data_18091 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18091 _Entry.Title ; Solution structure of the yeast Sti1 DP2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-17 _Entry.Accession_date 2011-11-17 _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 Andreas Schmid . B. . 18091 2 Stephan Lagleder . . . 18091 3 Melissa Graewert . A. . 18091 4 Alina Roehl . . . 18091 5 Franz Hagn . . . 18091 6 Sebastian Wandinger . K. . 18091 7 Marc Cox . B. . 18091 8 Oliver Demmer . . . 18091 9 Klaus Richter . . . 18091 10 Michael Groll . . . 18091 11 Horst Kessler . . . 18091 12 Johannes Buchner . . . 18091 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' . 18091 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alpha helix' . 18091 'DP domain' . 18091 Monomer . 18091 Protein . 18091 'Solution NMR' . 18091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 18091 '15N chemical shifts' 76 18091 '1H chemical shifts' 516 18091 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 . . 2013-02-15 2011-11-17 update BMRB 'update entry citation' 18091 1 . . 2012-01-11 2011-11-17 original author 'original release' 18091 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18090 'yeast Sti1 DP2 domain' 18091 PDB 2LLW 'BMRB Entry Tracking System' 18091 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18091 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22227520 _Citation.Full_citation . _Citation.Title 'The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 31 _Citation.Journal_issue 6 _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 1506 _Citation.Page_last 1517 _Citation.Year 2012 _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 Andreas Schmid . B. . 18091 1 2 Stephan Lagleder . . . 18091 1 3 'Melissa Ann' Grawert . . . 18091 1 4 Alina Rohl . . . 18091 1 5 Franz Hagn . . . 18091 1 6 Sebastian Wandinger . K. . 18091 1 7 Marc Cox . B. . 18091 1 8 Oliver Demmer . . . 18091 1 9 Klaus Richter . . . 18091 1 10 Michael Groll . . . 18091 1 11 Horst Kessler . . . 18091 1 12 Johannes Buchner . . . 18091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18091 _Assembly.ID 1 _Assembly.Name DP2 _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 DP2 1 $DP2 A . yes native no no . . . 18091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DP2 _Entity.Sf_category entity _Entity.Sf_framecode DP2 _Entity.Entry_ID 18091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DP2 _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 ; QPGTSNETPEETYQRAMKDP EVAAIMQDPVMQSILQQAQQ NPAALQEHMKNPEVFKKIQT LIAAGIIRTGR ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7926.069 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LLW . "Solution Structure Of The Yeast Sti1 Dp2 Domain" . . . . . 100.00 71 100.00 100.00 1.29e-42 . . . . 18091 1 2 no DBJ GAA26351 . "K7_Sti1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 1 3 no EMBL CAA60743 . "STI1 heat shock protein [Saccharomyces cerevisiae]" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 1 4 no EMBL CAA99217 . "STI1 [Saccharomyces cerevisiae]" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 1 5 no GB AAA35121 . "heat shock protein STI1 [Saccharomyces cerevisiae]" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 1 6 no GB AHY77333 . "Sti1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 589 100.00 100.00 3.41e-40 . . . . 18091 1 7 no GB AJP41564 . "Sti1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 589 100.00 100.00 3.41e-40 . . . . 18091 1 8 no GB AJT70985 . "Sti1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 589 100.00 100.00 3.41e-40 . . . . 18091 1 9 no GB AJT71475 . "Sti1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 589 100.00 100.00 3.41e-40 . . . . 18091 1 10 no REF NP_014670 . "Hsp90 cochaperone STI1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 1 11 no SP P15705 . "RecName: Full=Heat shock protein STI1" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 1 12 no TPG DAA10809 . "TPA: Hsp90 cochaperone STI1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 589 100.00 100.00 3.65e-40 . . . . 18091 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 1 519 GLN . 18091 1 2 520 PRO . 18091 1 3 521 GLY . 18091 1 4 522 THR . 18091 1 5 523 SER . 18091 1 6 524 ASN . 18091 1 7 525 GLU . 18091 1 8 526 THR . 18091 1 9 527 PRO . 18091 1 10 528 GLU . 18091 1 11 529 GLU . 18091 1 12 530 THR . 18091 1 13 531 TYR . 18091 1 14 532 GLN . 18091 1 15 533 ARG . 18091 1 16 534 ALA . 18091 1 17 535 MET . 18091 1 18 536 LYS . 18091 1 19 537 ASP . 18091 1 20 538 PRO . 18091 1 21 539 GLU . 18091 1 22 540 VAL . 18091 1 23 541 ALA . 18091 1 24 542 ALA . 18091 1 25 543 ILE . 18091 1 26 544 MET . 18091 1 27 545 GLN . 18091 1 28 546 ASP . 18091 1 29 547 PRO . 18091 1 30 548 VAL . 18091 1 31 549 MET . 18091 1 32 550 GLN . 18091 1 33 551 SER . 18091 1 34 552 ILE . 18091 1 35 553 LEU . 18091 1 36 554 GLN . 18091 1 37 555 GLN . 18091 1 38 556 ALA . 18091 1 39 557 GLN . 18091 1 40 558 GLN . 18091 1 41 559 ASN . 18091 1 42 560 PRO . 18091 1 43 561 ALA . 18091 1 44 562 ALA . 18091 1 45 563 LEU . 18091 1 46 564 GLN . 18091 1 47 565 GLU . 18091 1 48 566 HIS . 18091 1 49 567 MET . 18091 1 50 568 LYS . 18091 1 51 569 ASN . 18091 1 52 570 PRO . 18091 1 53 571 GLU . 18091 1 54 572 VAL . 18091 1 55 573 PHE . 18091 1 56 574 LYS . 18091 1 57 575 LYS . 18091 1 58 576 ILE . 18091 1 59 577 GLN . 18091 1 60 578 THR . 18091 1 61 579 LEU . 18091 1 62 580 ILE . 18091 1 63 581 ALA . 18091 1 64 582 ALA . 18091 1 65 583 GLY . 18091 1 66 584 ILE . 18091 1 67 585 ILE . 18091 1 68 586 ARG . 18091 1 69 587 THR . 18091 1 70 588 GLY . 18091 1 71 589 ARG . 18091 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 . GLN 1 1 18091 1 . PRO 2 2 18091 1 . GLY 3 3 18091 1 . THR 4 4 18091 1 . SER 5 5 18091 1 . ASN 6 6 18091 1 . GLU 7 7 18091 1 . THR 8 8 18091 1 . PRO 9 9 18091 1 . GLU 10 10 18091 1 . GLU 11 11 18091 1 . THR 12 12 18091 1 . TYR 13 13 18091 1 . GLN 14 14 18091 1 . ARG 15 15 18091 1 . ALA 16 16 18091 1 . MET 17 17 18091 1 . LYS 18 18 18091 1 . ASP 19 19 18091 1 . PRO 20 20 18091 1 . GLU 21 21 18091 1 . VAL 22 22 18091 1 . ALA 23 23 18091 1 . ALA 24 24 18091 1 . ILE 25 25 18091 1 . MET 26 26 18091 1 . GLN 27 27 18091 1 . ASP 28 28 18091 1 . PRO 29 29 18091 1 . VAL 30 30 18091 1 . MET 31 31 18091 1 . GLN 32 32 18091 1 . SER 33 33 18091 1 . ILE 34 34 18091 1 . LEU 35 35 18091 1 . GLN 36 36 18091 1 . GLN 37 37 18091 1 . ALA 38 38 18091 1 . GLN 39 39 18091 1 . GLN 40 40 18091 1 . ASN 41 41 18091 1 . PRO 42 42 18091 1 . ALA 43 43 18091 1 . ALA 44 44 18091 1 . LEU 45 45 18091 1 . GLN 46 46 18091 1 . GLU 47 47 18091 1 . HIS 48 48 18091 1 . MET 49 49 18091 1 . LYS 50 50 18091 1 . ASN 51 51 18091 1 . PRO 52 52 18091 1 . GLU 53 53 18091 1 . VAL 54 54 18091 1 . PHE 55 55 18091 1 . LYS 56 56 18091 1 . LYS 57 57 18091 1 . ILE 58 58 18091 1 . GLN 59 59 18091 1 . THR 60 60 18091 1 . LEU 61 61 18091 1 . ILE 62 62 18091 1 . ALA 63 63 18091 1 . ALA 64 64 18091 1 . GLY 65 65 18091 1 . ILE 66 66 18091 1 . ILE 67 67 18091 1 . ARG 68 68 18091 1 . THR 69 69 18091 1 . GLY 70 70 18091 1 . ARG 71 71 18091 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 18091 _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 $DP2 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . STI1 . . . . 18091 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 18091 _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 $DP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . PET28A . . . . . . 18091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18091 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DP2 '[U-99% 13C; U-99% 15N]' . . 1 $DP2 . . 0.5-3 . . mM . . . . 18091 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18091 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18091 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 18091 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18091 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18091 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18091 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DP2 'natural abundance' . . 1 $DP2 . . 1 . . mM . . . . 18091 2 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18091 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18091 2 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 18091 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18091 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18091 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18091 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DP2 '[U-99% 15N]' . . 1 $DP2 . . 0.5 . . mM . . . . 18091 3 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18091 3 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18091 3 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 18091 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18091 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18091 3 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 18091 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.35 . M 18091 1 pH 7.5 . pH 18091 1 pressure 1 . atm 18091 1 temperature 293 . K 18091 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18091 _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' . . 18091 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18091 1 processing 18091 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18091 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18091 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18091 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18091 _Software.ID 3 _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' . . 