CA . 18467 1 1136 . 1 1 104 104 ASN CB C 13 37.168 0.113 . 1 . . . A 603 ASN CB . 18467 1 1137 . 1 1 105 105 ASN H H 1 8.682 0.004 . 1 . . . A 604 ASN H . 18467 1 1138 . 1 1 105 105 ASN HA H 1 4.167 0.003 . 1 . . . A 604 ASN HA . 18467 1 1139 . 1 1 105 105 ASN HB2 H 1 3.086 0.006 . 2 . . . A 604 ASN HB2 . 18467 1 1140 . 1 1 105 105 ASN HB3 H 1 2.971 0.005 . 2 . . . A 604 ASN HB3 . 18467 1 1141 . 1 1 105 105 ASN C C 13 173.754 0.000 . 1 . . . A 604 ASN C . 18467 1 1142 . 1 1 105 105 ASN CA C 13 55.146 0.039 . 1 . . . A 604 ASN CA . 18467 1 1143 . 1 1 105 105 ASN CB C 13 38.249 0.038 . 1 . . . A 604 ASN CB . 18467 1 1144 . 1 1 105 105 ASN N N 15 108.763 0.046 . 1 . . . A 604 ASN N . 18467 1 1145 . 1 1 106 106 VAL H H 1 7.906 0.002 . 1 . . . A 605 VAL H . 18467 1 1146 . 1 1 106 106 VAL HA H 1 4.285 0.004 . 1 . . . A 605 VAL HA . 18467 1 1147 . 1 1 106 106 VAL HB H 1 2.107 0.004 . 1 . . . A 605 VAL HB . 18467 1 1148 . 1 1 106 106 VAL HG11 H 1 0.931 0.005 . 2 . . . A 605 VAL HG11 . 18467 1 1149 . 1 1 106 106 VAL HG12 H 1 0.931 0.005 . 2 . . . A 605 VAL HG12 . 18467 1 1150 . 1 1 106 106 VAL HG13 H 1 0.931 0.005 . 2 . . . A 605 VAL HG13 . 18467 1 1151 . 1 1 106 106 VAL HG21 H 1 0.963 0.003 . 2 . . . A 605 VAL HG21 . 18467 1 1152 . 1 1 106 106 VAL HG22 H 1 0.963 0.003 . 2 . . . A 605 VAL HG22 . 18467 1 1153 . 1 1 106 106 VAL HG23 H 1 0.963 0.003 . 2 . . . A 605 VAL HG23 . 18467 1 1154 . 1 1 106 106 VAL C C 13 176.332 0.000 . 1 . . . A 605 VAL C . 18467 1 1155 . 1 1 106 106 VAL CA C 13 62.112 0.030 . 1 . . . A 605 VAL CA . 18467 1 1156 . 1 1 106 106 VAL CB C 13 34.425 0.036 . 1 . . . A 605 VAL CB . 18467 1 1157 . 1 1 106 106 VAL CG1 C 13 21.186 0.079 . 1 . . . A 605 VAL CG1 . 18467 1 1158 . 1 1 106 106 VAL CG2 C 13 21.186 0.079 . 1 . . . A 605 VAL CG2 . 18467 1 1159 . 1 1 106 106 VAL N N 15 121.612 0.019 . 1 . . . A 605 VAL N . 18467 1 1160 . 1 1 107 107 VAL H H 1 9.422 0.005 . 1 . . . A 606 VAL H . 18467 1 1161 . 1 1 107 107 VAL HA H 1 4.615 0.005 . 1 . . . A 606 VAL HA . 18467 1 1162 . 1 1 107 107 VAL HB H 1 1.811 0.007 . 1 . . . A 606 VAL HB . 18467 1 1163 . 1 1 107 107 VAL HG11 H 1 0.815 0.004 . 2 . . . A 606 VAL HG11 . 18467 1 1164 . 1 1 107 107 VAL HG12 H 1 0.815 0.004 . 2 . . . A 606 VAL HG12 . 18467 1 1165 . 1 1 107 107 VAL HG13 H 1 0.815 0.004 . 2 . . . A 606 VAL HG13 . 18467 1 1166 . 1 1 107 107 VAL HG21 H 1 0.620 0.008 . 2 . . . A 606 VAL HG21 . 18467 1 1167 . 1 1 107 107 VAL HG22 H 1 0.620 0.008 . 2 . . . A 606 VAL HG22 . 18467 1 1168 . 1 1 107 107 VAL HG23 H 1 0.620 0.008 . 2 . . . A 606 VAL HG23 . 18467 1 1169 . 1 1 107 107 VAL C C 13 174.697 0.000 . 1 . . . A 606 VAL C . 18467 1 1170 . 1 1 107 107 VAL CA C 13 61.712 0.073 . 1 . . . A 606 VAL CA . 18467 1 1171 . 1 1 107 107 VAL CB C 13 32.254 0.007 . 1 . . . A 606 VAL CB . 18467 1 1172 . 1 1 107 107 VAL CG1 C 13 22.807 0.082 . 2 . . . A 606 VAL CG1 . 18467 1 1173 . 1 1 107 107 VAL CG2 C 13 21.624 0.000 . 2 . . . A 606 VAL CG2 . 18467 1 1174 . 1 1 107 107 VAL N N 15 133.233 0.041 . 1 . . . A 606 VAL N . 18467 1 1175 . 1 1 108 108 SER H H 1 9.113 0.003 . 1 . . . A 607 SER H . 18467 1 1176 . 1 1 108 108 SER HA H 1 5.360 0.011 . 1 . . . A 607 SER HA . 18467 1 1177 . 1 1 108 108 SER HB2 H 1 3.325 0.011 . 2 . . . A 607 SER HB2 . 18467 1 1178 . 1 1 108 108 SER HB3 H 1 3.241 0.031 . 2 . . . A 607 SER HB3 . 18467 1 1179 . 1 1 108 108 SER C C 13 171.938 0.000 . 1 . . . A 607 SER C . 18467 1 1180 . 1 1 108 108 SER CA C 13 57.031 0.048 . 1 . . . A 607 SER CA . 18467 1 1181 . 1 1 108 108 SER CB C 13 66.490 0.000 . 