18091 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18091 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18091 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18091 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18091 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18091 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18091 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18091 5 'geometry optimization' 18091 5 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 18091 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18091 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18091 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18091 _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 . 900 . . . 18091 1 2 spectrometer_2 Bruker DMX . 750 . . . 18091 1 3 spectrometer_3 Bruker DMX . 600 . . . 18091 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 18091 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 14 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 17 '3D CCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 18 '3D CNH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 19 '3D NNH NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 20 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 21 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 1 22 '2D 1H-15N HSCQ-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18091 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 18091 _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 . . . . . . . . . 18091 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18091 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18091 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18091 _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' . . . 18091 1 2 '2D 1H-13C HSQC' . . . 18091 1 4 '3D HNCO' . . . 18091 1 5 '3D HN(CA)CO' . . . 18091 1 6 '3D HN(CO)CA' . . . 18091 1 7 '3D HNCA' . . . 18091 1 8 '3D CBCA(CO)NH' . . . 18091 1 9 '3D HNCACB' . . . 18091 1 10 '3D C(CO)NH' . . . 18091 1 11 '3D HCCH-COSY' . . . 18091 1 12 '3D HCCH-TOCSY' . . . 18091 1 13 '3D HNHA' . . . 18091 1 14 '3D HNHB' . . . 18091 1 20 '2D HBCBCGCDHD' . . . 18091 1 21 '2D HBCBCGCDCEHE' . . . 18091 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.45 0.02 . 1 . . . A 519 GLN HA . 18091 1 2 . 1 1 1 1 GLN HB2 H 1 1.88 0.02 . 1 . . . A 519 GLN HB2 . 18091 1 3 . 1 1 1 1 GLN HB3 H 1 1.88 0.02 . 1 . . . A 519 GLN HB3 . 18091 1 4 . 1 1 1 1 GLN HG2 H 1 2.20 0.02 . 2 . . . A 519 GLN HG2 . 18091 1 5 . 1 1 1 1 GLN HG3 H 1 2.63 0.02 . 2 . . . A 519 GLN HG3 . 18091 1 6 . 1 1 1 1 GLN HE21 H 1 6.75 0.02 . 1 . . . A 519 GLN HE21 . 18091 1 7 . 1 1 1 1 GLN HE22 H 1 7.40 0.02 . 1 . . . A 519 GLN HE22 . 18091 1 8 . 1 1 1 1 GLN H H 1 8.13 0.02 . 1 . . . A 519 GLN H1 . 18091 1 9 . 1 1 1 1 GLN C C 13 173.26 0.05 . 1 . . . A 519 GLN C . 18091 1 10 . 1 1 1 1 GLN CA C 13 53.02 0.05 . 1 . . . A 519 GLN CA . 18091 1 11 . 1 1 1 1 GLN CB C 13 29.17 0.05 . 1 . . . A 519 GLN CB . 18091 1 12 . 1 1 1 1 GLN CG C 13 33.38 0.05 . 1 . . . A 519 GLN CG . 18091 1 13 . 1 1 1 1 GLN N N 15 123.53 0.05 . 1 . . . A 519 GLN N . 18091 1 14 . 1 1 1 1 GLN NE2 N 15 112.34 0.05 . 1 . . . A 519 GLN NE2 . 18091 1 15 . 1 1 2 2 PRO HA H 1 4.23 0.02 . 1 . . . A 520 PRO HA . 18091 1 16 . 1 1 2 2 PRO HB2 H 1 2.18 0.02 . 1 . . . A 520 PRO HB2 . 18091 1 17 . 1 1 2 2 PRO HB3 H 1 1.82 0.02 . 1 . . . A 520 PRO HB3 . 18091 1 18 . 1 1 2 2 PRO HG2 H 1 1.87 0.02 . 1 . . . A 520 PRO HG2 . 18091 1 19 . 1 1 2 2 PRO HG3 H 1 1.87 0.02 . 1 . . . A 520 PRO HG3 . 18091 1 20 . 1 1 2 2 PRO HD2 H 1 3.51 0.02 . 1 . . . A 520 PRO HD2 . 18091 1 21 . 1 1 2 2 PRO HD3 H 1 3.51 0.02 . 1 . . . A 520 PRO HD3 . 18091 1 22 . 1 1 2 2 PRO CA C 13 63.25 0.05 . 1 . . . A 520 PRO CA . 18091 1 23 . 1 1 2 2 PRO CB C 13 31.96 0.05 . 1 . . . A 520 PRO CB . 18091 1 24 . 1 1 2 2 PRO CG C 13 27.09 0.05 . 1 . . . A 520 PRO CG . 18091 1 25 . 1 1 2 2 PRO CD C 13 50.56 0.05 . 1 . . . A 520 PRO CD . 18091 1 26 . 1 1 3 3 GLY H H 1 8.49 0.02 . 1 . . . A 521 GLY H . 18091 1 27 . 1 1 3 3 GLY HA2 H 1 3.87 0.02 . 1 . . . A 521 GLY HA2 . 18091 1 28 . 1 1 3 3 GLY HA3 H 1 3.87 0.02 . 1 . . . A 521 GLY HA3 . 18091 1 29 . 1 1 3 3 GLY C C 13 174.30 0.05 . 1 . . . A 521 GLY C . 18091 1 30 . 1 1 3 3 GLY CA C 13 45.18 0.05 . 1 . . . A 521 GLY CA . 18091 1 31 . 1 1 3 3 GLY N N 15 109.40 0.05 . 1 . . . A 521 GLY N . 18091 1 32 . 1 1 4 4 THR H H 1 7.86 0.02 . 1 . . . A 522 THR H . 18091 1 33 . 1 1 4 4 THR HA H 1 4.30 0.02 . 1 . . . A 522 THR HA . 18091 1 34 . 1 1 4 4 THR HB H 1 4.16 0.02 . 1 . . . A 522 THR HB . 18091 1 35 . 1 1 4 4 THR HG21 H 1 1.05 0.02 . 1 . . . A 522 THR HG21 . 18091 1 36 . 1 1 4 4 THR HG22 H 1 1.05 0.02 . 1 . . . A 522 THR HG22 . 18091 1 37 . 1 1 4 4 THR HG23 H 1 1.05 0.02 . 1 . . . A 522 THR HG23 . 18091 1 38 . 1 1 4 4 THR C C 13 174.69 0.05 . 1 . . . A 522 THR C . 18091 1 39 . 1 1 4 4 THR CA C 13 61.24 0.05 . 1 . . . A 522 THR CA . 18091 1 40 . 1 1 4 4 THR CB C 13 69.96 0.05 . 1 . . . A 522 THR CB . 18091 1 41 . 1 1 4 4 THR CG2 C 13 21.31 0.05 . 1 . . . A 522 THR CG2 . 18091 1 42 . 1 1 4 4 THR N N 15 112.48 0.05 . 1 . . . A 522 THR N . 18091 1 43 . 1 1 5 5 SER H H 1 8.30 0.02 . 1 . . . A 523 SER H . 18091 1 44 . 1 1 5 5 SER HA H 1 3.89 0.02 . 1 . . . A 523 SER HA . 18091 1 45 . 1 1 5 5 SER HB2 H 1 3.72 0.02 . 1 . . . A 523 SER HB2 . 18091 1 46 . 1 1 5 5 SER HB3 H 1 3.72 0.02 . 1 . . . A 523 SER HB3 . 18091 1 47 . 1 1 5 5 SER C C 13 173.32 0.05 . 1 . . . A 523 SER C . 18091 1 48 . 1 1 5 5 SER CA C 13 58.46 0.05 . 1 . . . A 523 SER CA . 18091 1 49 . 1 1 5 5 SER CB C 13 63.69 0.05 . 1 . . . A 523 SER CB . 18091 1 50 . 1 1 5 5 SER N N 15 117.45 0.05 . 1 . . . A 523 SER N . 18091 1 51 . 1 1 6 6 ASN HA H 1 4.35 0.02 . 1 . . . A 524 ASN HA . 18091 1 52 . 1 1 6 6 ASN HD21 H 1 6.78 0.02 . 1 . . . A 524 ASN HD21 . 18091 1 53 . 1 1 6 6 ASN HD22 H 1 7.48 0.02 . 1 . . . A 524 ASN HD22 . 18091 1 54 . 1 1 6 6 ASN C C 13 174.67 0.05 . 1 . . . A 524 ASN C . 18091 1 55 . 1 1 6 6 ASN CA C 13 53.06 0.05 . 1 . . . A 524 ASN CA . 18091 1 56 . 1 1 6 6 ASN CB C 13 38.71 0.05 . 1 . . . A 524 ASN CB . 18091 1 57 . 1 1 6 6 ASN ND2 N 15 112.92 0.05 . 1 . . . A 524 ASN ND2 . 18091 1 58 . 1 1 7 7 GLU H H 1 7.97 0.02 . 1 . . . A 525 GLU H . 18091 1 59 . 1 1 7 7 GLU HA H 1 4.34 0.02 . 1 . . . A 525 GLU HA . 18091 1 60 . 1 1 7 7 GLU HB2 H 1 1.95 0.02 . 1 . . . A 525 GLU HB2 . 18091 1 61 . 1 1 7 7 GLU HB3 H 1 1.95 0.02 . 1 . . . A 525 GLU HB3 . 18091 1 62 . 1 1 7 7 GLU HG2 H 1 2.14 0.02 . 1 . . . A 525 GLU HG2 . 18091 1 63 . 1 1 7 7 GLU HG3 H 1 2.14 0.02 . 1 . . . A 525 GLU HG3 . 18091 1 64 . 1 1 7 7 GLU C C 13 176.90 0.05 . 1 . . . A 525 GLU C . 18091 1 65 . 1 1 7 7 GLU CA C 13 56.04 0.05 . 1 . . . A 525 GLU CA . 18091 1 66 . 1 1 7 7 GLU CB C 13 31.07 0.05 . 1 . . . A 525 GLU CB . 18091 1 67 . 1 1 7 7 GLU CG C 13 36.43 0.05 . 1 . . . A 525 GLU CG . 18091 1 68 . 1 1 7 7 GLU N N 15 120.97 0.05 . 1 . . . A 525 GLU N . 18091 1 69 . 1 1 8 8 THR H H 1 8.63 0.02 . 1 . . . A 526 THR H . 18091 1 70 . 1 1 8 8 THR HA H 1 4.54 0.02 . 1 . . . A 526 THR HA . 18091 1 71 . 1 1 8 8 THR HB H 1 4.51 0.02 . 1 . . . A 526 THR HB . 18091 1 72 . 1 1 8 8 THR HG21 H 1 1.21 0.02 . 1 . . . A 526 THR HG21 . 18091 1 73 . 1 1 8 8 THR HG22 H 1 1.21 0.02 . 1 . . . A 526 THR HG22 . 18091 1 74 . 1 1 8 8 THR HG23 H 1 1.21 0.02 . 1 . . . A 526 THR HG23 . 18091 1 75 . 1 1 8 8 THR C C 13 173.41 0.05 . 1 . . . A 526 THR C . 18091 1 76 . 1 1 8 8 THR CA C 13 60.08 0.05 . 1 . . . A 526 THR CA . 18091 1 77 . 1 1 8 8 THR CB C 13 68.50 0.05 . 1 . . . A 526 THR CB . 18091 1 78 . 1 1 8 8 THR CG2 C 13 21.76 0.05 . 1 . . . A 526 THR CG2 . 18091 1 79 . 1 1 8 8 THR N N 15 116.96 0.05 . 1 . . . A 526 THR N . 18091 1 80 . 1 1 9 9 PRO HA H 1 4.19 0.02 . 1 . . . A 527 PRO HA . 18091 1 81 . 1 1 9 9 PRO HB2 H 1 1.79 0.02 . 1 . . . A 527 PRO HB2 . 18091 1 82 . 1 1 9 9 PRO HB3 H 1 2.23 0.02 . 1 . . . A 527 PRO HB3 . 18091 1 83 . 1 1 9 9 PRO HG2 H 1 2.05 0.02 . 1 . . . A 527 PRO HG2 . 18091 1 84 . 1 1 9 9 PRO HG3 H 1 2.05 0.02 . 1 . . . A 527 PRO HG3 . 18091 1 85 . 1 1 9 9 PRO HD2 H 1 3.78 0.02 . 2 . . . A 527 PRO HD2 . 18091 1 86 . 1 1 9 9 PRO HD3 H 1 3.74 0.02 . 2 . . . A 527 PRO HD3 . 18091 1 87 . 1 1 9 9 PRO CA C 13 65.11 0.05 . 1 . . . A 527 PRO CA . 18091 1 88 . 1 1 9 9 PRO CB C 13 31.58 0.05 . 1 . . . A 527 PRO CB . 18091 1 89 . 1 1 9 9 PRO CG C 13 27.97 0.05 . 1 . . . A 527 PRO CG . 18091 1 90 . 1 1 9 9 PRO CD C 13 50.26 0.05 . 1 . . . A 527 PRO CD . 18091 1 91 . 1 1 10 10 GLU H H 1 8.55 0.02 . 1 . . . A 528 GLU H . 18091 1 92 . 1 1 10 10 GLU HA H 1 3.98 0.02 . 1 . . . A 528 GLU HA . 18091 1 93 . 1 1 10 10 GLU HB2 H 1 1.85 0.02 . 1 . . . A 528 GLU HB2 . 18091 1 94 . 1 1 10 10 GLU HB3 H 1 1.85 0.02 . 1 . . . A 528 GLU HB3 . 18091 1 95 . 1 1 10 10 GLU HG2 H 1 2.12 0.02 . 1 . . . A 528 GLU HG2 . 18091 1 96 . 1 1 10 10 GLU HG3 H 1 2.12 0.02 . 1 . . . A 528 GLU HG3 . 18091 1 97 . 1 1 10 10 GLU C C 13 178.55 0.05 . 1 . . . A 528 GLU C . 18091 1 98 . 1 1 10 10 GLU CA C 13 59.58 0.05 . 1 . . . A 528 GLU CA . 18091 1 99 . 1 1 10 10 GLU CB C 13 28.99 0.05 . 1 . . . A 528 GLU CB . 18091 1 100 . 1 1 10 10 GLU CG C 13 36.49 0.05 . 1 . . . A 528 GLU CG . 18091 1 101 . 1 1 10 10 GLU N N 15 118.61 0.05 . 1 . . . A 528 GLU N . 18091 1 102 . 1 1 11 11 GLU H H 1 7.87 0.02 . 1 . . . A 529 GLU H . 18091 1 103 . 1 1 11 11 GLU HA H 1 3.93 0.02 . 1 . . . A 529 GLU HA . 18091 1 104 . 1 1 11 11 GLU HB2 H 1 2.20 0.02 . 1 . . . A 529 GLU HB2 . 18091 1 105 . 1 1 11 11 GLU HB3 H 1 1.87 0.02 . 1 . . . A 529 GLU HB3 . 18091 1 106 . 1 1 11 11 GLU HG2 H 1 2.15 0.02 . 2 . . . A 529 GLU HG2 . 18091 1 107 . 1 1 11 11 GLU HG3 H 1 2.22 0.02 . 2 . . . A 529 GLU HG3 . 18091 1 108 . 1 1 11 11 GLU C C 13 179.47 0.05 . 1 . . . A 529 GLU C . 18091 1 109 . 1 1 11 11 GLU CA C 13 58.95 0.05 . 1 . . . A 529 GLU CA . 18091 1 110 . 1 1 11 11 GLU CB C 13 29.48 0.05 . 1 . . . A 529 GLU CB . 18091 1 111 . 1 1 11 11 GLU CG C 13 37.03 0.05 . 1 . . . A 529 GLU CG . 18091 1 112 . 1 1 11 11 GLU N N 15 121.09 0.05 . 1 . . . A 529 GLU N . 18091 1 113 . 1 1 12 12 THR H H 1 8.39 0.02 . 1 . . . A 530 THR H . 18091 1 114 . 1 1 12 12 THR HA H 1 3.75 0.02 . 1 . . . A 530 THR HA . 18091 1 115 . 1 1 12 12 THR HB H 1 3.98 0.02 . 1 . . . A 530 THR HB . 18091 1 116 . 1 1 12 12 THR HG21 H 1 1.07 0.02 . 1 . . . A 530 THR HG21 . 18091 1 117 . 1 1 12 12 THR HG22 H 1 1.07 0.02 . 1 . . . A 530 THR HG22 . 18091 1 118 . 1 1 12 12 THR HG23 H 1 1.07 0.02 . 1 . . . A 530 THR HG23 . 18091 1 119 . 1 1 12 12 THR C C 13 175.77 0.05 . 1 . . . A 530 THR C . 18091 1 120 . 1 1 12 12 THR CA C 13 66.32 0.05 . 1 . . . A 530 THR CA . 18091 1 121 . 1 1 12 12 THR CB C 13 68.43 0.05 . 1 . . . A 530 THR CB . 18091 1 122 . 1 1 12 12 THR CG2 C 13 22.34 0.05 . 1 . . . A 530 THR CG2 . 18091 1 123 . 1 1 12 12 THR N N 15 118.05 0.05 . 1 . . . A 530 THR N . 18091 1 124 . 1 1 13 13 TYR H H 1 8.05 0.02 . 1 . . . A 531 TYR H . 18091 1 125 . 1 1 13 13 TYR HA H 1 3.82 0.02 . 1 . . . A 531 TYR HA . 18091 1 126 . 1 1 13 13 TYR HB2 H 1 2.97 0.02 . 1 . . . A 531 TYR HB2 . 18091 1 127 . 1 1 13 13 TYR HB3 H 1 2.97 0.02 . 1 . . . A 531 TYR HB3 . 18091 1 128 . 1 1 13 13 TYR HD1 H 1 6.89 0.02 . 1 . . . A 531 TYR HD1 . 18091 1 129 . 1 1 13 13 TYR HD2 H 1 6.89 0.02 . 1 . . . A 531 TYR HD2 . 18091 1 130 . 1 1 13 13 TYR HE1 H 1 6.64 0.02 . 1 . . . A 531 TYR HE1 . 18091 1 131 . 1 1 13 13 TYR HE2 H 1 6.64 0.02 . 1 . . . A 531 TYR HE2 . 18091 1 132 . 1 1 13 13 TYR C C 13 176.42 0.05 . 1 . . . A 531 TYR C . 18091 1 133 . 1 1 13 13 TYR CA C 13 61.44 0.05 . 1 . . . A 531 TYR CA . 18091 1 134 . 1 1 13 13 TYR CB C 13 38.11 0.05 . 1 . . . A 531 TYR CB . 18091 1 135 . 1 1 13 13 TYR CD1 C 13 132.70 0.05 . 1 . . . A 531 TYR CD1 . 18091 1 136 . 1 1 13 13 TYR CD2 C 13 132.70 0.05 . 1 . . . A 531 TYR CD2 . 18091 1 137 . 1 1 13 13 TYR CE1 C 13 118.01 0.05 . 1 . . . A 531 TYR CE1 . 18091 1 138 . 1 1 13 13 TYR CE2 C 13 118.01 0.05 . 1 . . . A 531 TYR CE2 . 18091 1 139 . 1 1 13 13 TYR N N 15 122.28 0.05 . 1 . . . A 531 TYR N . 18091 1 140 . 1 1 14 14 GLN H H 1 8.01 0.02 . 1 . . . A 532 GLN H . 18091 1 141 . 1 1 14 14 GLN HA H 1 3.69 0.02 . 1 . . . A 532 GLN HA . 18091 1 142 . 1 1 14 14 GLN HB2 H 1 1.98 0.02 . 1 . . . A 532 GLN HB2 . 18091 1 143 . 1 1 14 14 GLN HB3 H 1 1.98 0.02 . 1 . . . A 532 GLN HB3 . 18091 1 144 . 1 1 14 14 GLN HG2 H 1 2.24 0.02 . 2 . . . A 532 GLN HG2 . 18091 1 145 . 1 1 14 14 GLN HG3 H 1 2.38 0.02 . 2 . . . A 532 GLN HG3 . 18091 1 146 . 1 1 14 14 GLN HE21 H 1 6.79 0.02 . 1 . . . A 532 GLN HE21 . 18091 1 147 . 1 1 14 14 GLN HE22 H 1 7.52 0.02 . 1 . . . A 532 GLN HE22 . 18091 1 148 . 1 1 14 14 GLN C C 13 178.80 0.05 . 1 . . . A 532 GLN C . 18091 1 149 . 1 1 14 14 GLN CA C 13 58.62 0.05 . 1 . . . A 532 GLN CA . 18091 1 150 . 1 1 14 14 GLN CB C 13 28.06 0.05 . 1 . . . A 532 GLN CB . 18091 1 151 . 1 1 14 14 GLN CG C 13 33.69 0.05 . 1 . . . A 532 GLN CG . 18091 1 152 . 1 1 14 14 GLN N N 15 116.25 0.05 . 1 . . . A 532 GLN N . 18091 1 153 . 1 1 14 14 GLN NE2 N 15 111.92 0.05 . 1 . . . A 532 GLN NE2 . 18091 1 154 . 1 1 15 15 ARG H H 1 7.80 0.02 . 1 . . . A 533 ARG H . 18091 1 155 . 1 1 15 15 ARG HA H 1 3.92 0.02 . 1 . . . A 533 ARG HA . 18091 1 156 . 1 1 15 15 ARG HB2 H 1 1.85 0.02 . 1 . . . A 533 ARG HB2 . 18091 1 157 . 1 1 15 15 ARG HB3 H 1 1.85 0.02 . 1 . . . A 533 ARG HB3 . 18091 1 158 . 1 1 15 15 ARG HG2 H 1 1.58 0.02 . 1 . . . A 533 ARG HG2 . 18091 1 159 . 1 1 15 15 ARG HG3 H 1 1.58 0.02 . 1 . . . A 533 ARG HG3 . 18091 1 160 . 1 1 15 15 ARG HD2 H 1 3.15 0.02 . 1 . . . A 533 ARG HD2 . 18091 1 161 . 1 1 15 15 ARG HD3 H 1 3.15 0.02 . 1 . . . A 533 ARG HD3 . 18091 1 162 . 1 1 15 15 ARG C C 13 179.03 0.05 . 1 . . . A 533 ARG C . 18091 1 163 . 1 1 15 15 ARG CA C 13 59.14 0.05 . 1 . . . A 533 ARG CA . 18091 1 164 . 1 1 15 15 ARG CB C 13 29.80 0.05 . 1 . . . A 533 ARG CB . 18091 1 165 . 1 1 15 15 ARG CG C 13 27.06 0.05 . 1 . . . A 533 ARG CG . 18091 1 166 . 1 1 15 15 ARG CD C 13 42.97 0.05 . 1 . . . A 533 ARG CD . 18091 1 167 . 1 1 15 15 ARG N N 15 118.73 0.05 . 1 . . . A 533 ARG N . 18091 1 168 . 1 1 16 16 ALA H H 1 8.21 0.02 . 1 . . . A 534 ALA H . 18091 1 169 . 1 1 16 16 ALA HA H 1 3.96 0.02 . 1 . . . A 534 ALA HA . 18091 1 170 . 1 1 16 16 ALA HB1 H 1 1.28 0.02 . 1 . . . A 534 ALA HB1 . 18091 1 171 . 1 1 16 16 ALA HB2 H 1 1.28 0.02 . 1 . . . A 534 ALA HB2 . 18091 1 172 . 1 1 16 16 ALA HB3 H 1 1.28 0.02 . 1 . . . A 534 ALA HB3 . 18091 1 173 . 1 1 16 16 ALA C C 13 178.86 0.05 . 1 . . . A 534 ALA C . 18091 1 174 . 1 1 16 16 ALA CA C 13 54.67 0.05 . 1 . . . A 534 ALA CA . 18091 1 175 . 1 1 16 16 ALA CB C 13 18.73 0.05 . 1 . . . A 534 ALA CB . 18091 1 176 . 1 1 16 16 ALA N N 15 123.50 0.05 . 1 . . . A 534 ALA N . 18091 1 177 . 1 1 17 17 MET H H 1 7.48 0.02 . 1 . . . A 535 MET H . 18091 1 178 . 1 1 17 17 MET HA H 1 4.02 0.02 . 1 . . . A 535 MET HA . 18091 1 179 . 1 1 17 17 MET HB2 H 1 1.77 0.02 . 1 . . . A 535 MET HB2 . 18091 1 180 . 1 1 17 17 MET HB3 H 1 1.77 0.02 . 1 . . . A 535 MET HB3 . 18091 1 181 . 1 1 17 17 MET HG2 H 1 2.06 0.02 . 1 . . . A 535 MET HG2 . 18091 1 182 . 1 1 17 17 MET HG3 H 1 2.06 0.02 . 1 . . . A 535 MET HG3 . 18091 1 183 . 1 1 17 17 MET HE1 H 1 1.75 0.02 . 1 . . . A 535 MET HE1 . 18091 1 184 . 1 1 17 17 MET HE2 H 1 1.75 0.02 . 1 . . . A 535 MET HE2 . 18091 1 185 . 1 1 17 17 MET HE3 H 1 1.75 0.02 . 1 . . . A 535 MET HE3 . 18091 1 186 . 1 1 17 17 MET C C 13 176.89 0.05 . 1 . . . A 535 MET C . 18091 1 187 . 1 1 17 17 MET CA C 13 55.20 0.05 . 1 . . . A 535 MET CA . 18091 1 188 . 1 1 17 17 MET CB C 13 31.11 0.05 . 1 . . . A 535 MET CB . 18091 1 189 . 1 1 17 17 MET CG C 13 32.56 0.05 . 1 . . . A 535 MET CG . 18091 1 190 . 1 1 17 17 MET CE C 13 16.61 0.05 . 1 . . . A 535 MET CE . 18091 1 191 . 1 1 17 17 MET N N 15 111.91 0.05 . 1 . . . A 535 MET N . 18091 1 192 . 1 1 18 18 LYS H H 1 7.18 0.02 . 1 . . . A 536 LYS H . 18091 1 193 . 1 1 18 18 LYS HA H 1 3.99 0.02 . 1 . . . A 536 LYS HA . 18091 1 194 . 1 1 18 18 LYS HB2 H 1 1.81 0.02 . 1 . . . A 536 LYS HB2 . 18091 1 195 . 1 1 18 18 LYS HB3 H 1 1.70 0.02 . 1 . . . A 536 LYS HB3 . 18091 1 196 . 1 1 18 18 LYS HG2 H 1 1.53 0.02 . 1 . . . A 536 LYS HG2 . 18091 1 197 . 1 1 18 18 LYS HG3 H 1 1.53 0.02 . 1 . . . A 536 LYS HG3 . 18091 1 198 . 1 1 18 18 LYS HD2 H 1 1.55 0.02 . 1 . . . A 536 LYS HD2 . 18091 1 199 . 1 1 18 18 LYS HD3 H 1 1.55 0.02 . 1 . . . A 536 LYS HD3 . 18091 1 200 . 1 1 18 18 LYS HE2 H 1 2.85 0.02 . 1 . . . A 536 LYS HE2 . 18091 1 201 . 1 1 18 18 LYS HE3 H 1 2.85 0.02 . 1 . . . A 536 LYS HE3 . 18091 1 202 . 1 1 18 18 LYS C C 13 176.69 0.05 . 1 . . . A 536 LYS C . 18091 1 203 . 1 1 18 18 LYS CA C 13 56.59 0.05 . 1 . . . A 536 LYS CA . 18091 1 204 . 1 1 18 18 LYS CB C 13 32.34 0.05 . 1 . . . A 536 LYS CB . 18091 1 205 . 1 1 18 18 LYS CG C 13 25.06 0.05 . 1 . . . A 536 LYS CG . 18091 1 206 . 1 1 18 18 LYS CD C 13 28.92 0.05 . 1 . . . A 536 LYS CD . 18091 1 207 . 1 1 18 18 LYS CE C 13 42.00 0.05 . 1 . . . A 536 LYS CE . 18091 1 208 . 1 1 18 18 LYS N N 15 116.84 0.05 . 1 . . . A 536 LYS N . 18091 1 209 . 1 1 19 19 ASP H H 1 7.53 0.02 . 1 . . . A 537 ASP H . 18091 1 210 . 1 1 19 19 ASP HA H 1 4.80 0.02 . 1 . . . A 537 ASP HA . 18091 1 211 . 1 1 19 19 ASP HB2 H 1 3.00 0.02 . 1 . . . A 537 ASP HB2 . 18091 1 212 . 1 1 19 19 ASP HB3 H 1 2.54 0.02 . 1 . . . A 537 ASP HB3 . 18091 1 213 . 1 1 19 19 ASP C C 13 174.72 0.05 . 1 . . . A 537 ASP C . 18091 1 214 . 1 1 19 19 ASP CA C 13 51.09 0.05 . 1 . . . A 537 ASP CA . 18091 1 215 . 1 1 19 19 ASP CB C 13 41.97 0.05 . 1 . . . A 537 ASP CB . 18091 1 216 . 1 1 19 19 ASP N N 15 122.68 0.05 . 1 . . . A 537 ASP N . 18091 1 217 . 1 1 20 20 PRO HA H 1 4.14 0.02 . 1 . . . A 538 PRO HA . 18091 1 218 . 1 1 20 20 PRO HB2 H 1 1.88 0.02 . 1 . . . A 538 PRO HB2 . 18091 1 219 . 1 1 20 20 PRO HB3 H 1 2.23 0.02 . 1 . . . A 538 PRO HB3 . 18091 1 220 . 1 1 20 20 PRO HG2 H 1 1.94 0.02 . 1 . . . A 538 PRO HG2 . 18091 1 221 . 1 1 20 20 PRO HG3 H 1 1.94 0.02 . 1 . . . A 538 PRO HG3 . 18091 1 222 . 1 1 20 20 PRO HD2 H 1 3.98 0.02 . 2 . . . A 538 PRO HD2 . 18091 1 223 . 1 1 20 20 PRO HD3 H 1 3.77 0.02 . 2 . . . A 538 PRO HD3 . 18091 1 224 . 1 1 20 20 PRO CA C 13 64.75 0.05 . 1 . . . A 538 PRO CA . 18091 1 225 . 1 1 20 20 PRO CB C 13 32.12 0.05 . 1 . . . A 538 PRO CB . 18091 1 226 . 1 1 20 20 PRO CG C 13 27.38 0.05 . 1 . . . A 538 PRO CG . 18091 1 227 . 1 1 20 20 PRO CD C 13 50.95 0.05 . 1 . . . A 538 PRO CD . 18091 1 228 . 1 1 21 21 GLU H H 1 8.20 0.02 . 1 . . . A 539 GLU H . 18091 1 229 . 1 1 21 21 GLU HA H 1 4.01 0.02 . 1 . . . A 539 GLU HA . 18091 1 230 . 1 1 21 21 GLU HB2 H 1 1.91 0.02 . 1 . . . A 539 GLU HB2 . 18091 1 231 . 1 1 21 21 GLU HB3 H 1 1.94 0.02 . 1 . . . A 539 GLU HB3 . 18091 1 232 . 1 1 21 21 GLU HG2 H 1 2.05 0.02 . 2 . . . A 539 GLU HG2 . 18091 1 233 . 1 1 21 21 GLU HG3 H 1 2.23 0.02 . 2 . . . A 539 GLU HG3 . 18091 1 234 . 1 1 21 21 GLU C C 13 179.01 0.05 . 1 . . . A 539 GLU C . 18091 1 235 . 1 1 21 21 GLU CA C 13 58.85 0.05 . 1 . . . A 539 GLU CA . 18091 1 236 . 1 1 21 21 GLU CB C 13 29.34 0.05 . 1 . . . A 539 GLU CB . 18091 1 237 . 1 1 21 21 GLU CG C 13 36.46 0.05 . 1 . . . A 539 GLU CG . 18091 1 238 . 