1 . . . A 607 SER CB . 18467 1 1182 . 1 1 108 108 SER N N 15 120.829 0.104 . 1 . . . A 607 SER N . 18467 1 1183 . 1 1 109 109 VAL H H 1 9.120 0.006 . 1 . . . A 608 VAL H . 18467 1 1184 . 1 1 109 109 VAL HA H 1 4.797 0.007 . 1 . . . A 608 VAL HA . 18467 1 1185 . 1 1 109 109 VAL HB H 1 1.004 0.007 . 1 . . . A 608 VAL HB . 18467 1 1186 . 1 1 109 109 VAL HG11 H 1 0.671 0.005 . 2 . . . A 608 VAL HG11 . 18467 1 1187 . 1 1 109 109 VAL HG12 H 1 0.671 0.005 . 2 . . . A 608 VAL HG12 . 18467 1 1188 . 1 1 109 109 VAL HG13 H 1 0.671 0.005 . 2 . . . A 608 VAL HG13 . 18467 1 1189 . 1 1 109 109 VAL HG21 H 1 -0.153 0.004 . 2 . . . A 608 VAL HG21 . 18467 1 1190 . 1 1 109 109 VAL HG22 H 1 -0.153 0.004 . 2 . . . A 608 VAL HG22 . 18467 1 1191 . 1 1 109 109 VAL HG23 H 1 -0.153 0.004 . 2 . . . A 608 VAL HG23 . 18467 1 1192 . 1 1 109 109 VAL C C 13 173.930 0.000 . 1 . . . A 608 VAL C . 18467 1 1193 . 1 1 109 109 VAL CA C 13 57.351 0.022 . 1 . . . A 608 VAL CA . 18467 1 1194 . 1 1 109 109 VAL CB C 13 33.964 0.049 . 1 . . . A 608 VAL CB . 18467 1 1195 . 1 1 109 109 VAL CG1 C 13 18.177 0.082 . 2 . . . A 608 VAL CG1 . 18467 1 1196 . 1 1 109 109 VAL CG2 C 13 21.966 0.065 . 2 . . . A 608 VAL CG2 . 18467 1 1197 . 1 1 109 109 VAL N N 15 121.130 0.064 . 1 . . . A 608 VAL N . 18467 1 1198 . 1 1 110 110 ASN H H 1 9.777 0.006 . 1 . . . A 609 ASN H . 18467 1 1199 . 1 1 110 110 ASN HA H 1 4.271 0.007 . 1 . . . A 609 ASN HA . 18467 1 1200 . 1 1 110 110 ASN HB2 H 1 3.079 0.008 . 2 . . . A 609 ASN HB2 . 18467 1 1201 . 1 1 110 110 ASN HB3 H 1 2.981 0.005 . 2 . . . A 609 ASN HB3 . 18467 1 1202 . 1 1 110 110 ASN HD21 H 1 7.664 0.006 . 2 . . . A 609 ASN HD21 . 18467 1 1203 . 1 1 110 110 ASN HD22 H 1 7.009 0.009 . 2 . . . A 609 ASN HD22 . 18467 1 1204 . 1 1 110 110 ASN C C 13 175.369 0.000 . 1 . . . A 609 ASN C . 18467 1 1205 . 1 1 110 110 ASN CA C 13 54.004 0.008 . 1 . . . A 609 ASN CA . 18467 1 1206 . 1 1 110 110 ASN CB C 13 35.927 0.000 . 1 . . . A 609 ASN CB . 18467 1 1207 . 1 1 110 110 ASN N N 15 128.284 0.074 . 1 . . . A 609 ASN N . 18467 1 1208 . 1 1 110 110 ASN ND2 N 15 111.013 0.025 . 1 . . . A 609 ASN ND2 . 18467 1 1209 . 1 1 111 111 LYS H H 1 8.290 0.007 . 1 . . . A 610 LYS H . 18467 1 1210 . 1 1 111 111 LYS HA H 1 3.660 0.006 . 1 . . . A 610 LYS HA . 18467 1 1211 . 1 1 111 111 LYS HG2 H 1 1.334 0.000 . 2 . . . A 610 LYS HG2 . 18467 1 1212 . 1 1 111 111 LYS HG3 H 1 1.334 0.000 . 2 . . . A 610 LYS HG3 . 18467 1 1213 . 1 1 111 111 LYS HE2 H 1 2.962 0.000 . 2 . . . A 610 LYS HE2 . 18467 1 1214 . 1 1 111 111 LYS HE3 H 1 2.962 0.000 . 2 . . . A 610 LYS HE3 . 18467 1 1215 . 1 1 111 111 LYS C C 13 175.573 0.000 . 1 . . . A 610 LYS C . 18467 1 1216 . 1 1 111 111 LYS CA C 13 58.404 0.000 . 1 . . . A 610 LYS CA . 18467 1 1217 . 1 1 111 111 LYS CB C 13 30.549 0.000 . 1 . . . A 610 LYS CB . 18467 1 1218 . 1 1 111 111 LYS CG C 13 25.451 0.000 . 1 . . . A 610 LYS CG . 18467 1 1219 . 1 1 111 111 LYS N N 15 107.711 0.174 . 1 . . . A 610 LYS N . 18467 1 1220 . 1 1 112 112 GLU H H 1 8.595 0.006 . 1 . . . A 611 GLU H . 18467 1 1221 . 1 1 112 112 GLU HA H 1 4.763 0.001 . 1 . . . A 611 GLU HA . 18467 1 1222 . 1 1 112 112 GLU HB2 H 1 2.013 0.000 . 2 . . . A 611 GLU HB2 . 18467 1 1223 . 1 1 112 112 GLU HB3 H 1 2.013 0.000 . 2 . . . A 611 GLU HB3 . 18467 1 1224 . 1 1 112 112 GLU HG2 H 1 2.202 0.006 . 2 . . . A 611 GLU HG2 . 18467 1 1225 . 1 1 112 112 GLU HG3 H 1 2.202 0.006 . 2 . . . A 611 GLU HG3 . 18467 1 1226 . 1 1 112 112 GLU CA C 13 52.981 0.000 . 1 . . . A 611 GLU CA . 18467 1 1227 . 1 1 112 112 GLU CB C 13 29.509 0.000 . 