1 1 21 21 GLU N N 15 118.59 0.05 . 1 . . . A 539 GLU N . 18091 1 239 . 1 1 22 22 VAL H H 1 7.35 0.02 . 1 . . . A 540 VAL H . 18091 1 240 . 1 1 22 22 VAL HA H 1 3.23 0.02 . 1 . . . A 540 VAL HA . 18091 1 241 . 1 1 22 22 VAL HB H 1 2.28 0.02 . 1 . . . A 540 VAL HB . 18091 1 242 . 1 1 22 22 VAL HG11 H 1 0.52 0.02 . 1 . . . A 540 VAL HG11 . 18091 1 243 . 1 1 22 22 VAL HG12 H 1 0.52 0.02 . 1 . . . A 540 VAL HG12 . 18091 1 244 . 1 1 22 22 VAL HG13 H 1 0.52 0.02 . 1 . . . A 540 VAL HG13 . 18091 1 245 . 1 1 22 22 VAL HG21 H 1 0.72 0.02 . 1 . . . A 540 VAL HG21 . 18091 1 246 . 1 1 22 22 VAL HG22 H 1 0.72 0.02 . 1 . . . A 540 VAL HG22 . 18091 1 247 . 1 1 22 22 VAL HG23 H 1 0.72 0.02 . 1 . . . A 540 VAL HG23 . 18091 1 248 . 1 1 22 22 VAL C C 13 177.74 0.05 . 1 . . . A 540 VAL C . 18091 1 249 . 1 1 22 22 VAL CA C 13 66.09 0.05 . 1 . . . A 540 VAL CA . 18091 1 250 . 1 1 22 22 VAL CB C 13 31.35 0.05 . 1 . . . A 540 VAL CB . 18091 1 251 . 1 1 22 22 VAL CG1 C 13 22.05 0.05 . 1 . . . A 540 VAL CG1 . 18091 1 252 . 1 1 22 22 VAL CG2 C 13 23.00 0.05 . 1 . . . A 540 VAL CG2 . 18091 1 253 . 1 1 22 22 VAL N N 15 120.69 0.05 . 1 . . . A 540 VAL N . 18091 1 254 . 1 1 23 23 ALA H H 1 8.43 0.02 . 1 . . . A 541 ALA H . 18091 1 255 . 1 1 23 23 ALA HA H 1 3.77 0.02 . 1 . . . A 541 ALA HA . 18091 1 256 . 1 1 23 23 ALA HB1 H 1 1.28 0.02 . 1 . . . A 541 ALA HB1 . 18091 1 257 . 1 1 23 23 ALA HB2 H 1 1.28 0.02 . 1 . . . A 541 ALA HB2 . 18091 1 258 . 1 1 23 23 ALA HB3 H 1 1.28 0.02 . 1 . . . A 541 ALA HB3 . 18091 1 259 . 1 1 23 23 ALA C C 13 179.66 0.05 . 1 . . . A 541 ALA C . 18091 1 260 . 1 1 23 23 ALA CA C 13 55.39 0.05 . 1 . . . A 541 ALA CA . 18091 1 261 . 1 1 23 23 ALA CB C 13 17.71 0.05 . 1 . . . A 541 ALA CB . 18091 1 262 . 1 1 23 23 ALA N N 15 121.46 0.05 . 1 . . . A 541 ALA N . 18091 1 263 . 1 1 24 24 ALA H H 1 7.38 0.02 . 1 . . . A 542 ALA H . 18091 1 264 . 1 1 24 24 ALA HA H 1 3.94 0.02 . 1 . . . A 542 ALA HA . 18091 1 265 . 1 1 24 24 ALA HB1 H 1 1.36 0.02 . 1 . . . A 542 ALA HB1 . 18091 1 266 . 1 1 24 24 ALA HB2 H 1 1.36 0.02 . 1 . . . A 542 ALA HB2 . 18091 1 267 . 1 1 24 24 ALA HB3 H 1 1.36 0.02 . 1 . . . A 542 ALA HB3 . 18091 1 268 . 1 1 24 24 ALA C C 13 180.88 0.05 . 1 . . . A 542 ALA C . 18091 1 269 . 1 1 24 24 ALA CA C 13 54.70 0.05 . 1 . . . A 542 ALA CA . 18091 1 270 . 1 1 24 24 ALA CB C 13 17.95 0.05 . 1 . . . A 542 ALA CB . 18091 1 271 . 1 1 24 24 ALA N N 15 117.00 0.05 . 1 . . . A 542 ALA N . 18091 1 272 . 1 1 25 25 ILE H H 1 7.38 0.02 . 1 . . . A 543 ILE H . 18091 1 273 . 1 1 25 25 ILE HA H 1 3.69 0.02 . 1 . . . A 543 ILE HA . 18091 1 274 . 1 1 25 25 ILE HB H 1 1.86 0.02 . 1 . . . A 543 ILE HB . 18091 1 275 . 1 1 25 25 ILE HG12 H 1 0.76 0.02 . 1 . . . A 543 ILE HG12 . 18091 1 276 . 1 1 25 25 ILE HG13 H 1 1.93 0.02 . 1 . . . A 543 ILE HG13 . 18091 1 277 . 1 1 25 25 ILE HG21 H 1 0.78 0.02 . 1 . . . A 543 ILE HG21 . 18091 1 278 . 1 1 25 25 ILE HG22 H 1 0.78 0.02 . 1 . . . A 543 ILE HG22 . 18091 1 279 . 1 1 25 25 ILE HG23 H 1 0.78 0.02 . 1 . . . A 543 ILE HG23 . 18091 1 280 . 1 1 25 25 ILE HD11 H 1 0.86 0.02 . 1 . . . A 543 ILE HD11 . 18091 1 281 . 1 1 25 25 ILE HD12 H 1 0.86 0.02 . 1 . . . A 543 ILE HD12 . 18091 1 282 . 1 1 25 25 ILE HD13 H 1 0.86 0.02 . 1 . . . A 543 ILE HD13 . 18091 1 283 . 1 1 25 25 ILE C C 13 177.45 0.05 . 1 . . . A 543 ILE C . 18091 1 284 . 1 1 25 25 ILE CA C 13 64.96 0.05 . 1 . . . A 543 ILE CA . 18091 1 285 . 1 1 25 25 ILE CB C 13 38.28 0.05 . 1 . . . A 543 ILE CB . 18091 1 286 . 1 1 25 25 ILE CG1 C 13 29.64 0.05 . 1 . . . A 543 ILE CG1 . 18091 1 287 . 1 1 25 25 ILE CG2 C 13 19.43 0.05 . 1 . . . A 543 ILE CG2 . 18091 1 288 . 1 1 25 25 ILE CD1 C 13 14.03 0.05 . 1 . . . A 543 ILE CD1 . 18091 1 289 . 1 1 25 25 ILE N N 15 119.75 0.05 . 1 . . . A 543 ILE N . 18091 1 290 . 1 1 26 26 MET H H 1 7.87 0.02 . 1 . . . A 544 MET H . 18091 1 291 . 1 1 26 26 MET HA H 1 4.14 0.02 . 1 . . . A 544 MET HA . 18091 1 292 . 1 1 26 26 MET HB2 H 1 1.95 0.02 . 1 . . . A 544 MET HB2 . 18091 1 293 . 1 1 26 26 MET HB3 H 1 1.87 0.02 . 1 . . . A 544 MET HB3 . 18091 1 294 . 1 1 26 26 MET HG2 H 1 2.31 0.02 . 2 . . . A 544 MET HG2 . 18091 1 295 . 1 1 26 26 MET HG3 H 1 2.46 0.02 . 2 . . . A 544 MET HG3 . 18091 1 296 . 1 1 26 26 MET HE1 H 1 1.83 0.02 . 1 . . . A 544 MET HE1 . 18091 1 297 . 1 1 26 26 MET HE2 H 1 1.83 0.02 . 1 . . . A 544 MET HE2 . 18091 1 298 . 1 1 26 26 MET HE3 H 1 1.83 0.02 . 1 . . . A 544 MET HE3 . 18091 1 299 . 1 1 26 26 MET C C 13 177.68 0.05 . 1 . . . A 544 MET C . 18091 1 300 . 1 1 26 26 MET CA C 13 55.66 0.05 . 1 . . . A 544 MET CA . 18091 1 301 . 1 1 26 26 MET CB C 13 30.69 0.05 . 1 . . . A 544 MET CB . 18091 1 302 . 1 1 26 26 MET CG C 13 32.07 0.05 . 1 . . . A 544 MET CG . 18091 1 303 . 1 1 26 26 MET CE C 13 16.10 0.05 . 1 . . . A 544 MET CE . 18091 1 304 . 1 1 26 26 MET N N 15 113.83 0.05 . 1 . . . A 544 MET N . 18091 1 305 . 1 1 27 27 GLN H H 1 7.34 0.02 . 1 . . . A 545 GLN H . 18091 1 306 . 1 1 27 27 GLN HA H 1 4.08 0.02 . 1 . . . A 545 GLN HA . 18091 1 307 . 1 1 27 27 GLN HB2 H 1 1.95 0.02 . 1 . . . A 545 GLN HB2 . 18091 1 308 . 1 1 27 27 GLN HB3 H 1 2.09 0.02 . 1 . . . A 545 GLN HB3 . 18091 1 309 . 1 1 27 27 GLN HG2 H 1 2.33 0.02 . 1 . . . A 545 GLN HG2 . 18091 1 310 . 1 1 27 27 GLN HG3 H 1 2.33 0.02 . 1 . . . A 545 GLN HG3 . 18091 1 311 . 1 1 27 27 GLN HE21 H 1 6.72 0.02 . 1 . . . A 545 GLN HE21 . 18091 1 312 . 1 1 27 27 GLN HE22 H 1 7.20 0.02 . 1 . . . A 545 GLN HE22 . 18091 1 313 . 1 1 27 27 GLN C C 13 175.17 0.05 . 1 . . . A 545 GLN C . 18091 1 314 . 1 1 27 27 GLN CA C 13 55.44 0.05 . 1 . . . A 545 GLN CA . 18091 1 315 . 1 1 27 27 GLN CB C 13 28.99 0.05 . 1 . . . A 545 GLN CB . 18091 1 316 . 1 1 27 27 GLN CG C 13 33.79 0.05 . 1 . . . A 545 GLN CG . 18091 1 317 . 1 1 27 27 GLN N N 15 115.21 0.05 . 1 . . . A 545 GLN N . 18091 1 318 . 1 1 27 27 GLN NE2 N 15 111.41 0.05 . 1 . . . A 545 GLN NE2 . 18091 1 319 . 1 1 28 28 ASP H H 1 7.32 0.02 . 1 . . . A 546 ASP H . 18091 1 320 . 1 1 28 28 ASP HA H 1 4.72 0.02 . 1 . . . A 546 ASP HA . 18091 1 321 . 1 1 28 28 ASP HB2 H 1 3.06 0.02 . 1 . . . A 546 ASP HB2 . 18091 1 322 . 1 1 28 28 ASP HB3 H 1 2.66 0.02 . 1 . . . A 546 ASP HB3 . 18091 1 323 . 1 1 28 28 ASP C C 13 175.22 0.05 . 1 . . . A 546 ASP C . 18091 1 324 . 1 1 28 28 ASP CA C 13 51.34 0.05 . 1 . . . A 546 ASP CA . 18091 1 325 . 1 1 28 28 ASP CB C 13 42.38 0.05 . 1 . . . A 546 ASP CB . 18091 1 326 . 1 1 28 28 ASP N N 15 123.27 0.05 . 1 . . . A 546 ASP N . 18091 1 327 . 1 1 29 29 PRO HA H 1 4.12 0.02 . 1 . . . A 547 PRO HA . 18091 1 328 . 1 1 29 29 PRO HB2 H 1 2.27 0.02 . 2 . . . A 547 PRO HB2 . 18091 1 329 . 1 1 29 29 PRO HB3 H 1 1.87 0.02 . 2 . . . A 547 PRO HB3 . 18091 1 330 . 1 1 29 29 PRO HG2 H 1 2.04 0.02 . 1 . . . A 547 PRO HG2 . 18091 1 331 . 1 1 29 29 PRO HG3 H 1 2.04 0.02 . 1 . . . A 547 PRO HG3 . 18091 1 332 . 1 1 29 29 PRO HD2 H 1 3.88 0.02 . 1 . . . A 547 PRO HD2 . 18091 1 333 . 1 1 29 29 PRO HD3 H 1 3.88 0.02 . 1 . . . A 547 PRO HD3 . 18091 1 334 . 1 1 29 29 PRO CA C 13 64.92 0.05 . 1 . . . A 547 PRO CA . 18091 1 335 . 1 1 29 29 PRO CB C 13 32.26 0.05 . 1 . . . A 547 PRO CB . 18091 1 336 . 1 1 29 29 PRO CG C 13 27.48 0.05 . 1 . . . A 547 PRO CG . 18091 1 337 . 1 1 29 29 PRO CD C 13 51.12 0.05 . 1 . . . A 547 PRO CD . 18091 1 338 . 1 1 30 30 VAL H H 1 8.00 0.02 . 1 . . . A 548 VAL H . 18091 1 339 . 1 1 30 30 VAL HA H 1 3.58 0.02 . 1 . . . A 548 VAL HA . 18091 1 340 . 1 1 30 30 VAL HB H 1 2.07 0.02 . 1 . . . A 548 VAL HB . 18091 1 341 . 1 1 30 30 VAL HG11 H 1 0.73 0.02 . 1 . . . A 548 VAL HG11 . 18091 1 342 . 1 1 30 30 VAL HG12 H 1 0.73 0.02 . 1 . . . A 548 VAL HG12 . 18091 1 343 . 1 1 30 30 VAL HG13 H 1 0.73 0.02 . 1 . . . A 548 VAL HG13 . 18091 1 344 . 1 1 30 30 VAL HG21 H 1 0.89 0.02 . 1 . . . A 548 VAL HG21 . 18091 1 345 . 1 1 30 30 VAL HG22 H 1 0.89 0.02 . 1 . . . A 548 VAL HG22 . 18091 1 346 . 1 1 30 30 VAL HG23 H 1 0.89 0.02 . 1 . . . A 548 VAL HG23 . 18091 1 347 . 1 1 30 30 VAL C C 13 179.01 0.05 . 1 . . . A 548 VAL C . 18091 1 348 . 1 1 30 30 VAL CA C 13 66.00 0.05 . 1 . . . A 548 VAL CA . 18091 1 349 . 1 1 30 30 VAL CB C 13 31.11 0.05 . 1 . . . A 548 VAL CB . 18091 1 350 . 1 1 30 30 VAL CG1 C 13 20.23 0.05 . 1 . . . A 548 VAL CG1 . 18091 1 351 . 1 1 30 30 VAL CG2 C 13 22.40 0.05 . 1 . . . A 548 VAL CG2 . 18091 1 352 . 1 1 30 30 VAL N N 15 119.87 0.05 . 1 . . . A 548 VAL N . 18091 1 353 . 1 1 31 31 MET H H 1 7.25 0.02 . 1 . . . A 549 MET H . 18091 1 354 . 1 1 31 31 MET HA H 1 4.34 0.02 . 1 . . . A 549 MET HA . 18091 1 355 . 1 1 31 31 MET HB2 H 1 1.72 0.02 . 1 . . . A 549 MET HB2 . 18091 1 356 . 1 1 31 31 MET HB3 H 1 2.38 0.02 . 1 . . . A 549 MET HB3 . 18091 1 357 . 1 1 31 31 MET HG2 H 1 2.40 0.02 . 2 . . . A 549 MET HG2 . 18091 1 358 . 1 1 31 31 MET HG3 H 1 2.65 0.02 . 2 . . . A 549 MET HG3 . 18091 1 359 . 1 1 31 31 MET HE1 H 1 1.58 0.02 . 1 . . . A 549 MET HE1 . 18091 1 360 . 1 1 31 31 MET HE2 H 1 1.58 0.02 . 1 . . . A 549 MET HE2 . 18091 1 361 . 1 1 31 31 MET HE3 H 1 1.58 0.02 . 1 . . . A 549 MET HE3 . 18091 1 362 . 1 1 31 31 MET C C 13 178.83 0.05 . 1 . . . A 549 MET C . 18091 1 363 . 1 1 31 31 MET CA C 13 55.14 0.05 . 1 . . . A 549 MET CA . 18091 1 364 . 1 1 31 31 MET CB C 13 28.84 0.05 . 1 . . . A 549 MET CB . 18091 1 365 . 1 1 31 31 MET CG C 13 31.39 0.05 . 1 . . . A 549 MET CG . 18091 1 366 . 1 1 31 31 MET CE C 13 14.21 0.05 . 1 . . . A 549 MET CE . 18091 1 367 . 1 1 31 31 MET N N 15 118.27 0.05 . 1 . . . A 549 MET N . 18091 1 368 . 1 1 32 32 GLN H H 1 8.31 0.02 . 1 . . . A 550 GLN H . 18091 1 369 . 1 1 32 32 GLN HA H 1 3.74 0.02 . 1 . . . A 550 GLN HA . 18091 1 370 . 1 1 32 32 GLN HB2 H 1 1.95 0.02 . 