1 . . . A 611 GLU CB . 18467 1 1228 . 1 1 112 112 GLU N N 15 125.822 0.066 . 1 . . . A 611 GLU N . 18467 1 1229 . 1 1 113 113 PRO HA H 1 4.682 0.007 . 1 . . . A 612 PRO HA . 18467 1 1230 . 1 1 113 113 PRO HB2 H 1 1.807 0.000 . 2 . . . A 612 PRO HB2 . 18467 1 1231 . 1 1 113 113 PRO HB3 H 1 2.072 0.000 . 2 . . . A 612 PRO HB3 . 18467 1 1232 . 1 1 113 113 PRO HG2 H 1 1.961 0.007 . 2 . . . A 612 PRO HG2 . 18467 1 1233 . 1 1 113 113 PRO HG3 H 1 2.141 0.010 . 2 . . . A 612 PRO HG3 . 18467 1 1234 . 1 1 113 113 PRO HD2 H 1 3.811 0.000 . 2 . . . A 612 PRO HD2 . 18467 1 1235 . 1 1 113 113 PRO HD3 H 1 3.872 0.000 . 2 . . . A 612 PRO HD3 . 18467 1 1236 . 1 1 113 113 PRO C C 13 177.310 0.000 . 1 . . . A 612 PRO C . 18467 1 1237 . 1 1 113 113 PRO CA C 13 62.649 0.000 . 1 . . . A 612 PRO CA . 18467 1 1238 . 1 1 113 113 PRO CB C 13 32.139 0.043 . 1 . . . A 612 PRO CB . 18467 1 1239 . 1 1 113 113 PRO CG C 13 27.509 0.036 . 1 . . . A 612 PRO CG . 18467 1 1240 . 1 1 113 113 PRO CD C 13 50.623 0.014 . 1 . . . A 612 PRO CD . 18467 1 1241 . 1 1 114 114 VAL H H 1 9.214 0.003 . 1 . . . A 613 VAL H . 18467 1 1242 . 1 1 114 114 VAL HA H 1 4.274 0.007 . 1 . . . A 613 VAL HA . 18467 1 1243 . 1 1 114 114 VAL HB H 1 2.214 0.009 . 1 . . . A 613 VAL HB . 18467 1 1244 . 1 1 114 114 VAL HG11 H 1 1.006 0.004 . 2 . . . A 613 VAL HG11 . 18467 1 1245 . 1 1 114 114 VAL HG12 H 1 1.006 0.004 . 2 . . . A 613 VAL HG12 . 18467 1 1246 . 1 1 114 114 VAL HG13 H 1 1.006 0.004 . 2 . . . A 613 VAL HG13 . 18467 1 1247 . 1 1 114 114 VAL HG21 H 1 0.851 0.005 . 2 . . . A 613 VAL HG21 . 18467 1 1248 . 1 1 114 114 VAL HG22 H 1 0.851 0.005 . 2 . . . A 613 VAL HG22 . 18467 1 1249 . 1 1 114 114 VAL HG23 H 1 0.851 0.005 . 2 . . . A 613 VAL HG23 . 18467 1 1250 . 1 1 114 114 VAL C C 13 176.558 0.000 . 1 . . . A 613 VAL C . 18467 1 1251 . 1 1 114 114 VAL CA C 13 62.350 0.051 . 1 . . . A 613 VAL CA . 18467 1 1252 . 1 1 114 114 VAL CB C 13 32.473 0.000 . 1 . . . A 613 VAL CB . 18467 1 1253 . 1 1 114 114 VAL CG2 C 13 22.046 0.031 . 2 . . . A 613 VAL CG2 . 18467 1 1254 . 1 1 114 114 VAL N N 15 124.773 0.040 . 1 . . . A 613 VAL N . 18467 1 1255 . 1 1 115 115 ALA H H 1 8.935 0.003 . 1 . . . A 614 ALA H . 18467 1 1256 . 1 1 115 115 ALA HA H 1 4.321 0.009 . 1 . . . A 614 ALA HA . 18467 1 1257 . 1 1 115 115 ALA HB1 H 1 1.425 0.003 . 1 . . . A 614 ALA HB1 . 18467 1 1258 . 1 1 115 115 ALA HB2 H 1 1.425 0.003 . 1 . . . A 614 ALA HB2 . 18467 1 1259 . 1 1 115 115 ALA HB3 H 1 1.425 0.003 . 1 . . . A 614 ALA HB3 . 18467 1 1260 . 1 1 115 115 ALA C C 13 178.354 0.000 . 1 . . . A 614 ALA C . 18467 1 1261 . 1 1 115 115 ALA CA C 13 53.995 0.065 . 1 . . . A 614 ALA CA . 18467 1 1262 . 1 1 115 115 ALA CB C 13 19.616 0.018 . 1 . . . A 614 ALA CB . 18467 1 1263 . 1 1 115 115 ALA N N 15 132.583 0.044 . 1 . . . A 614 ALA N . 18467 1 1264 . 1 1 116 116 GLU H H 1 6.867 0.004 . 1 . . . A 615 GLU H . 18467 1 1265 . 1 1 116 116 GLU HA H 1 4.866 0.012 . 1 . . . A 615 GLU HA . 18467 1 1266 . 1 1 116 116 GLU HB2 H 1 2.035 0.006 . 2 . . . A 615 GLU HB2 . 18467 1 1267 . 1 1 116 116 GLU HB3 H 1 2.035 0.006 . 2 . . . A 615 GLU HB3 . 18467 1 1268 . 1 1 116 116 GLU HG2 H 1 2.237 0.007 . 2 . . . A 615 GLU HG2 . 18467 1 1269 . 1 1 116 116 GLU HG3 H 1 2.237 0.007 . 2 . . . A 615 GLU HG3 . 18467 1 1270 . 1 1 116 116 GLU CA C 13 53.432 0.022 . 1 . . . A 615 GLU CA . 18467 1 1271 . 1 1 116 116 GLU CB C 13 31.554 0.000 . 1 . . . A 615 GLU CB . 18467 1 1272 . 1 1 116 116 GLU N N 15 115.172 0.043 . 1 . . . A 615 GLU N . 18467 1 1273 . 1 1 117 117 PRO HA H 1 5.651 0.006 . 