1 . . . A 550 GLN HB2 . 18091 1 371 . 1 1 32 32 GLN HB3 H 1 1.95 0.02 . 1 . . . A 550 GLN HB3 . 18091 1 372 . 1 1 32 32 GLN HG2 H 1 2.39 0.02 . 1 . . . A 550 GLN HG2 . 18091 1 373 . 1 1 32 32 GLN HG3 H 1 2.39 0.02 . 1 . . . A 550 GLN HG3 . 18091 1 374 . 1 1 32 32 GLN HE21 H 1 6.59 0.02 . 1 . . . A 550 GLN HE21 . 18091 1 375 . 1 1 32 32 GLN HE22 H 1 7.46 0.02 . 1 . . . A 550 GLN HE22 . 18091 1 376 . 1 1 32 32 GLN C C 13 178.84 0.05 . 1 . . . A 550 GLN C . 18091 1 377 . 1 1 32 32 GLN CA C 13 59.42 0.05 . 1 . . . A 550 GLN CA . 18091 1 378 . 1 1 32 32 GLN CB C 13 27.66 0.05 . 1 . . . A 550 GLN CB . 18091 1 379 . 1 1 32 32 GLN CG C 13 33.61 0.05 . 1 . . . A 550 GLN CG . 18091 1 380 . 1 1 32 32 GLN N N 15 118.19 0.05 . 1 . . . A 550 GLN N . 18091 1 381 . 1 1 32 32 GLN NE2 N 15 110.56 0.05 . 1 . . . A 550 GLN NE2 . 18091 1 382 . 1 1 33 33 SER H H 1 7.57 0.02 . 1 . . . A 551 SER H . 18091 1 383 . 1 1 33 33 SER HA H 1 4.14 0.02 . 1 . . . A 551 SER HA . 18091 1 384 . 1 1 33 33 SER HB2 H 1 3.88 0.02 . 1 . . . A 551 SER HB2 . 18091 1 385 . 1 1 33 33 SER HB3 H 1 3.88 0.02 . 1 . . . A 551 SER HB3 . 18091 1 386 . 1 1 33 33 SER C C 13 176.84 0.05 . 1 . . . A 551 SER C . 18091 1 387 . 1 1 33 33 SER CA C 13 61.33 0.05 . 1 . . . A 551 SER CA . 18091 1 388 . 1 1 33 33 SER CB C 13 62.45 0.05 . 1 . . . A 551 SER CB . 18091 1 389 . 1 1 33 33 SER N N 15 114.01 0.05 . 1 . . . A 551 SER N . 18091 1 390 . 1 1 34 34 ILE H H 1 7.60 0.02 . 1 . . . A 552 ILE H . 18091 1 391 . 1 1 34 34 ILE HA H 1 3.28 0.02 . 1 . . . A 552 ILE HA . 18091 1 392 . 1 1 34 34 ILE HB H 1 1.68 0.02 . 1 . . . A 552 ILE HB . 18091 1 393 . 1 1 34 34 ILE HG12 H 1 1.45 0.02 . 1 . . . A 552 ILE HG12 . 18091 1 394 . 1 1 34 34 ILE HG13 H 1 -0.13 0.02 . 1 . . . A 552 ILE HG13 . 18091 1 395 . 1 1 34 34 ILE HG21 H 1 0.37 0.02 . 1 . . . A 552 ILE HG21 . 18091 1 396 . 1 1 34 34 ILE HG22 H 1 0.37 0.02 . 1 . . . A 552 ILE HG22 . 18091 1 397 . 1 1 34 34 ILE HG23 H 1 0.37 0.02 . 1 . . . A 552 ILE HG23 . 18091 1 398 . 1 1 34 34 ILE HD11 H 1 0.42 0.02 . 1 . . . A 552 ILE HD11 . 18091 1 399 . 1 1 34 34 ILE HD12 H 1 0.42 0.02 . 1 . . . A 552 ILE HD12 . 18091 1 400 . 1 1 34 34 ILE HD13 H 1 0.42 0.02 . 1 . . . A 552 ILE HD13 . 18091 1 401 . 1 1 34 34 ILE C C 13 177.63 0.05 . 1 . . . A 552 ILE C . 18091 1 402 . 1 1 34 34 ILE CA C 13 65.68 0.05 . 1 . . . A 552 ILE CA . 18091 1 403 . 1 1 34 34 ILE CB C 13 37.72 0.05 . 1 . . . A 552 ILE CB . 18091 1 404 . 1 1 34 34 ILE CG1 C 13 28.67 0.05 . 1 . . . A 552 ILE CG1 . 18091 1 405 . 1 1 34 34 ILE CG2 C 13 15.42 0.05 . 1 . . . A 552 ILE CG2 . 18091 1 406 . 1 1 34 34 ILE CD1 C 13 13.94 0.05 . 1 . . . A 552 ILE CD1 . 18091 1 407 . 1 1 34 34 ILE N N 15 123.49 0.05 . 1 . . . A 552 ILE N . 18091 1 408 . 1 1 35 35 LEU H H 1 8.33 0.02 . 1 . . . A 553 LEU H . 18091 1 409 . 1 1 35 35 LEU HA H 1 3.75 0.02 . 1 . . . A 553 LEU HA . 18091 1 410 . 1 1 35 35 LEU HB2 H 1 1.36 0.02 . 1 . . . A 553 LEU HB2 . 18091 1 411 . 1 1 35 35 LEU HB3 H 1 1.59 0.02 . 1 . . . A 553 LEU HB3 . 18091 1 412 . 1 1 35 35 LEU HG H 1 1.57 0.02 . 1 . . . A 553 LEU HG . 18091 1 413 . 1 1 35 35 LEU HD11 H 1 0.62 0.02 . 1 . . . A 553 LEU HD11 . 18091 1 414 . 1 1 35 35 LEU HD12 H 1 0.62 0.02 . 1 . . . A 553 LEU HD12 . 18091 1 415 . 1 1 35 35 LEU HD13 H 1 0.62 0.02 . 1 . . . A 553 LEU HD13 . 18091 1 416 . 1 1 35 35 LEU HD21 H 1 0.57 0.02 . 1 . . . A 553 LEU HD21 . 18091 1 417 . 1 1 35 35 LEU HD22 H 1 0.57 0.02 . 1 . . . A 553 LEU HD22 . 18091 1 418 . 1 1 35 35 LEU HD23 H 1 0.57 0.02 . 1 . . . A 553 LEU HD23 . 18091 1 419 . 1 1 35 35 LEU C C 13 179.44 0.05 . 1 . . . A 553 LEU C . 18091 1 420 . 1 1 35 35 LEU CA C 13 57.95 0.05 . 1 . . . A 553 LEU CA . 18091 1 421 . 1 1 35 35 LEU CB C 13 40.70 0.05 . 1 . . . A 553 LEU CB . 18091 1 422 . 1 1 35 35 LEU CG C 13 27.10 0.05 . 1 . . . A 553 LEU CG . 18091 1 423 . 1 1 35 35 LEU CD1 C 13 24.92 0.05 . 1 . . . A 553 LEU CD1 . 18091 1 424 . 1 1 35 35 LEU CD2 C 13 22.84 0.05 . 1 . . . A 553 LEU CD2 . 18091 1 425 . 1 1 35 35 LEU N N 15 119.52 0.05 . 1 . . . A 553 LEU N . 18091 1 426 . 1 1 36 36 GLN H H 1 7.80 0.02 . 1 . . . A 554 GLN H . 18091 1 427 . 1 1 36 36 GLN HA H 1 3.92 0.02 . 1 . . . A 554 GLN HA . 18091 1 428 . 1 1 36 36 GLN HB2 H 1 1.82 0.02 . 1 . . . A 554 GLN HB2 . 18091 1 429 . 1 1 36 36 GLN HB3 H 1 1.82 0.02 . 1 . . . A 554 GLN HB3 . 18091 1 430 . 1 1 36 36 GLN HG2 H 1 2.28 0.02 . 1 . . . A 554 GLN HG2 . 18091 1 431 . 1 1 36 36 GLN HG3 H 1 2.28 0.02 . 1 . . . A 554 GLN HG3 . 18091 1 432 . 1 1 36 36 GLN HE21 H 1 6.76 0.02 . 1 . . . A 554 GLN HE21 . 18091 1 433 . 1 1 36 36 GLN HE22 H 1 7.33 0.02 . 1 . . . A 554 GLN HE22 . 18091 1 434 . 1 1 36 36 GLN C C 13 178.56 0.05 . 1 . . . A 554 GLN C . 18091 1 435 . 1 1 36 36 GLN CA C 13 58.66 0.05 . 1 . . . A 554 GLN CA . 18091 1 436 . 1 1 36 36 GLN CB C 13 28.06 0.05 . 1 . . . A 554 GLN CB . 18091 1 437 . 1 1 36 36 GLN CG C 13 33.72 0.05 . 1 . . . A 554 GLN CG . 18091 1 438 . 1 1 36 36 GLN N N 15 118.59 0.05 . 1 . . . A 554 GLN N . 18091 1 439 . 1 1 36 36 GLN NE2 N 15 111.54 0.05 . 1 . . . A 554 GLN NE2 . 18091 1 440 . 1 1 37 37 GLN H H 1 7.99 0.02 . 1 . . . A 555 GLN H . 18091 1 441 . 1 1 37 37 GLN HA H 1 3.93 0.02 . 1 . . . A 555 GLN HA . 18091 1 442 . 1 1 37 37 GLN HB2 H 1 2.06 0.02 . 1 . . . A 555 GLN HB2 . 18091 1 443 . 1 1 37 37 GLN HB3 H 1 2.06 0.02 . 1 . . . A 555 GLN HB3 . 18091 1 444 . 1 1 37 37 GLN HG2 H 1 2.50 0.02 . 1 . . . A 555 GLN HG2 . 18091 1 445 . 1 1 37 37 GLN HG3 H 1 2.50 0.02 . 1 . . . A 555 GLN HG3 . 18091 1 446 . 1 1 37 37 GLN HE21 H 1 6.95 0.02 . 1 . . . A 555 GLN HE21 . 18091 1 447 . 1 1 37 37 GLN HE22 H 1 7.29 0.02 . 1 . . . A 555 GLN HE22 . 18091 1 448 . 1 1 37 37 GLN C C 13 178.40 0.05 . 1 . . . A 555 GLN C . 18091 1 449 . 1 1 37 37 GLN CA C 13 58.53 0.05 . 1 . . . A 555 GLN CA . 18091 1 450 . 1 1 37 37 GLN CB C 13 28.79 0.05 . 1 . . . A 555 GLN CB . 18091 1 451 . 1 1 37 37 GLN CG C 13 34.11 0.05 . 1 . . . A 555 GLN CG . 18091 1 452 . 1 1 37 37 GLN N N 15 119.52 0.05 . 1 . . . A 555 GLN N . 18091 1 453 . 1 1 37 37 GLN NE2 N 15 112.34 0.05 . 1 . . . A 555 GLN NE2 . 18091 1 454 . 1 1 38 38 ALA H H 1 8.31 0.02 . 1 . . . A 556 ALA H . 18091 1 455 . 1 1 38 38 ALA HA H 1 4.11 0.02 . 1 . . . A 556 ALA HA . 18091 1 456 . 1 1 38 38 ALA HB1 H 1 1.34 0.02 . 1 . . . A 556 ALA HB1 . 18091 1 457 . 1 1 38 38 ALA HB2 H 1 1.34 0.02 . 1 . . . A 556 ALA HB2 . 18091 1 458 . 1 1 38 38 ALA HB3 H 1 1.34 0.02 . 1 . . . A 556 ALA HB3 . 18091 1 459 . 1 1 38 38 ALA C C 13 178.31 0.05 . 1 . . . A 556 ALA C . 18091 1 460 . 1 1 38 38 ALA CA C 13 53.50 0.05 . 1 . . . A 556 ALA CA . 18091 1 461 . 1 1 38 38 ALA CB C 13 18.37 0.05 . 1 . . . A 556 ALA CB . 18091 1 462 . 1 1 38 38 ALA N N 15 120.73 0.05 . 1 . . . A 556 ALA N . 18091 1 463 . 1 1 39 39 GLN H H 1 7.53 0.02 . 1 . . . A 557 GLN H . 18091 1 464 . 1 1 39 39 GLN HA H 1 3.96 0.02 . 1 . . . A 557 GLN HA . 18091 1 465 . 1 1 39 39 GLN HB2 H 1 2.04 0.02 . 1 . . . A 557 GLN HB2 . 18091 1 466 . 1 1 39 39 GLN HB3 H 1 2.04 0.02 . 1 . . . A 557 GLN HB3 . 18091 1 467 . 1 1 39 39 GLN HG2 H 1 2.35 0.02 . 1 . . . A 557 GLN HG2 . 18091 1 468 . 1 1 39 39 GLN HG3 H 1 2.35 0.02 . 1 . . . A 557 GLN HG3 . 18091 1 469 . 1 1 39 39 GLN C C 13 177.26 0.05 . 1 . . . A 557 GLN C . 18091 1 470 . 1 1 39 39 GLN CA C 13 57.92 0.05 . 1 . . . A 557 GLN CA . 18091 1 471 . 1 1 39 39 GLN CB C 13 28.48 0.05 . 1 . . . A 557 GLN CB . 18091 1 472 . 1 1 39 39 GLN CG C 13 33.76 0.05 . 1 . . . A 557 GLN CG . 18091 1 473 . 1 1 39 39 GLN N N 15 115.60 0.05 . 1 . . . A 557 GLN N . 18091 1 474 . 1 1 40 40 GLN H H 1 7.35 0.02 . 1 . . . A 558 GLN H . 18091 1 475 . 1 1 40 40 GLN HA H 1 4.18 0.02 . 1 . . . A 558 GLN HA . 18091 1 476 . 1 1 40 40 GLN HB2 H 1 1.94 0.02 . 1 . . . A 558 GLN HB2 . 18091 1 477 . 1 1 40 40 GLN HB3 H 1 2.09 0.02 . 1 . . . A 558 GLN HB3 . 18091 1 478 . 1 1 40 40 GLN HG2 H 1 2.34 0.02 . 1 . . . A 558 GLN HG2 . 18091 1 479 . 1 1 40 40 GLN HG3 H 1 2.34 0.02 . 1 . . . A 558 GLN HG3 . 18091 1 480 . 1 1 40 40 GLN HE21 H 1 6.77 0.02 . 1 . . . A 558 GLN HE21 . 18091 1 481 . 1 1 40 40 GLN HE22 H 1 7.44 0.02 . 1 . . . A 558 GLN HE22 . 18091 1 482 . 1 1 40 40 GLN C C 13 176.03 0.05 . 1 . . . A 558 GLN C . 18091 1 483 . 1 1 40 40 GLN CA C 13 56.55 0.05 . 1 . . . A 558 GLN CA . 18091 1 484 . 1 1 40 40 GLN CB C 13 29.32 0.05 . 1 . . . A 558 GLN CB . 18091 1 485 . 1 1 40 40 GLN CG C 13 33.69 0.05 . 1 . . . A 558 GLN CG . 18091 1 486 . 1 1 40 40 GLN N N 15 115.31 0.05 . 1 . . . A 558 GLN N . 18091 1 487 . 1 1 40 40 GLN NE2 N 15 111.99 0.05 . 1 . . . A 558 GLN NE2 . 18091 1 488 . 1 1 41 41 ASN H H 1 7.90 0.02 . 1 . . . A 559 ASN H . 18091 1 489 . 1 1 41 41 ASN HA H 1 4.95 0.02 . 1 . . . A 559 ASN HA . 18091 1 490 . 1 1 41 41 ASN HB2 H 1 2.88 0.02 . 1 . . . A 559 ASN HB2 . 18091 1 491 . 1 1 41 41 ASN HB3 H 1 2.68 0.02 . 1 . . . A 559 ASN HB3 . 18091 1 492 . 1 1 41 41 ASN HD21 H 1 6.93 0.02 . 1 . . . A 559 ASN HD21 . 18091 1 493 . 1 1 41 41 ASN HD22 H 1 7.62 0.02 . 1 . . . A 559 ASN HD22 . 18091 1 494 . 1 1 41 41 ASN C C 13 172.42 0.05 . 1 . . . A 559 ASN C . 18091 1 495 . 1 1 41 41 ASN CA C 13 50.43 0.05 . 1 . . . A 559 ASN CA . 18091 1 496 . 1 1 41 41 ASN CB C 13 38.88 0.05 . 1 . . . A 559 ASN CB . 18091 1 497 . 1 1 41 41 ASN N N 15 114.85 0.05 . 1 . . . A 559 ASN N . 18091 1 498 . 1 1 41 41 ASN ND2 N 15 111.59 0.05 . 1 . . . A 559 ASN ND2 . 18091 1 499 . 1 1 42 42 PRO HA H 1 4.33 0.02 . 1 . . . A 560 PRO HA . 18091 1 500 . 1 1 42 42 PRO HB2 H 1 1.89 0.02 . 1 . . . A 560 PRO HB2 . 18091 1 501 . 1 1 42 42 PRO HB3 H 1 2.31 0.02 . 1 . . . A 560 PRO HB3 . 18091 1 502 . 1 1 42 42 PRO HG2 H 1 1.99 0.02 . 1 . . . A 560 PRO HG2 . 18091 1 503 . 1 1 42 42 PRO HG3 H 1 1.99 0.02 . 1 . . . A 560 PRO HG3 . 18091 1 504 . 1 1 42 42 PRO HD2 H 1 3.78 0.02 . 2 . . . A 560 PRO HD2 . 18091 1 505 . 1 1 42 42 PRO HD3 H 1 3.48 0.02 . 2 . . . A 560 PRO HD3 . 18091 1 506 . 1 1 42 42 PRO CA C 13 65.00 0.05 . 1 . . . A 560 PRO CA . 18091 1 507 . 1 1 42 42 PRO CB C 13 31.68 0.05 . 1 . . . A 560 PRO CB . 18091 1 508 . 1 1 42 42 PRO CG C 13 27.05 0.05 . 1 . . . A 560 PRO CG . 18091 1 509 . 1 1 42 42 PRO CD C 13 50.25 0.05 . 1 . . . A 560 PRO CD . 18091 1 510 . 1 1 43 43 ALA H H 1 7.85 0.02 . 1 . . . A 561 ALA H . 18091 1 511 . 1 1 43 43 ALA HA H 1 4.13 0.02 . 1 . . . A 561 ALA HA . 18091 1 512 . 1 1 43 43 ALA HB1 H 1 1.33 0.02 . 1 . . . A 561 ALA HB1 . 18091 1 513 . 1 1 43 43 ALA HB2 H 1 1.33 0.02 . 1 . . . A 561 ALA HB2 . 18091 1 514 . 1 1 43 43 ALA HB3 H 1 1.33 0.02 . 1 . . . A 561 ALA HB3 . 18091 1 515 . 1 1 43 43 ALA C C 13 179.51 0.05 . 1 . . . A 561 ALA C . 18091 1 516 . 1 1 43 43 ALA CA C 13 54.05 0.05 . 1 . . . A 561 ALA CA . 18091 1 517 . 1 1 43 43 ALA CB C 13 18.05 0.05 . 1 . . . A 561 ALA CB . 18091 1 518 . 1 1 43 43 ALA N N 15 119.92 0.05 . 1 . . . A 561 ALA N . 18091 1 519 . 1 1 44 44 ALA H H 1 7.98 0.02 . 1 . . . A 562 ALA H . 18091 1 520 . 1 1 44 44 ALA HA H 1 4.02 0.02 . 1 . . . A 562 ALA HA . 18091 1 521 . 1 1 44 44 ALA HB1 H 1 1.37 0.02 . 1 . . . A 562 ALA HB1 . 18091 1 522 . 1 1 44 44 ALA HB2 H 1 1.37 0.02 . 1 . . . A 562 ALA HB2 . 18091 1 523 . 1 1 44 44 ALA HB3 H 1 1.37 0.02 . 1 . . . A 562 ALA HB3 . 18091 1 524 . 1 1 44 44 ALA C C 13 179.57 0.05 . 1 . . . A 562 ALA C . 18091 1 525 . 1 1 44 44 ALA CA C 13 54.12 0.05 . 1 . . . A 562 ALA CA . 18091 1 526 . 1 1 44 44 ALA CB C 13 18.20 0.05 . 1 . . . A 562 ALA CB . 18091 1 527 . 1 1 44 44 ALA N N 15 120.79 0.05 . 1 . . . A 562 ALA N . 18091 1 528 . 1 1 45 45 LEU H H 1 7.51 0.02 . 1 . . . A 563 LEU H . 18091 1 529 . 1 1 45 45 LEU HA H 1 3.98 0.02 . 1 . . . A 563 LEU HA . 18091 1 530 . 1 1 45 45 LEU HB2 H 1 1.60 0.02 . 1 . . . A 563 LEU HB2 . 18091 1 531 . 1 1 45 45 LEU HB3 H 1 1.67 0.02 . 1 . . . A 563 LEU HB3 . 18091 1 532 . 1 1 45 45 LEU HG H 1 1.44 0.02 . 1 . . . A 563 LEU HG . 18091 1 533 . 1 1 45 45 LEU HD11 H 1 0.69 0.02 . 2 . . . A 563 LEU HD11 . 18091 1 534 . 1 1 45 45 LEU HD12 H 1 0.69 0.02 . 2 . . . A 563 LEU HD12 . 18091 1 535 . 1 1 45 45 LEU HD13 H 1 0.69 0.02 . 2 . . . A 563 LEU HD13 . 18091 1 536 . 1 1 45 45 LEU HD21 H 1 0.73 0.02 . 2 . . . A 563 LEU HD21 . 18091 1 537 . 1 1 45 45 LEU HD22 H 1 0.73 0.02 . 2 . . . A 563 LEU HD22 . 18091 1 538 . 1 1 45 45 LEU HD23 H 1 0.73 0.02 . 2 . . . A 563 LEU HD23 . 18091 1 539 . 1 1 45 45 LEU C C 13 178.22 0.05 . 1 . . . A 563 LEU C . 18091 1 540 . 1 1 45 45 LEU CA C 13 57.64 0.05 . 1 . . . A 563 LEU CA . 18091 1 541 . 1 1 45 45 LEU CB C 13 41.69 0.05 . 1 . . . A 563 LEU CB . 18091 1 542 . 1 1 45 45 LEU CG C 13 26.93 0.05 . 1 . . . A 563 LEU CG . 18091 1 543 . 1 1 45 45 LEU CD1 C 13 24.39 0.05 . 2 . . . A 563 LEU CD1 . 18091 1 544 . 1 1 45 45 LEU CD2 C 13 23.97 0.05 . 2 . . . A 563 LEU CD2 . 18091 1 545 . 1 1 45 45 LEU N N 15 116.42 0.05 . 1 . . . A 563 LEU N . 18091 1 546 . 1 1 46 46 GLN H H 1 7.51 0.02 . 1 . . . A 564 GLN H . 18091 1 547 . 1 1 46 46 GLN HA H 1 3.86 0.02 . 1 . . . A 564 GLN HA . 18091 1 548 . 1 1 46 46 GLN HB2 H 1 2.04 0.02 . 1 . . . A 564 GLN HB2 . 18091 1 549 . 1 1 46 46 GLN HB3 H 1 2.04 0.02 . 1 . . . A 564 GLN HB3 . 18091 1 550 . 1 1 46 46 GLN HG2 H 1 2.31 0.02 . 1 . . . A 564 GLN HG2 . 18091 1 551 . 1 1 46 46 GLN HG3 H 1 2.31 0.02 . 1 . . . A 564 GLN HG3 . 18091 1 552 . 1 1 46 46 GLN HE21 H 1 6.73 0.02 . 1 . . . A 564 GLN HE21 . 18091 1 553 . 1 1 46 46 GLN HE22 H 1 7.32 0.02 . 1 . . . A 564 GLN HE22 . 18091 1 554 . 1 1 46 46 GLN C C 13 178.30 0.05 . 1 . . . A 564 GLN C . 18091 1 555 . 1 1 46 46 GLN CA C 13 58.72 0.05 . 1 . . . A 564 GLN CA . 18091 1 556 . 1 1 46 46 GLN CB C 13 28.02 0.05 . 1 . . . A 564 GLN CB . 18091 1 557 . 1 1 46 46 GLN CG C 13 33.67 0.05 . 1 . . . A 564 GLN CG . 18091 1 558 . 1 1 46 46 GLN N N 15 115.51 0.05 . 1 . . . A 564 GLN N . 18091 1 559 . 1 1 46 46 GLN NE2 N 15 111.56 0.05 . 1 . . . A 564 GLN NE2 . 18091 1 560 . 1 1 47 47 GLU H H 1 7.44 0.02 . 1 . . . A 565 GLU H . 18091 1 561 . 1 1 47 47 GLU HA H 1 3.90 0.02 . 1 . . . A 565 GLU HA . 18091 1 562 . 1 1 47 47 GLU HB2 H 1 1.75 0.02 . 1 . . . A 565 GLU HB2 . 18091 1 563 . 1 1 47 47 GLU HB3 H 1 1.66 0.02 . 1 . . . A 565 GLU HB3 . 18091 1 564 . 1 1 47 47 GLU HG2 H 1 1.96 0.02 . 1 . . . A 565 GLU HG2 . 18091 1 565 . 1 1 47 47 GLU HG3 H 1 1.96 0.02 . 1 . . . A 565 GLU HG3 . 18091 1 566 . 1 1 47 47 GLU C C 13 179.07 0.05 . 1 . . . A 565 GLU C . 18091 1 567 . 1 1 47 47 GLU CA C 13 58.38 0.05 . 1 . . . A 565 GLU CA . 18091 1 568 . 1 1 47 47 GLU CB C 13 28.99 0.05 . 1 . . . A 565 GLU CB . 18091 1 569 . 1 1 47 47 GLU CG C 13 35.19 0.05 . 1 . . . A 565 GLU CG . 18091 1 570 . 1 1 47 47 GLU N N 15 117.68 0.05 . 1 . . . A 565 GLU N . 18091 1 571 . 1 1 48 48 HIS H H 1 7.42 0.02 . 1 . . . A 566 HIS H . 18091 1 572 . 1 1 48 48 HIS HA H 1 4.38 0.02 . 1 . . . A 566 HIS HA . 18091 1 573 . 1 1 48 48 HIS HB2 H 1 3.01 0.02 . 1 . . . A 566 HIS HB2 . 18091 1 574 . 1 1 48 48 HIS HB3 H 1 2.81 0.02 . 1 . . . A 566 HIS HB3 . 18091 1 575 . 1 1 48 48 HIS HD1 H 1 6.85 0.02 . 1 . . . A 566 HIS HD1 . 18091 1 576 . 1 1 48 48 HIS HD2 H 1 6.83 0.02 . 1 . . . A 566 HIS HD2 . 18091 1 577 . 1 1 48 48 HIS HE1 H 1 7.60 0.02 . 1 . . . A 566 HIS HE1 . 18091 1 578 . 1 1 48 48 HIS C C 13 177.28 0.05 . 1 . . . A 566 HIS C . 18091 1 579 . 1 1 48 48 HIS CA C 13 58.86 0.05 . 1 . . . A 566 HIS CA . 18091 1 580 . 1 1 48 48 HIS CB C 13 31.44 0.05 . 1 . . . A 566 HIS CB . 18091 1 581 . 1 1 48 48 HIS CD2 C 13 118.37 0.05 . 1 . . . A 566 HIS CD2 . 18091 1 582 . 1 1 48 48 HIS CE1 C 13 139.13 0.05 . 1 . . . A 566 HIS CE1 . 18091 1 583 . 1 1 48 48 HIS N N 15 118.22 0.05 . 1 . . . A 566 HIS N . 18091 1 584 . 1 1 49 49 MET H H 1 7.71 0.02 . 1 . . . A 567 MET H . 18091 1 585 . 1 1 49 49 MET HA H 1 3.84 0.02 . 1 . . . A 567 MET HA . 18091 1 586 . 1 1 49 49 MET HB2 H 1 1.98 0.02 . 1 . . . A 567 MET HB2 . 18091 1 587 . 1 1 49 49 MET HB3 H 1 2.14 0.02 . 1 . . . A 567 MET HB3 . 18091 1 588 . 1 1 49 49 MET HG2 H 1 2.63 0.02 . 1 . . . A 567 MET HG2 . 18091 1 589 . 1 1 49 49 MET HG3 H 1 2.16 0.02 . 1 . . . A 567 MET HG3 . 18091 1 590 . 1 1 49 49 MET HE1 H 1 1.84 0.02 . 1 . . . A 567 MET HE1 . 18091 1 591 . 1 1 49 49 MET HE2 H 1 1.84 0.02 . 1 . . . A 567 MET HE2 . 18091 1 592 . 1 1 49 49 MET HE3 H 1 1.84 0.02 . 1 . . . A 567 MET HE3 . 18091 1 593 . 1 1 49 49 MET C C 13 175.26 0.05 . 1 . . . A 567 MET C . 18091 1 594 . 1 1 49 49 MET CA C 13 57.84 0.05 . 1 . . . A 567 MET CA . 18091 1 595 . 1 1 49 49 MET CB C 13 33.08 0.05 . 1 . . . A 567 MET CB . 18091 1 596 . 1 1 49 49 MET CG C 13 33.27 0.05 . 1 . . . A 567 MET CG . 18091 1 597 . 1 1 49 49 MET CE C 13 17.00 0.05 . 1 . . . A 567 MET CE . 18091 1 598 . 1 1 49 49 MET N N 15 115.20 0.05 . 1 . . . A 567 MET N . 18091 1 599 . 1 1 50 50 LYS H H 1 7.14 0.02 . 1 . . . A 568 LYS H . 18091 1 600 . 1 1 50 50 LYS HA H 1 3.96 0.02 . 1 . . . A 568 LYS HA . 18091 1 601 . 1 1 50 50 LYS HB2 H 1 1.83 0.02 . 1 . . . A 568 LYS HB2 . 18091 1 602 . 1 1 50 50 LYS HB3 H 1 1.68 0.02 . 1 . . . A 568 LYS HB3 . 18091 1 603 . 1 1 50 50 LYS HG2 H 1 1.27 0.02 . 2 . . . A 568 LYS HG2 . 18091 1 604 . 1 1 50 50 LYS HG3 H 1 1.48 0.02 . 2 . . . A 568 LYS HG3 . 18091 1 605 . 1 1 50 50 LYS HD2 H 1 1.53 0.02 . 1 . . . A 568 LYS HD2 . 18091 1 606 . 1 1 50 50 LYS HD3 H 1 1.53 0.02 . 1 . . . A 568 LYS HD3 . 18091 1 607 . 1 1 50 50 LYS HE2 H 1 2.83 0.02 . 1 . . . A 568 LYS HE2 . 18091 1 608 . 1 1 50 50 LYS HE3 H 1 2.83 0.02 . 1 . . . A 568 LYS HE3 . 18091 1 609 . 1 1 50 50 LYS C C 13 176.22 0.05 . 1 . . . A 568 LYS C . 18091 1 610 . 1 1 50 50 LYS CA C 13 57.39 0.05 . 1 . . . A 568 LYS CA . 18091 1 611 . 1 1 50 50 LYS CB C 13 32.22 0.05 . 1 . . . A 568 LYS CB . 18091 1 612 . 1 1 50 50 LYS CG C 13 25.19 0.05 . 1 . . . A 568 LYS CG . 18091 1 613 . 1 1 50 50 LYS CD C 13 29.19 0.05 . 1 . . . A 568 LYS CD . 18091 1 614 . 1 1 50 50 LYS CE C 13 42.01 0.05 . 1 . . . A 568 LYS CE . 18091 1 615 . 1 1 50 50 LYS N N 15 116.04 0.05 . 1 . . . A 568 LYS N . 18091 1 616 . 1 1 51 51 ASN H H 1 7.48 0.02 . 1 . . . A 569 ASN H . 18091 1 617 . 1 1 51 51 ASN HA H 1 5.02 0.02 . 1 . . . A 569 ASN HA . 18091 1 618 . 1 1 51 51 ASN HB2 H 1 3.24 0.02 . 1 . . . A 569 ASN HB2 . 18091 1 619 . 1 1 51 51 ASN HB3 H 1 2.81 0.02 . 1 . . . A 569 ASN HB3 . 18091 1 620 . 1 1 51 51 ASN HD21 H 1 7.25 0.02 . 1 . . . A 569 ASN HD21 . 18091 1 621 . 1 1 51 51 ASN HD22 H 1 7.96 0.02 . 1 . . . A 569 ASN HD22 . 18091 1 622 . 1 1 51 51 ASN C C 13 173.92 0.05 . 1 . . . A 569 ASN C . 18091 1 623 . 1 1 51 51 ASN CA C 13 49.95 0.05 . 1 . . . A 569 ASN CA . 18091 1 624 . 1 1 51 51 ASN CB C 13 39.00 0.05 . 1 . . . A 569 ASN CB . 18091 1 625 . 1 1 51 51 ASN N N 15 119.60 0.05 . 1 . . . A 569 ASN N . 18091 1 626 . 1 1 51 51 ASN ND2 N 15 113.80 0.05 . 1 . . . A 569 ASN ND2 . 18091 1 627 . 1 1 52 52 PRO HA H 1 4.26 0.02 . 1 . . . A 570 PRO HA . 18091 1 628 . 1 1 52 52 PRO HB2 H 1 1.94 0.02 . 1 . . . A 570 PRO HB2 . 18091 1 629 . 1 1 52 52 PRO HB3 H 1 2.30 0.02 . 1 . . . A 570 PRO HB3 . 18091 1 630 . 1 1 52 52 PRO HG2 H 1 1.94 0.02 . 1 . . . A 570 PRO HG2 . 18091 1 631 . 1 1 52 52 PRO HG3 H 1 1.94 0.02 . 1 . . . A 570 PRO HG3 . 18091 1 632 . 1 1 52 52 PRO HD2 H 1 4.07 0.02 . 1 . . . A 570 PRO HD2 . 18091 1 633 . 1 1 52 52 PRO HD3 H 1 3.85 0.02 . 1 . . . A 570 PRO HD3 . 18091 1 634 . 1 1 52 52 PRO CA C 13 65.11 0.05 . 1 . . . A 570 PRO CA . 18091 1 635 . 1 1 52 52 PRO CB C 13 32.27 0.05 . 