1 . . . A 616 PRO HA . 18467 1 1274 . 1 1 117 117 PRO HB2 H 1 2.102 0.008 . 2 . . . A 616 PRO HB2 . 18467 1 1275 . 1 1 117 117 PRO HB3 H 1 2.042 0.007 . 2 . . . A 616 PRO HB3 . 18467 1 1276 . 1 1 117 117 PRO HD2 H 1 3.977 0.002 . 2 . . . A 616 PRO HD2 . 18467 1 1277 . 1 1 117 117 PRO HD3 H 1 3.559 0.002 . 2 . . . A 616 PRO HD3 . 18467 1 1278 . 1 1 117 117 PRO C C 13 177.099 0.000 . 1 . . . A 616 PRO C . 18467 1 1279 . 1 1 117 117 PRO CA C 13 61.960 0.101 . 1 . . . A 616 PRO CA . 18467 1 1280 . 1 1 117 117 PRO CB C 13 33.618 0.000 . 1 . . . A 616 PRO CB . 18467 1 1281 . 1 1 117 117 PRO CD C 13 50.902 0.212 . 1 . . . A 616 PRO CD . 18467 1 1282 . 1 1 118 118 ASP H H 1 9.727 0.004 . 1 . . . A 617 ASP H . 18467 1 1283 . 1 1 118 118 ASP HA H 1 3.881 0.006 . 1 . . . A 617 ASP HA . 18467 1 1284 . 1 1 118 118 ASP HB2 H 1 2.904 0.004 . 2 . . . A 617 ASP HB2 . 18467 1 1285 . 1 1 118 118 ASP HB3 H 1 2.988 0.000 . 2 . . . A 617 ASP HB3 . 18467 1 1286 . 1 1 118 118 ASP C C 13 174.967 0.000 . 1 . . . A 617 ASP C . 18467 1 1287 . 1 1 118 118 ASP CA C 13 54.921 0.065 . 1 . . . A 617 ASP CA . 18467 1 1288 . 1 1 118 118 ASP CB C 13 37.857 0.152 . 1 . . . A 617 ASP CB . 18467 1 1289 . 1 1 118 118 ASP N N 15 114.290 0.085 . 1 . . . A 617 ASP N . 18467 1 1290 . 1 1 119 119 ILE H H 1 8.750 0.005 . 1 . . . A 618 ILE H . 18467 1 1291 . 1 1 119 119 ILE HA H 1 4.037 0.005 . 1 . . . A 618 ILE HA . 18467 1 1292 . 1 1 119 119 ILE HB H 1 2.027 0.005 . 1 . . . A 618 ILE HB . 18467 1 1293 . 1 1 119 119 ILE HG12 H 1 1.551 0.005 . 2 . . . A 618 ILE HG12 . 18467 1 1294 . 1 1 119 119 ILE HG13 H 1 0.865 0.006 . 2 . . . A 618 ILE HG13 . 18467 1 1295 . 1 1 119 119 ILE HG21 H 1 0.812 0.006 . 1 . . . A 618 ILE HG21 . 18467 1 1296 . 1 1 119 119 ILE HG22 H 1 0.812 0.006 . 1 . . . A 618 ILE HG22 . 18467 1 1297 . 1 1 119 119 ILE HG23 H 1 0.812 0.006 . 1 . . . A 618 ILE HG23 . 18467 1 1298 . 1 1 119 119 ILE HD11 H 1 0.735 0.006 . 1 . . . A 618 ILE HD11 . 18467 1 1299 . 1 1 119 119 ILE HD12 H 1 0.735 0.006 . 1 . . . A 618 ILE HD12 . 18467 1 1300 . 1 1 119 119 ILE HD13 H 1 0.735 0.006 . 1 . . . A 618 ILE HD13 . 18467 1 1301 . 1 1 119 119 ILE C C 13 175.869 0.000 . 1 . . . A 618 ILE C . 18467 1 1302 . 1 1 119 119 ILE CA C 13 62.807 0.069 . 1 . . . A 618 ILE CA . 18467 1 1303 . 1 1 119 119 ILE CB C 13 36.618 0.069 . 1 . . . A 618 ILE CB . 18467 1 1304 . 1 1 119 119 ILE CG1 C 13 27.095 0.000 . 1 . . . A 618 ILE CG1 . 18467 1 1305 . 1 1 119 119 ILE CG2 C 13 18.341 0.085 . 1 . . . A 618 ILE CG2 . 18467 1 1306 . 1 1 119 119 ILE CD1 C 13 13.953 0.105 . 1 . . . A 618 ILE CD1 . 18467 1 1307 . 1 1 119 119 ILE N N 15 121.048 0.062 . 1 . . . A 618 ILE N . 18467 1 1308 . 1 1 120 120 MET H H 1 8.080 0.003 . 1 . . . A 619 MET H . 18467 1 1309 . 1 1 120 120 MET HA H 1 4.601 0.004 . 1 . . . A 619 MET HA . 18467 1 1310 . 1 1 120 120 MET HB2 H 1 1.995 0.007 . 2 . . . A 619 MET HB2 . 18467 1 1311 . 1 1 120 120 MET HB3 H 1 1.995 0.007 . 2 . . . A 619 MET HB3 . 18467 1 1312 . 1 1 120 120 MET HG2 H 1 2.760 0.002 . 2 . . . A 619 MET HG2 . 18467 1 1313 . 1 1 120 120 MET HG3 H 1 2.668 0.001 . 2 . . . A 619 MET HG3 . 18467 1 1314 . 1 1 120 120 MET HE1 H 1 1.971 0.001 . 1 . . . A 619 MET HE1 . 18467 1 1315 . 1 1 120 120 MET HE2 H 1 1.971 0.001 . 1 . . . A 619 MET HE2 . 18467 1 1316 . 1 1 120 120 MET HE3 H 1 1.971 0.001 . 1 . . . A 619 MET HE3 . 18467 1 1317 . 1 1 120 120 MET C C 13 174.817 0.000 . 1 . . . A 619 MET C . 18467 1 1318 . 1 1 120 120 MET CA C 13 54.936 0.022 . 1 . . . A 619 MET CA . 18467 1 1319 . 