1 . . . A 570 PRO CB . 18091 1 636 . 1 1 52 52 PRO CG C 13 27.34 0.05 . 1 . . . A 570 PRO CG . 18091 1 637 . 1 1 52 52 PRO CD C 13 51.11 0.05 . 1 . . . A 570 PRO CD . 18091 1 638 . 1 1 53 53 GLU H H 1 7.96 0.02 . 1 . . . A 571 GLU H . 18091 1 639 . 1 1 53 53 GLU HA H 1 4.07 0.02 . 1 . . . A 571 GLU HA . 18091 1 640 . 1 1 53 53 GLU HB2 H 1 2.00 0.02 . 1 . . . A 571 GLU HB2 . 18091 1 641 . 1 1 53 53 GLU HB3 H 1 1.96 0.02 . 1 . . . A 571 GLU HB3 . 18091 1 642 . 1 1 53 53 GLU HG2 H 1 2.17 0.02 . 2 . . . A 571 GLU HG2 . 18091 1 643 . 1 1 53 53 GLU HG3 H 1 2.26 0.02 . 2 . . . A 571 GLU HG3 . 18091 1 644 . 1 1 53 53 GLU C C 13 178.83 0.05 . 1 . . . A 571 GLU C . 18091 1 645 . 1 1 53 53 GLU CA C 13 58.88 0.05 . 1 . . . A 571 GLU CA . 18091 1 646 . 1 1 53 53 GLU CB C 13 29.43 0.05 . 1 . . . A 571 GLU CB . 18091 1 647 . 1 1 53 53 GLU CG C 13 36.47 0.05 . 1 . . . A 571 GLU CG . 18091 1 648 . 1 1 53 53 GLU N N 15 116.87 0.05 . 1 . . . A 571 GLU N . 18091 1 649 . 1 1 54 54 VAL H H 1 7.33 0.02 . 1 . . . A 572 VAL H . 18091 1 650 . 1 1 54 54 VAL HA H 1 3.66 0.02 . 1 . . . A 572 VAL HA . 18091 1 651 . 1 1 54 54 VAL HB H 1 2.20 0.02 . 1 . . . A 572 VAL HB . 18091 1 652 . 1 1 54 54 VAL HG11 H 1 0.72 0.02 . 1 . . . A 572 VAL HG11 . 18091 1 653 . 1 1 54 54 VAL HG12 H 1 0.72 0.02 . 1 . . . A 572 VAL HG12 . 18091 1 654 . 1 1 54 54 VAL HG13 H 1 0.72 0.02 . 1 . . . A 572 VAL HG13 . 18091 1 655 . 1 1 54 54 VAL HG21 H 1 0.88 0.02 . 1 . . . A 572 VAL HG21 . 18091 1 656 . 1 1 54 54 VAL HG22 H 1 0.88 0.02 . 1 . . . A 572 VAL HG22 . 18091 1 657 . 1 1 54 54 VAL HG23 H 1 0.88 0.02 . 1 . . . A 572 VAL HG23 . 18091 1 658 . 1 1 54 54 VAL C C 13 177.62 0.05 . 1 . . . A 572 VAL C . 18091 1 659 . 1 1 54 54 VAL CA C 13 65.10 0.05 . 1 . . . A 572 VAL CA . 18091 1 660 . 1 1 54 54 VAL CB C 13 32.21 0.05 . 1 . . . A 572 VAL CB . 18091 1 661 . 1 1 54 54 VAL CG1 C 13 21.93 0.05 . 1 . . . A 572 VAL CG1 . 18091 1 662 . 1 1 54 54 VAL CG2 C 13 21.93 0.05 . 1 . . . A 572 VAL CG2 . 18091 1 663 . 1 1 54 54 VAL N N 15 118.29 0.05 . 1 . . . A 572 VAL N . 18091 1 664 . 1 1 55 55 PHE H H 1 8.70 0.02 . 1 . . . A 573 PHE H . 18091 1 665 . 1 1 55 55 PHE HA H 1 3.89 0.02 . 1 . . . A 573 PHE HA . 18091 1 666 . 1 1 55 55 PHE HB2 H 1 2.98 0.02 . 1 . . . A 573 PHE HB2 . 18091 1 667 . 1 1 55 55 PHE HB3 H 1 3.47 0.02 . 1 . . . A 573 PHE HB3 . 18091 1 668 . 1 1 55 55 PHE HD1 H 1 7.15 0.02 . 1 . . . A 573 PHE HD1 . 18091 1 669 . 1 1 55 55 PHE HD2 H 1 7.15 0.02 . 1 . . . A 573 PHE HD2 . 18091 1 670 . 1 1 55 55 PHE HE1 H 1 7.21 0.02 . 1 . . . A 573 PHE HE1 . 18091 1 671 . 1 1 55 55 PHE HE2 H 1 7.21 0.02 . 1 . . . A 573 PHE HE2 . 18091 1 672 . 1 1 55 55 PHE HZ H 1 7.16 0.02 . 1 . . . A 573 PHE HZ . 18091 1 673 . 1 1 55 55 PHE C C 13 176.76 0.05 . 1 . . . A 573 PHE C . 18091 1 674 . 1 1 55 55 PHE CA C 13 62.23 0.05 . 1 . . . A 573 PHE CA . 18091 1 675 . 1 1 55 55 PHE CB C 13 38.62 0.05 . 1 . . . A 573 PHE CB . 18091 1 676 . 1 1 55 55 PHE CD1 C 13 131.55 0.05 . 1 . . . A 573 PHE CD1 . 18091 1 677 . 1 1 55 55 PHE CD2 C 13 131.55 0.05 . 1 . . . A 573 PHE CD2 . 18091 1 678 . 1 1 55 55 PHE CE1 C 13 131.52 0.05 . 1 . . . A 573 PHE CE1 . 18091 1 679 . 1 1 55 55 PHE CE2 C 13 131.52 0.05 . 1 . . . A 573 PHE CE2 . 18091 1 680 . 1 1 55 55 PHE CZ C 13 130.03 0.05 . 1 . . . A 573 PHE CZ . 18091 1 681 . 1 1 55 55 PHE N N 15 121.09 0.05 . 1 . . . A 573 PHE N . 18091 1 682 . 1 1 56 56 LYS H H 1 7.80 0.02 . 1 . . . A 574 LYS H . 18091 1 683 . 1 1 56 56 LYS HA H 1 3.79 0.02 . 1 . . . A 574 LYS HA . 18091 1 684 . 1 1 56 56 LYS HB2 H 1 1.80 0.02 . 1 . . . A 574 LYS HB2 . 18091 1 685 . 1 1 56 56 LYS HB3 H 1 1.80 0.02 . 1 . . . A 574 LYS HB3 . 18091 1 686 . 1 1 56 56 LYS HG2 H 1 1.35 0.02 . 2 . . . A 574 LYS HG2 . 18091 1 687 . 1 1 56 56 LYS HG3 H 1 1.51 0.02 . 2 . . . A 574 LYS HG3 . 18091 1 688 . 1 1 56 56 LYS HD2 H 1 1.60 0.02 . 1 . . . A 574 LYS HD2 . 18091 1 689 . 1 1 56 56 LYS HD3 H 1 1.60 0.02 . 1 . . . A 574 LYS HD3 . 18091 1 690 . 1 1 56 56 LYS HE2 H 1 2.89 0.02 . 1 . . . A 574 LYS HE2 . 18091 1 691 . 1 1 56 56 LYS HE3 H 1 2.89 0.02 . 1 . . . A 574 LYS HE3 . 18091 1 692 . 1 1 56 56 LYS C C 13 178.98 0.05 . 1 . . . A 574 LYS C . 18091 1 693 . 1 1 56 56 LYS CA C 13 59.48 0.05 . 1 . . . A 574 LYS CA . 18091 1 694 . 1 1 56 56 LYS CB C 13 32.20 0.05 . 1 . . . A 574 LYS CB . 18091 1 695 . 1 1 56 56 LYS CG C 13 25.16 0.05 . 1 . . . A 574 LYS CG . 18091 1 696 . 1 1 56 56 LYS CD C 13 29.16 0.05 . 1 . . . A 574 LYS CD . 18091 1 697 . 1 1 56 56 LYS CE C 13 41.89 0.05 . 1 . . . A 574 LYS CE . 18091 1 698 . 1 1 56 56 LYS N N 15 116.91 0.05 . 1 . . . A 574 LYS N . 18091 1 699 . 1 1 57 57 LYS H H 1 7.17 0.02 . 1 . . . A 575 LYS H . 18091 1 700 . 1 1 57 57 LYS HA H 1 3.91 0.02 . 1 . . . A 575 LYS HA . 18091 1 701 . 1 1 57 57 LYS HB2 H 1 1.61 0.02 . 1 . . . A 575 LYS HB2 . 18091 1 702 . 1 1 57 57 LYS HB3 H 1 1.98 0.02 . 1 . . . A 575 LYS HB3 . 18091 1 703 . 1 1 57 57 LYS HG2 H 1 1.29 0.02 . 1 . . . A 575 LYS HG2 . 18091 1 704 . 1 1 57 57 LYS HG3 H 1 1.68 0.02 . 1 . . . A 575 LYS HG3 . 18091 1 705 . 1 1 57 57 LYS HD2 H 1 1.80 0.02 . 1 . . . A 575 LYS HD2 . 18091 1 706 . 1 1 57 57 LYS HD3 H 1 1.80 0.02 . 1 . . . A 575 LYS HD3 . 18091 1 707 . 1 1 57 57 LYS HE2 H 1 2.87 0.02 . 1 . . . A 575 LYS HE2 . 18091 1 708 . 1 1 57 57 LYS HE3 H 1 2.87 0.02 . 1 . . . A 575 LYS HE3 . 18091 1 709 . 1 1 57 57 LYS C C 13 178.52 0.05 . 1 . . . A 575 LYS C . 18091 1 710 . 1 1 57 57 LYS CA C 13 59.95 0.05 . 1 . . . A 575 LYS CA . 18091 1 711 . 1 1 57 57 LYS CB C 13 33.06 0.05 . 1 . . . A 575 LYS CB . 18091 1 712 . 1 1 57 57 LYS CG C 13 26.51 0.05 . 1 . . . A 575 LYS CG . 18091 1 713 . 1 1 57 57 LYS CD C 13 30.17 0.05 . 1 . . . A 575 LYS CD . 18091 1 714 . 1 1 57 57 LYS CE C 13 42.12 0.05 . 1 . . . A 575 LYS CE . 18091 1 715 . 1 1 57 57 LYS N N 15 119.12 0.05 . 1 . . . A 575 LYS N . 18091 1 716 . 1 1 58 58 ILE H H 1 8.30 0.02 . 1 . . . A 576 ILE H . 18091 1 717 . 1 1 58 58 ILE HA H 1 3.32 0.02 . 1 . . . A 576 ILE HA . 18091 1 718 . 1 1 58 58 ILE HB H 1 1.85 0.02 . 1 . . . A 576 ILE HB . 18091 1 719 . 1 1 58 58 ILE HG12 H 1 0.91 0.02 . 1 . . . A 576 ILE HG12 . 18091 1 720 . 1 1 58 58 ILE HG13 H 1 1.49 0.02 . 1 . . . A 576 ILE HG13 . 18091 1 721 . 1 1 58 58 ILE HG21 H 1 0.67 0.02 . 1 . . . A 576 ILE HG21 . 18091 1 722 . 1 1 58 58 ILE HG22 H 1 0.67 0.02 . 1 . . . A 576 ILE HG22 . 18091 1 723 . 1 1 58 58 ILE HG23 H 1 0.67 0.02 . 1 . . . A 576 ILE HG23 . 18091 1 724 . 1 1 58 58 ILE HD11 H 1 0.57 0.02 . 1 . . . A 576 ILE HD11 . 18091 1 725 . 1 1 58 58 ILE HD12 H 1 0.57 0.02 . 1 . . . A 576 ILE HD12 . 18091 1 726 . 1 1 58 58 ILE HD13 H 1 0.57 0.02 . 1 . . . A 576 ILE HD13 . 18091 1 727 . 1 1 58 58 ILE C C 13 177.82 0.05 . 1 . . . A 576 ILE C . 18091 1 728 . 1 1 58 58 ILE CA C 13 64.53 0.05 . 1 . . . A 576 ILE CA . 18091 1 729 . 1 1 58 58 ILE CB C 13 36.25 0.05 . 1 . . . A 576 ILE CB . 18091 1 730 . 1 1 58 58 ILE CG1 C 13 29.07 0.05 . 1 . . . A 576 ILE CG1 . 18091 1 731 . 1 1 58 58 ILE CG2 C 13 16.92 0.05 . 1 . . . A 576 ILE CG2 . 18091 1 732 . 1 1 58 58 ILE CD1 C 13 12.78 0.05 . 1 . . . A 576 ILE CD1 . 18091 1 733 . 1 1 58 58 ILE N N 15 119.18 0.05 . 1 . . . A 576 ILE N . 18091 1 734 . 1 1 59 59 GLN H H 1 8.18 0.02 . 1 . . . A 577 GLN H . 18091 1 735 . 1 1 59 59 GLN HA H 1 3.67 0.02 . 1 . . . A 577 GLN HA . 18091 1 736 . 1 1 59 59 GLN HB2 H 1 1.80 0.02 . 1 . . . A 577 GLN HB2 . 18091 1 737 . 1 1 59 59 GLN HB3 H 1 1.87 0.02 . 1 . . . A 577 GLN HB3 . 18091 1 738 . 1 1 59 59 GLN HG2 H 1 1.73 0.02 . 2 . . . A 577 GLN HG2 . 18091 1 739 . 1 1 59 59 GLN HG3 H 1 1.85 0.02 . 2 . . . A 577 GLN HG3 . 18091 1 740 . 1 1 59 59 GLN HE21 H 1 6.22 0.02 . 1 . . . A 577 GLN HE21 . 18091 1 741 . 1 1 59 59 GLN HE22 H 1 6.66 0.02 . 1 . . . A 577 GLN HE22 . 18091 1 742 . 1 1 59 59 GLN C C 13 179.25 0.05 . 1 . . . A 577 GLN C . 18091 1 743 . 1 1 59 59 GLN CA C 13 59.12 0.05 . 1 . . . A 577 GLN CA . 18091 1 744 . 1 1 59 59 GLN CB C 13 27.84 0.05 . 1 . . . A 577 GLN CB . 18091 1 745 . 1 1 59 59 GLN CG C 13 33.69 0.05 . 1 . . . A 577 GLN CG . 18091 1 746 . 1 1 59 59 GLN N N 15 118.00 0.05 . 1 . . . A 577 GLN N . 18091 1 747 . 1 1 59 59 GLN NE2 N 15 112.17 0.05 . 1 . . . A 577 GLN NE2 . 18091 1 748 . 1 1 60 60 THR H H 1 7.78 0.02 . 1 . . . A 578 THR H . 18091 1 749 . 1 1 60 60 THR HA H 1 3.76 0.02 . 1 . . . A 578 THR HA . 18091 1 750 . 1 1 60 60 THR HB H 1 4.18 0.02 . 1 . . . A 578 THR HB . 18091 1 751 . 1 1 60 60 THR HG21 H 1 0.94 0.02 . 1 . . . A 578 THR HG21 . 18091 1 752 . 1 1 60 60 THR HG22 H 1 0.94 0.02 . 1 . . . A 578 THR HG22 . 18091 1 753 . 1 1 60 60 THR HG23 H 1 0.94 0.02 . 1 . . . A 578 THR HG23 . 18091 1 754 . 1 1 60 60 THR C C 13 176.06 0.05 . 1 . . . A 578 THR C . 18091 1 755 . 1 1 60 60 THR CA C 13 66.89 0.05 . 1 . . . A 578 THR CA . 18091 1 756 . 1 1 60 60 THR CB C 13 68.03 0.05 . 1 . . . A 578 THR CB . 18091 1 757 . 1 1 60 60 THR CG2 C 13 21.86 0.05 . 1 . . . A 578 THR CG2 . 18091 1 758 . 1 1 60 60 THR N N 15 118.67 0.05 . 1 . . . A 578 THR N . 18091 1 759 . 1 1 61 61 LEU H H 1 7.62 0.02 . 1 . . . A 579 LEU H . 18091 1 760 . 1 1 61 61 LEU HA H 1 3.85 0.02 . 1 . . . A 579 LEU HA . 18091 1 761 . 1 1 61 61 LEU HB2 H 1 1.06 0.02 . 1 . . . A 579 LEU HB2 . 18091 1 762 . 1 1 61 61 LEU HB3 H 1 2.04 0.02 . 1 . . . A 579 LEU HB3 . 18091 1 763 . 1 1 61 61 LEU HG H 1 0.68 0.02 . 1 . . . A 579 LEU HG . 18091 1 764 . 1 1 61 61 LEU HD11 H 1 0.62 0.02 . 1 . . . A 579 LEU HD11 . 18091 1 765 . 1 1 61 61 LEU HD12 H 1 0.62 0.02 . 1 . . . A 579 LEU HD12 . 18091 1 766 . 1 1 61 61 LEU HD13 H 1 0.62 0.02 . 1 . . . A 579 LEU HD13 . 18091 1 767 . 1 1 61 61 LEU HD21 H 1 0.62 0.02 . 1 . . . A 579 LEU HD21 . 