1 1 120 120 MET CB C 13 31.313 0.000 . 1 . . . A 619 MET CB . 18467 1 1320 . 1 1 120 120 MET CE C 13 15.615 0.059 . 1 . . . A 619 MET CE . 18467 1 1321 . 1 1 120 120 MET N N 15 125.674 0.042 . 1 . . . A 619 MET N . 18467 1 1322 . 1 1 121 121 ALA H H 1 8.377 0.006 . 1 . . . A 620 ALA H . 18467 1 1323 . 1 1 121 121 ALA HA H 1 4.902 0.004 . 1 . . . A 620 ALA HA . 18467 1 1324 . 1 1 121 121 ALA HB1 H 1 1.311 0.004 . 1 . . . A 620 ALA HB1 . 18467 1 1325 . 1 1 121 121 ALA HB2 H 1 1.311 0.004 . 1 . . . A 620 ALA HB2 . 18467 1 1326 . 1 1 121 121 ALA HB3 H 1 1.311 0.004 . 1 . . . A 620 ALA HB3 . 18467 1 1327 . 1 1 121 121 ALA C C 13 177.908 0.000 . 1 . . . A 620 ALA C . 18467 1 1328 . 1 1 121 121 ALA CA C 13 49.986 0.011 . 1 . . . A 620 ALA CA . 18467 1 1329 . 1 1 121 121 ALA CB C 13 23.115 0.025 . 1 . . . A 620 ALA CB . 18467 1 1330 . 1 1 121 121 ALA N N 15 122.849 0.053 . 1 . . . A 620 ALA N . 18467 1 1331 . 1 1 122 122 THR H H 1 9.183 0.002 . 1 . . . A 621 THR H . 18467 1 1332 . 1 1 122 122 THR HA H 1 4.051 0.004 . 1 . . . A 621 THR HA . 18467 1 1333 . 1 1 122 122 THR HB H 1 4.251 0.006 . 1 . . . A 621 THR HB . 18467 1 1334 . 1 1 122 122 THR HG21 H 1 1.165 0.001 . 1 . . . A 621 THR HG21 . 18467 1 1335 . 1 1 122 122 THR HG22 H 1 1.165 0.001 . 1 . . . A 621 THR HG22 . 18467 1 1336 . 1 1 122 122 THR HG23 H 1 1.165 0.001 . 1 . . . A 621 THR HG23 . 18467 1 1337 . 1 1 122 122 THR C C 13 176.320 0.000 . 1 . . . A 621 THR C . 18467 1 1338 . 1 1 122 122 THR CA C 13 64.524 0.069 . 1 . . . A 621 THR CA . 18467 1 1339 . 1 1 122 122 THR CB C 13 68.391 0.073 . 1 . . . A 621 THR CB . 18467 1 1340 . 1 1 122 122 THR CG2 C 13 22.718 0.020 . 1 . . . A 621 THR CG2 . 18467 1 1341 . 1 1 122 122 THR N N 15 111.104 0.032 . 1 . . . A 621 THR N . 18467 1 1342 . 1 1 123 123 ASN H H 1 7.969 0.004 . 1 . . . A 622 ASN H . 18467 1 1343 . 1 1 123 123 ASN HA H 1 5.030 0.005 . 1 . . . A 622 ASN HA . 18467 1 1344 . 1 1 123 123 ASN HB2 H 1 2.775 0.008 . 2 . . . A 622 ASN HB2 . 18467 1 1345 . 1 1 123 123 ASN HB3 H 1 3.349 0.005 . 2 . . . A 622 ASN HB3 . 18467 1 1346 . 1 1 123 123 ASN HD21 H 1 8.096 0.004 . 2 . . . A 622 ASN HD21 . 18467 1 1347 . 1 1 123 123 ASN HD22 H 1 6.853 0.006 . 2 . . . A 622 ASN HD22 . 18467 1 1348 . 1 1 123 123 ASN C C 13 173.263 0.000 . 1 . . . A 622 ASN C . 18467 1 1349 . 1 1 123 123 ASN CA C 13 51.203 0.066 . 1 . . . A 622 ASN CA . 18467 1 1350 . 1 1 123 123 ASN CB C 13 37.076 0.038 . 1 . . . A 622 ASN CB . 18467 1 1351 . 1 1 123 123 ASN N N 15 117.445 0.124 . 1 . . . A 622 ASN N . 18467 1 1352 . 1 1 123 123 ASN ND2 N 15 108.752 0.031 . 1 . . . A 622 ASN ND2 . 18467 1 1353 . 1 1 124 124 GLY H H 1 6.921 0.005 . 1 . . . A 623 GLY H . 18467 1 1354 . 1 1 124 124 GLY HA2 H 1 5.012 0.010 . 2 . . . A 623 GLY HA2 . 18467 1 1355 . 1 1 124 124 GLY HA3 H 1 3.693 0.007 . 2 . . . A 623 GLY HA3 . 18467 1 1356 . 1 1 124 124 GLY C C 13 169.925 0.000 . 1 . . . A 623 GLY C . 18467 1 1357 . 1 1 124 124 GLY CA C 13 46.709 0.051 . 1 . . . A 623 GLY CA . 18467 1 1358 . 1 1 124 124 GLY N N 15 102.705 0.047 . 1 . . . A 623 GLY N . 18467 1 1359 . 1 1 125 125 VAL H H 1 8.485 0.009 . 1 . . . A 624 VAL H . 18467 1 1360 . 1 1 125 125 VAL HA H 1 4.877 0.007 . 1 . . . A 624 VAL HA . 18467 1 1361 . 1 1 125 125 VAL HB H 1 1.711 0.005 . 1 . . . A 624 VAL HB . 18467 1 1362 . 1 1 125 125 VAL HG11 H 1 0.736 0.003 . 2 . . . A 624 VAL HG11 . 18467 1 1363 . 1 1 125 125 VAL HG12 H 1 0.736 0.003 . 2 . . . A 624 VAL HG12 . 18467 1 1364 . 1 1 125 125 VAL HG13 H 1 0.736 0.003 . 2 . . . A 624 VAL HG13 . 18467 1 1365 . 