18091 1 768 . 1 1 61 61 LEU HD22 H 1 0.62 0.02 . 1 . . . A 579 LEU HD22 . 18091 1 769 . 1 1 61 61 LEU HD23 H 1 0.62 0.02 . 1 . . . A 579 LEU HD23 . 18091 1 770 . 1 1 61 61 LEU C C 13 179.59 0.05 . 1 . . . A 579 LEU C . 18091 1 771 . 1 1 61 61 LEU CA C 13 57.65 0.05 . 1 . . . A 579 LEU CA . 18091 1 772 . 1 1 61 61 LEU CB C 13 40.98 0.05 . 1 . . . A 579 LEU CB . 18091 1 773 . 1 1 61 61 LEU CG C 13 26.30 0.05 . 1 . . . A 579 LEU CG . 18091 1 774 . 1 1 61 61 LEU CD1 C 13 22.20 0.05 . 1 . . . A 579 LEU CD1 . 18091 1 775 . 1 1 61 61 LEU CD2 C 13 22.20 0.05 . 1 . . . A 579 LEU CD2 . 18091 1 776 . 1 1 61 61 LEU N N 15 120.68 0.05 . 1 . . . A 579 LEU N . 18091 1 777 . 1 1 62 62 ILE H H 1 8.54 0.02 . 1 . . . A 580 ILE H . 18091 1 778 . 1 1 62 62 ILE HA H 1 4.03 0.02 . 1 . . . A 580 ILE HA . 18091 1 779 . 1 1 62 62 ILE HB H 1 1.67 0.02 . 1 . . . A 580 ILE HB . 18091 1 780 . 1 1 62 62 ILE HG12 H 1 0.59 0.02 . 1 . . . A 580 ILE HG12 . 18091 1 781 . 1 1 62 62 ILE HG13 H 1 1.56 0.02 . 1 . . . A 580 ILE HG13 . 18091 1 782 . 1 1 62 62 ILE HG21 H 1 0.75 0.02 . 1 . . . A 580 ILE HG21 . 18091 1 783 . 1 1 62 62 ILE HG22 H 1 0.75 0.02 . 1 . . . A 580 ILE HG22 . 18091 1 784 . 1 1 62 62 ILE HG23 H 1 0.75 0.02 . 1 . . . A 580 ILE HG23 . 18091 1 785 . 1 1 62 62 ILE HD11 H 1 0.55 0.02 . 1 . . . A 580 ILE HD11 . 18091 1 786 . 1 1 62 62 ILE HD12 H 1 0.55 0.02 . 1 . . . A 580 ILE HD12 . 18091 1 787 . 1 1 62 62 ILE HD13 H 1 0.55 0.02 . 1 . . . A 580 ILE HD13 . 18091 1 788 . 1 1 62 62 ILE C C 13 180.26 0.05 . 1 . . . A 580 ILE C . 18091 1 789 . 1 1 62 62 ILE CA C 13 64.73 0.05 . 1 . . . A 580 ILE CA . 18091 1 790 . 1 1 62 62 ILE CB C 13 38.31 0.05 . 1 . . . A 580 ILE CB . 18091 1 791 . 1 1 62 62 ILE CG1 C 13 29.22 0.05 . 1 . . . A 580 ILE CG1 . 18091 1 792 . 1 1 62 62 ILE CG2 C 13 16.71 0.05 . 1 . . . A 580 ILE CG2 . 18091 1 793 . 1 1 62 62 ILE CD1 C 13 14.03 0.05 . 1 . . . A 580 ILE CD1 . 18091 1 794 . 1 1 62 62 ILE N N 15 122.88 0.05 . 1 . . . A 580 ILE N . 18091 1 795 . 1 1 63 63 ALA H H 1 8.12 0.02 . 1 . . . A 581 ALA H . 18091 1 796 . 1 1 63 63 ALA HA H 1 3.97 0.02 . 1 . . . A 581 ALA HA . 18091 1 797 . 1 1 63 63 ALA HB1 H 1 1.38 0.02 . 1 . . . A 581 ALA HB1 . 18091 1 798 . 1 1 63 63 ALA HB2 H 1 1.38 0.02 . 1 . . . A 581 ALA HB2 . 18091 1 799 . 1 1 63 63 ALA HB3 H 1 1.38 0.02 . 1 . . . A 581 ALA HB3 . 18091 1 800 . 1 1 63 63 ALA C C 13 179.00 0.05 . 1 . . . A 581 ALA C . 18091 1 801 . 1 1 63 63 ALA CA C 13 54.84 0.05 . 1 . . . A 581 ALA CA . 18091 1 802 . 1 1 63 63 ALA CB C 13 17.50 0.05 . 1 . . . A 581 ALA CB . 18091 1 803 . 1 1 63 63 ALA N N 15 124.51 0.05 . 1 . . . A 581 ALA N . 18091 1 804 . 1 1 64 64 ALA H H 1 7.47 0.02 . 1 . . . A 582 ALA H . 18091 1 805 . 1 1 64 64 ALA HA H 1 4.14 0.02 . 1 . . . A 582 ALA HA . 18091 1 806 . 1 1 64 64 ALA HB1 H 1 1.29 0.02 . 1 . . . A 582 ALA HB1 . 18091 1 807 . 1 1 64 64 ALA HB2 H 1 1.29 0.02 . 1 . . . A 582 ALA HB2 . 18091 1 808 . 1 1 64 64 ALA HB3 H 1 1.29 0.02 . 1 . . . A 582 ALA HB3 . 18091 1 809 . 1 1 64 64 ALA C C 13 177.04 0.05 . 1 . . . A 582 ALA C . 18091 1 810 . 1 1 64 64 ALA CA C 13 52.18 0.05 . 1 . . . A 582 ALA CA . 18091 1 811 . 1 1 64 64 ALA CB C 13 19.86 0.05 . 1 . . . A 582 ALA CB . 18091 1 812 . 1 1 64 64 ALA N N 15 116.25 0.05 . 1 . . . A 582 ALA N . 18091 1 813 . 1 1 65 65 GLY H H 1 7.60 0.02 . 1 . . . A 583 GLY H . 18091 1 814 . 1 1 65 65 GLY HA2 H 1 3.64 0.02 . 1 . . . A 583 GLY HA2 . 18091 1 815 . 1 1 65 65 GLY HA3 H 1 3.97 0.02 . 1 . . . A 583 GLY HA3 . 18091 1 816 . 1 1 65 65 GLY C C 13 174.18 0.05 . 1 . . . A 583 GLY C . 18091 1 817 . 1 1 65 65 GLY CA C 13 44.79 0.05 . 1 . . . A 583 GLY CA . 18091 1 818 . 1 1 65 65 GLY N N 15 104.54 0.05 . 1 . . . A 583 GLY N . 18091 1 819 . 1 1 66 66 ILE H H 1 7.59 0.02 . 1 . . . A 584 ILE H . 18091 1 820 . 1 1 66 66 ILE HA H 1 3.76 0.02 . 1 . . . A 584 ILE HA . 18091 1 821 . 1 1 66 66 ILE HB H 1 1.72 0.02 . 1 . . . A 584 ILE HB . 18091 1 822 . 1 1 66 66 ILE HG12 H 1 1.03 0.02 . 1 . . . A 584 ILE HG12 . 18091 1 823 . 1 1 66 66 ILE HG13 H 1 1.20 0.02 . 1 . . . A 584 ILE HG13 . 18091 1 824 . 1 1 66 66 ILE HG21 H 1 0.82 0.02 . 1 . . . A 584 ILE HG21 . 18091 1 825 . 1 1 66 66 ILE HG22 H 1 0.82 0.02 . 1 . . . A 584 ILE HG22 . 18091 1 826 . 1 1 66 66 ILE HG23 H 1 0.82 0.02 . 1 . . . A 584 ILE HG23 . 18091 1 827 . 1 1 66 66 ILE HD11 H 1 0.49 0.02 . 1 . . . A 584 ILE HD11 . 18091 1 828 . 1 1 66 66 ILE HD12 H 1 0.49 0.02 . 1 . . . A 584 ILE HD12 . 18091 1 829 . 1 1 66 66 ILE HD13 H 1 0.49 0.02 . 1 . . . A 584 ILE HD13 . 18091 1 830 . 1 1 66 66 ILE C C 13 175.66 0.05 . 1 . . . A 584 ILE C . 18091 1 831 . 1 1 66 66 ILE CA C 13 61.55 0.05 . 1 . . . A 584 ILE CA . 18091 1 832 . 1 1 66 66 ILE CB C 13 37.61 0.05 . 1 . . . A 584 ILE CB . 18091 1 833 . 1 1 66 66 ILE CG1 C 13 27.77 0.05 . 1 . . . A 584 ILE CG1 . 18091 1 834 . 1 1 66 66 ILE CG2 C 13 16.95 0.05 . 1 . . . A 584 ILE CG2 . 18091 1 835 . 1 1 66 66 ILE CD1 C 13 11.47 0.05 . 1 . . . A 584 ILE CD1 . 18091 1 836 . 1 1 66 66 ILE N N 15 118.63 0.05 . 1 . . . A 584 ILE N . 18091 1 837 . 1 1 67 67 ILE H H 1 6.49 0.02 . 1 . . . A 585 ILE H . 18091 1 838 . 1 1 67 67 ILE HA H 1 4.17 0.02 . 1 . . . A 585 ILE HA . 18091 1 839 . 1 1 67 67 ILE HB H 1 1.26 0.02 . 1 . . . A 585 ILE HB . 18091 1 840 . 1 1 67 67 ILE HG12 H 1 0.80 0.02 . 1 . . . A 585 ILE HG12 . 18091 1 841 . 1 1 67 67 ILE HG13 H 1 1.12 0.02 . 1 . . . A 585 ILE HG13 . 18091 1 842 . 1 1 67 67 ILE HG21 H 1 0.59 0.02 . 1 . . . A 585 ILE HG21 . 18091 1 843 . 1 1 67 67 ILE HG22 H 1 0.59 0.02 . 1 . . . A 585 ILE HG22 . 18091 1 844 . 1 1 67 67 ILE HG23 H 1 0.59 0.02 . 1 . . . A 585 ILE HG23 . 18091 1 845 . 1 1 67 67 ILE HD11 H 1 0.64 0.02 . 1 . . . A 585 ILE HD11 . 18091 1 846 . 1 1 67 67 ILE HD12 H 1 0.64 0.02 . 1 . . . A 585 ILE HD12 . 18091 1 847 . 1 1 67 67 ILE HD13 H 1 0.64 0.02 . 1 . . . A 585 ILE HD13 . 18091 1 848 . 1 1 67 67 ILE C C 13 174.37 0.05 . 1 . . . A 585 ILE C . 18091 1 849 . 1 1 67 67 ILE CA C 13 59.48 0.05 . 1 . . . A 585 ILE CA . 18091 1 850 . 1 1 67 67 ILE CB C 13 39.63 0.05 . 1 . . . A 585 ILE CB . 18091 1 851 . 1 1 67 67 ILE CG1 C 13 27.46 0.05 . 1 . . . A 585 ILE CG1 . 18091 1 852 . 1 1 67 67 ILE CG2 C 13 17.19 0.05 . 1 . . . A 585 ILE CG2 . 18091 1 853 . 1 1 67 67 ILE CD1 C 13 13.86 0.05 . 1 . . . A 585 ILE CD1 . 18091 1 854 . 1 1 67 67 ILE N N 15 116.36 0.05 . 1 . . . A 585 ILE N . 18091 1 855 . 1 1 68 68 ARG H H 1 8.50 0.02 . 1 . . . A 586 ARG H . 18091 1 856 . 1 1 68 68 ARG HA H 1 4.38 0.02 . 1 . . . A 586 ARG HA . 18091 1 857 . 1 1 68 68 ARG HB2 H 1 1.74 0.02 . 1 . . . A 586 ARG HB2 . 18091 1 858 . 1 1 68 68 ARG HB3 H 1 1.56 0.02 . 1 . . . A 586 ARG HB3 . 18091 1 859 . 1 1 68 68 ARG HG2 H 1 1.42 0.02 . 1 . . . A 586 ARG HG2 . 18091 1 860 . 1 1 68 68 ARG HG3 H 1 1.42 0.02 . 1 . . . A 586 ARG HG3 . 18091 1 861 . 1 1 68 68 ARG HD2 H 1 3.06 0.02 . 1 . . . A 586 ARG HD2 . 18091 1 862 . 1 1 68 68 ARG HD3 H 1 3.06 0.02 . 1 . . . A 586 ARG HD3 . 18091 1 863 . 1 1 68 68 ARG C C 13 175.72 0.05 . 1 . . . A 586 ARG C . 18091 1 864 . 1 1 68 68 ARG CA C 13 54.92 0.05 . 1 . . . A 586 ARG CA . 18091 1 865 . 1 1 68 68 ARG CB C 13 31.32 0.05 . 1 . . . A 586 ARG CB . 18091 1 866 . 1 1 68 68 ARG CG C 13 26.85 0.05 . 1 . . . A 586 ARG CG . 18091 1 867 . 1 1 68 68 ARG CD C 13 43.19 0.05 . 1 . . . A 586 ARG CD . 18091 1 868 . 1 1 68 68 ARG N N 15 125.45 0.05 . 1 . . . A 586 ARG N . 18091 1 869 . 1 1 69 69 THR H H 1 8.25 0.02 . 1 . . . A 587 THR H . 18091 1 870 . 1 1 69 69 THR HA H 1 4.30 0.02 . 1 . . . A 587 THR HA . 18091 1 871 . 1 1 69 69 THR HB H 1 4.08 0.02 . 1 . . . A 587 THR HB . 18091 1 872 . 1 1 69 69 THR HG21 H 1 0.99 0.02 . 1 . . . A 587 THR HG21 . 18091 1 873 . 1 1 69 69 THR HG22 H 1 0.99 0.02 . 1 . . . A 587 THR HG22 . 18091 1 874 . 1 1 69 69 THR HG23 H 1 0.99 0.02 . 1 . . . A 587 THR HG23 . 18091 1 875 . 1 1 69 69 THR C C 13 174.76 0.05 . 1 . . . A 587 THR C . 18091 1 876 . 1 1 69 69 THR CA C 13 61.30 0.05 . 1 . . . A 587 THR CA . 18091 1 877 . 1 1 69 69 THR CB C 13 69.72 0.05 . 1 . . . A 587 THR CB . 18091 1 878 . 1 1 69 69 THR CG2 C 13 21.27 0.05 . 1 . . . A 587 THR CG2 . 18091 1 879 . 1 1 69 69 THR N N 15 113.71 0.05 . 1 . . . A 587 THR N . 18091 1 880 . 1 1 70 70 GLY H H 1 8.23 0.02 . 1 . . . A 588 GLY H . 18091 1 881 . 1 1 70 70 GLY HA2 H 1 3.85 0.02 . 1 . . . A 588 GLY HA2 . 18091 1 882 . 1 1 70 70 GLY HA3 H 1 3.85 0.02 . 1 . . . A 588 GLY HA3 . 18091 1 883 . 1 1 70 70 GLY C C 13 172.82 0.05 . 1 . . . A 588 GLY C . 18091 1 884 . 1 1 70 70 GLY CA C 13 45.16 0.05 . 1 . . . A 588 GLY CA . 18091 1 885 . 1 1 70 70 GLY N N 15 110.72 0.05 . 1 . . . A 588 GLY N . 18091 1 886 . 1 1 71 71 ARG H H 1 7.80 0.02 . 1 . . . A 589 ARG H . 18091 1 887 . 1 1 71 71 ARG HA H 1 4.04 0.02 . 1 . . . A 589 ARG HA . 18091 1 888 . 1 1 71 71 ARG HB2 H 1 1.63 0.02 . 1 . . . A 589 ARG HB2 . 18091 1 889 . 1 1 71 71 ARG HB3 H 1 1.69 0.02 . 1 . . . A 589 ARG HB3 . 18091 1 890 . 1 1 71 71 ARG HG2 H 1 1.44 0.02 . 1 . . . A 589 ARG HG2 . 18091 1 891 . 1 1 71 71 ARG HG3 H 1 1.44 0.02 . 1 . . . A 589 ARG HG3 . 18091 1 892 . 1 1 71 71 ARG HD2 H 1 3.05 0.02 . 1 . . . A 589 ARG HD2 . 18091 1 893 . 1 1 71 71 ARG HD3 H 1 3.05 0.02 . 1 . . . A 589 ARG HD3 . 18091 1 894 . 1 1 71 71 ARG C C 13 180.91 0.05 . 1 . . . A 589 ARG C . 18091 1 895 . 1 1 71 71 ARG CA C 13 57.21 0.05 . 1 . . . A 589 ARG CA . 18091 1 896 . 1 1 71 71 ARG CB C 13 31.23 0.05 . 1 . . . A 589 ARG CB . 18091 1 897 . 1 1 71 71 ARG CG C 13 26.96 0.05 . 1 . . . A 589 ARG CG . 18091 1 898 . 1 1 71 71 ARG CD C 13 43.28 0.05 . 1 . . . A 589 ARG CD . 18091 1 899 . 1 1 71 71 ARG N N 15 125.39 0.05 . 1 . . . A 589 ARG N . 18091 1 stop_ save_