1 1 125 125 VAL HG21 H 1 0.559 0.003 . 2 . . . A 624 VAL HG21 . 18467 1 1366 . 1 1 125 125 VAL HG22 H 1 0.559 0.003 . 2 . . . A 624 VAL HG22 . 18467 1 1367 . 1 1 125 125 VAL HG23 H 1 0.559 0.003 . 2 . . . A 624 VAL HG23 . 18467 1 1368 . 1 1 125 125 VAL C C 13 170.887 0.000 . 1 . . . A 624 VAL C . 18467 1 1369 . 1 1 125 125 VAL CA C 13 58.527 0.110 . 1 . . . A 624 VAL CA . 18467 1 1370 . 1 1 125 125 VAL CB C 13 34.967 0.037 . 1 . . . A 624 VAL CB . 18467 1 1371 . 1 1 125 125 VAL CG1 C 13 21.116 0.105 . 2 . . . A 624 VAL CG1 . 18467 1 1372 . 1 1 125 125 VAL CG2 C 13 23.192 0.043 . 2 . . . A 624 VAL CG2 . 18467 1 1373 . 1 1 125 125 VAL N N 15 119.913 0.047 . 1 . . . A 624 VAL N . 18467 1 1374 . 1 1 126 126 VAL H H 1 9.106 0.005 . 1 . . . A 625 VAL H . 18467 1 1375 . 1 1 126 126 VAL HA H 1 4.619 0.005 . 1 . . . A 625 VAL HA . 18467 1 1376 . 1 1 126 126 VAL HB H 1 1.854 0.007 . 1 . . . A 625 VAL HB . 18467 1 1377 . 1 1 126 126 VAL HG11 H 1 0.550 0.005 . 2 . . . A 625 VAL HG11 . 18467 1 1378 . 1 1 126 126 VAL HG12 H 1 0.550 0.005 . 2 . . . A 625 VAL HG12 . 18467 1 1379 . 1 1 126 126 VAL HG13 H 1 0.550 0.005 . 2 . . . A 625 VAL HG13 . 18467 1 1380 . 1 1 126 126 VAL HG21 H 1 0.627 0.011 . 2 . . . A 625 VAL HG21 . 18467 1 1381 . 1 1 126 126 VAL HG22 H 1 0.627 0.011 . 2 . . . A 625 VAL HG22 . 18467 1 1382 . 1 1 126 126 VAL HG23 H 1 0.627 0.011 . 2 . . . A 625 VAL HG23 . 18467 1 1383 . 1 1 126 126 VAL C C 13 172.882 0.000 . 1 . . . A 625 VAL C . 18467 1 1384 . 1 1 126 126 VAL CA C 13 60.534 0.027 . 1 . . . A 625 VAL CA . 18467 1 1385 . 1 1 126 126 VAL CB C 13 34.184 0.022 . 1 . . . A 625 VAL CB . 18467 1 1386 . 1 1 126 126 VAL CG1 C 13 21.286 0.058 . 2 . . . A 625 VAL CG1 . 18467 1 1387 . 1 1 126 126 VAL CG2 C 13 21.581 0.067 . 2 . . . A 625 VAL CG2 . 18467 1 1388 . 1 1 126 126 VAL N N 15 127.599 0.064 . 1 . . . A 625 VAL N . 18467 1 1389 . 1 1 127 127 HIS H H 1 8.754 0.012 . 1 . . . A 626 HIS H . 18467 1 1390 . 1 1 127 127 HIS HA H 1 5.494 0.006 . 1 . . . A 626 HIS HA . 18467 1 1391 . 1 1 127 127 HIS HB2 H 1 2.929 0.007 . 2 . . . A 626 HIS HB2 . 18467 1 1392 . 1 1 127 127 HIS HB3 H 1 2.715 0.008 . 2 . . . A 626 HIS HB3 . 18467 1 1393 . 1 1 127 127 HIS HD2 H 1 5.813 0.005 . 1 . . . A 626 HIS HD2 . 18467 1 1394 . 1 1 127 127 HIS HE1 H 1 8.509 0.003 . 1 . . . A 626 HIS HE1 . 18467 1 1395 . 1 1 127 127 HIS C C 13 175.629 0.000 . 1 . . . A 626 HIS C . 18467 1 1396 . 1 1 127 127 HIS CA C 13 53.247 0.067 . 1 . . . A 626 HIS CA . 18467 1 1397 . 1 1 127 127 HIS CB C 13 34.369 0.047 . 1 . . . A 626 HIS CB . 18467 1 1398 . 1 1 127 127 HIS CD2 C 13 117.786 0.000 . 1 . . . A 626 HIS CD2 . 18467 1 1399 . 1 1 127 127 HIS CE1 C 13 140.262 0.079 . 1 . . . A 626 HIS CE1 . 18467 1 1400 . 1 1 127 127 HIS N N 15 124.292 0.046 . 1 . . . A 626 HIS N . 18467 1 1401 . 1 1 128 128 VAL H H 1 8.812 0.006 . 1 . . . A 627 VAL H . 18467 1 1402 . 1 1 128 128 VAL HA H 1 4.512 0.004 . 1 . . . A 627 VAL HA . 18467 1 1403 . 1 1 128 128 VAL HB H 1 2.181 0.005 . 1 . . . A 627 VAL HB . 18467 1 1404 . 1 1 128 128 VAL HG11 H 1 1.160 0.008 . 2 . . . A 627 VAL HG11 . 18467 1 1405 . 1 1 128 128 VAL HG12 H 1 1.160 0.008 . 2 . . . A 627 VAL HG12 . 18467 1 1406 . 1 1 128 128 VAL HG13 H 1 1.160 0.008 . 2 . . . A 627 VAL HG13 . 18467 1 1407 . 1 1 128 128 VAL HG21 H 1 1.319 0.005 . 2 . . . A 627 VAL HG21 . 18467 1 1408 . 1 1 128 128 VAL HG22 H 1 1.319 0.005 . 2 . . . A 627 VAL HG22 . 18467 1 1409 . 1 1 128 128 VAL HG23 H 1 1.319 0.005 . 2 . . . A 627 VAL HG23 . 18467 1 1410 . 1 1 128 128 VAL C C 13 176.349 0.000 . 1 . . . A 627 VAL C . 18467 1 1411 . 1 1 128 128 VAL CA C 13 64.730 0.069 . 1 . . . A 627 VAL CA . 18467 1 1412 . 1 1 128 128 VAL CB C 13 32.980 0.115 . 1 . . . A 627 VAL CB . 18467 1 1413 . 1 1 128 128 VAL CG1 C 13 22.005 0.105 . 2 . . . A 627 VAL CG1 . 18467 1 1414 . 1 1 128 128 VAL CG2 C 13 23.321 0.053 . 2 . . . A 627 VAL CG2 . 18467 1 1415 . 1 1 128 128 VAL N N 15 124.493 0.043 . 1 . . . A 627 VAL N . 18467 1 1416 . 1 1 129 129 ILE H H 1 8.629 0.006 . 1 . . . A 628 ILE H . 18467 1 1417 . 1 1 129 129 ILE HA H 1 5.118 0.007 . 1 . . . A 628 ILE HA . 18467 1 1418 . 1 1 129 129 ILE HB H 1 2.316 0.005 . 1 . . . A 628 ILE HB . 18467 1 1419 . 1 1 129 129 ILE HG21 H 1 1.099 0.007 . 1 . . . A 628 ILE HG21 . 18467 1 1420 . 1 1 129 129 ILE HG22 H 1 1.099 0.007 . 1 . . . A 628 ILE HG22 . 18467 1 1421 . 1 1 129 129 ILE HG23 H 1 1.099 0.007 . 1 . . . A 628 ILE HG23 . 18467 1 1422 . 1 1 129 129 ILE HD11 H 1 1.164 0.004 . 1 . . . A 628 ILE HD11 . 18467 1 1423 . 1 1 129 129 ILE HD12 H 1 1.164 0.004 . 1 . . . A 628 ILE HD12 . 18467 1 1424 . 1 1 129 129 ILE HD13 H 1 1.164 0.004 . 1 . . . A 628 ILE HD13 . 18467 1 1425 . 1 1 129 129 ILE C C 13 175.190 0.000 . 1 . . . A 628 ILE C . 18467 1 1426 . 1 1 129 129 ILE CA C 13 60.217 0.073 . 1 . . . A 628 ILE CA . 18467 1 1427 . 1 1 129 129 ILE CB C 13 42.539 0.035 . 1 . . . A 628 ILE CB . 18467 1 1428 . 1 1 129 129 ILE CG2 C 13 19.169 0.022 . 1 . . . A 628 ILE CG2 . 18467 1 1429 . 1 1 129 129 ILE CD1 C 13 15.348 0.051 . 1 . . . A 628 ILE CD1 . 18467 1 1430 . 1 1 129 129 ILE N N 15 121.077 0.066 . 1 . . . A 628 ILE N . 18467 1 1431 . 1 1 130 130 THR H H 1 9.368 0.005 . 1 . . . A 629 THR H . 18467 1 1432 . 1 1 130 130 THR HA H 1 4.671 0.013 . 1 . . . A 629 THR HA . 18467 1 1433 . 1 1 130 130 THR HB H 1 4.437 0.003 . 1 . . . A 629 THR HB . 18467 1 1434 . 1 1 130 130 THR HG21 H 1 1.114 0.003 . 1 . . . A 629 THR HG21 . 18467 1 1435 . 1 1 130 130 THR HG22 H 1 1.114 0.003 . 1 . . . A 629 THR HG22 . 18467 1 1436 . 1 1 130 130 THR HG23 H 1 1.114 0.003 . 1 . . . A 629 THR HG23 . 18467 1 1437 . 1 1 130 130 THR C C 13 172.980 0.000 . 1 . . . A 629 THR C . 18467 1 1438 . 1 1 130 130 THR CA C 13 61.381 0.065 . 1 . . . A 629 THR CA . 18467 1 1439 . 1 1 130 130 THR CB C 13 68.784 0.016 . 1 . . . A 629 THR CB . 18467 1 1440 . 1 1 130 130 THR CG2 C 13 21.549 0.056 . 1 . . . A 629 THR CG2 . 18467 1 1441 . 1 1 130 130 THR N N 15 108.406 0.058 . 1 . . . A 629 THR N . 18467 1 1442 . 1 1 131 131 ASN H H 1 7.355 0.003 . 1 . . . A 630 ASN H . 18467 1 1443 . 1 1 131 131 ASN HA H 1 4.754 0.005 . 1 . . . A 630 ASN HA . 18467 1 1444 . 1 1 131 131 ASN HB2 H 1 2.332 0.004 . 2 . . . A 630 ASN HB2 . 18467 1 1445 . 1 1 131 131 ASN HB3 H 1 2.433 0.003 . 2 . . . A 630 ASN HB3 . 18467 1 1446 . 1 1 131 131 ASN HD21 H 1 8.178 0.003 . 2 . . . A 630 ASN HD21 . 18467 1 1447 . 1 1 131 131 ASN HD22 H 1 6.667 0.008 . 2 . . . A 630 ASN HD22 . 18467 1 1448 . 1 1 131 131 ASN C C 13 172.493 0.000 . 1 . . . A 630 ASN C . 18467 1 1449 . 1 1 131 131 ASN CA C 13 52.575 0.017 . 1 . . . A 630 ASN CA . 18467 1 1450 . 1 1 131 131 ASN CB C 13 43.079 0.070 . 1 . . . A 630 ASN CB . 18467 1 1451 . 1 1 131 131 ASN N N 15 117.533 0.053 . 1 . . . A 630 ASN N . 18467 1 1452 . 1 1 131 131 ASN ND2 N 15 115.362 0.041 . 1 . . . A 630 ASN ND2 . 18467 1 1453 . 1 1 132 132 VAL H H 1 8.087 0.005 . 1 . . . A 631 VAL H . 18467 1 1454 . 1 1 132 132 VAL HA H 1 3.914 0.008 . 1 . . . A 631 VAL HA . 18467 1 1455 . 1 1 132 132 VAL HB H 1 1.828 0.005 . 1 . . . A 631 VAL HB . 18467 1 1456 . 1 1 132 132 VAL HG11 H 1 0.952 0.006 . 2 . . . A 631 VAL HG11 . 18467 1 1457 . 1 1 132 132 VAL HG12 H 1 0.952 0.006 . 2 . . . A 631 VAL HG12 . 18467 1 1458 . 1 1 132 132 VAL HG13 H 1 0.952 0.006 . 2 . . . A 631 VAL HG13 . 18467 1 1459 . 1 1 132 132 VAL HG21 H 1 0.242 0.005 . 2 . . . A 631 VAL HG21 . 18467 1 1460 . 1 1 132 132 VAL HG22 H 1 0.242 0.005 . 2 . . . A 631 VAL HG22 . 18467 1 1461 . 1 1 132 132 VAL HG23 H 1 0.242 0.005 . 2 . . . A 631 VAL HG23 . 18467 1 1462 . 1 1 132 132 VAL C C 13 176.909 0.000 . 1 . . . A 631 VAL C . 18467 1 1463 . 1 1 132 132 VAL CA C 13 62.424 0.075 . 1 . . . A 631 VAL CA . 18467 1 1464 . 1 1 132 132 VAL CB C 13 32.453 0.089 . 1 . . . A 631 VAL CB . 18467 1 1465 . 1 1 132 132 VAL CG1 C 13 21.169 0.034 . 2 . . . A 631 VAL CG1 . 18467 1 1466 . 1 1 132 132 VAL CG2 C 13 21.794 0.089 . 2 . . . A 631 VAL CG2 . 18467 1 1467 . 1 1 132 132 VAL N N 15 117.886 0.043 . 1 . . . A 631 VAL N . 18467 1 1468 . 1 1 133 133 LEU H H 1 10.937 0.005 . 1 . . . A 632 LEU H . 18467 1 1469 . 1 1 133 133 LEU HA H 1 4.220 0.006 . 1 . . . A 632 LEU HA . 18467 1 1470 . 1 1 133 133 LEU HB2 H 1 1.128 0.009 . 2 . . . A 632 LEU HB2 . 18467 1 1471 . 1 1 133 133 LEU HB3 H 1 1.018 0.007 . 2 . . . A 632 LEU HB3 . 18467 1 1472 . 1 1 133 133 LEU HG H 1 1.591 0.007 . 1 . . . A 632 LEU HG . 18467 1 1473 . 1 1 133 133 LEU HD11 H 1 0.275 0.005 . 2 . . . A 632 LEU HD11 . 18467 1 1474 . 1 1 133 133 LEU HD12 H 1 0.275 0.005 . 2 . . . A 632 LEU HD12 . 18467 1 1475 . 1 1 133 133 LEU HD13 H 1 0.275 0.005 . 2 . . . A 632 LEU HD13 . 18467 1 1476 . 1 1 133 133 LEU HD21 H 1 0.682 0.004 . 2 . . . A 632 LEU HD21 . 18467 1 1477 . 1 1 133 133 LEU HD22 H 1 0.682 0.004 . 2 . . . A 632 LEU HD22 . 18467 1 1478 . 1 1 133 133 LEU HD23 H 1 0.682 0.004 . 2 . . . A 632 LEU HD23 . 18467 1 1479 . 1 1 133 133 LEU CA C 13 55.468 0.067 . 1 . . . A 632 LEU CA . 18467 1 1480 . 1 1 133 133 LEU CG C 13 26.093 0.044 . 1 . . . A 632 LEU CG . 18467 1 1481 . 1 1 133 133 LEU CD1 C 13 26.032 0.021 . 2 . . . A 632 LEU CD1 . 18467 1 1482 . 1 1 133 133 LEU CD2 C 13 22.315 0.083 . 2 . . . A 632 LEU CD2 . 18467 1 1483 . 1 1 133 133 LEU N N 15 130.948 0.048 . 1 . . . A 632 LEU N . 18467 1 1484 . 1 1 134 134 GLN H H 1 7.992 0.006 . 1 . . . A 633 GLN H . 18467 1 1485 . 1 1 134 134 GLN HA H 1 4.361 0.003 . 1 . . . A 633 GLN HA . 18467 1 1486 . 1 1 134 134 GLN HB2 H 1 2.024 0.000 . 2 . . . A 633 GLN HB2 . 18467 1 1487 . 1 1 134 134 GLN HB3 H 1 1.882 0.000 . 2 . . . A 633 GLN HB3 . 18467 1 1488 . 1 1 134 134 GLN HG2 H 1 2.280 0.002 . 2 . . . A 633 GLN HG2 . 18467 1 1489 . 1 1 134 134 GLN HG3 H 1 2.280 0.002 . 2 . . . A 633 GLN HG3 . 18467 1 1490 . 1 1 134 134 GLN CA C 13 55.043 0.071 . 1 . . . A 633 GLN CA . 18467 1 1491 . 1 1 134 134 GLN CB C 13 31.449 0.000 . 1 . . . A 633 GLN CB . 18467 1 1492 . 1 1 134 134 GLN CG C 13 34.205 0.000 . 1 . . . A 633 GLN CG . 18467 1 1493 . 1 1 134 134 GLN N N 15 118.157 0.107 . 1 . . . A 633 GLN N . 18467 1 1494 . 1 1 135 135 ALA H H 1 7.860 0.006 . 1 . . . A 634 ALA H . 18467 1 1495 . 1 1 135 135 ALA HA H 1 3.738 0.004 . 1 . . . A 634 ALA HA . 18467 1 1496 . 1 1 135 135 ALA HB1 H 1 0.836 0.003 . 1 . . . A 634 ALA HB1 . 18467 1 1497 . 1 1 135 135 ALA HB2 H 1 0.836 0.003 . 1 . . . A 634 ALA HB2 . 18467 1 1498 . 1 1 135 135 ALA HB3 H 1 0.836 0.003 . 1 . . . A 634 ALA HB3 . 18467 1 1499 . 1 1 135 135 ALA CA C 13 53.771 0.050 . 1 . . . A 634 ALA CA . 18467 1 1500 . 1 1 135 135 ALA CB C 13 19.381 0.053 . 1 . . . A 634 ALA CB . 18467 1 1501 . 1 1 135 135 ALA N N 15 132.890 0.103 . 1 . . . A 634 ALA N . 18467 1 stop_ save_