data_30368 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30368 _Entry.Title ; Solution NMR structure of Brd3 ET domain bound to Brg1 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-28 _Entry.Accession_date 2017-10-28 _Entry.Last_release_date 2018-02-01 _Entry.Original_release_date 2018-02-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30368 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 T. Szyszka T. N. . . 30368 2 D. Wai D. C. . . 30368 3 J. Mackay J. P. . . 30368 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 30368 'Transcription Bromodomain BET protein' . 30368 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30368 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 30368 '15N chemical shifts' 79 30368 '1H chemical shifts' 669 30368 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 . . 2019-07-08 2017-10-28 update BMRB 'update entry citation' 30368 1 . . 2018-03-14 2017-10-28 original author 'original release' 30368 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BGH . 30368 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30368 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA117.000678 _Citation.PubMed_ID 29567837 _Citation.Full_citation . _Citation.Title ; The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7160 _Citation.Page_last 7175 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dorothy Wai . . . . 30368 1 2 Taylor Szyszka T. N. . . 30368 1 3 Amy Campbell A. E. . . 30368 1 4 Cherry Kwong C. . . . 30368 1 5 Lorna Wilkinson-White L. E. . . 30368 1 6 Ana Silva . . . . 30368 1 7 Jason Low . . . . 30368 1 8 Ann Kwan A. H. . . 30368 1 9 Roland Gamsjaeger R. . . . 30368 1 10 James Chalmers J. D. . . 30368 1 11 Wayne Patrick W. M. . . 30368 1 12 Bin Lu B. . . . 30368 1 13 Christopher Vakoc C. R. . . 30368 1 14 Gerd Blobel G. A. . . 30368 1 15 Joel Mackay J. P. . . 30368 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30368 _Assembly.ID 1 _Assembly.Name 'Bromodomain-containing protein 3, Brd3_ET' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30368 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30368 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30368 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; ASASYDSEEEEEGLPMSYDE KRQLSLDINRLPGEKLGRVV HIIQSREPSLRDSNPDEIEI DFETLKPTTLRELERYVKSC LQKKQRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10179.387 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING3-like protein' na 30368 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 1 557 ALA . 30368 1 2 558 SER . 30368 1 3 559 ALA . 30368 1 4 560 SER . 30368 1 5 561 TYR . 30368 1 6 562 ASP . 30368 1 7 563 SER . 30368 1 8 564 GLU . 30368 1 9 565 GLU . 30368 1 10 566 GLU . 30368 1 11 567 GLU . 30368 1 12 568 GLU . 30368 1 13 569 GLY . 30368 1 14 570 LEU . 30368 1 15 571 PRO . 30368 1 16 572 MET . 30368 1 17 573 SER . 30368 1 18 574 TYR . 30368 1 19 575 ASP . 30368 1 20 576 GLU . 30368 1 21 577 LYS . 30368 1 22 578 ARG . 30368 1 23 579 GLN . 30368 1 24 580 LEU . 30368 1 25 581 SER . 30368 1 26 582 LEU . 30368 1 27 583 ASP . 30368 1 28 584 ILE . 30368 1 29 585 ASN . 30368 1 30 586 ARG . 30368 1 31 587 LEU . 30368 1 32 588 PRO . 30368 1 33 589 GLY . 30368 1 34 590 GLU . 30368 1 35 591 LYS . 30368 1 36 592 LEU . 30368 1 37 593 GLY . 30368 1 38 594 ARG . 30368 1 39 595 VAL . 30368 1 40 596 VAL . 30368 1 41 597 HIS . 30368 1 42 598 ILE . 30368 1 43 599 ILE . 30368 1 44 600 GLN . 30368 1 45 601 SER . 30368 1 46 602 ARG . 30368 1 47 603 GLU . 30368 1 48 604 PRO . 30368 1 49 605 SER . 30368 1 50 606 LEU . 30368 1 51 607 ARG . 30368 1 52 608 ASP . 30368 1 53 609 SER . 30368 1 54 610 ASN . 30368 1 55 611 PRO . 30368 1 56 612 ASP . 30368 1 57 613 GLU . 30368 1 58 614 ILE . 30368 1 59 615 GLU . 30368 1 60 616 ILE . 30368 1 61 617 ASP . 30368 1 62 618 PHE . 30368 1 63 619 GLU . 30368 1 64 620 THR . 30368 1 65 621 LEU . 30368 1 66 622 LYS . 30368 1 67 623 PRO . 30368 1 68 624 THR . 30368 1 69 625 THR . 30368 1 70 626 LEU . 30368 1 71 627 ARG . 30368 1 72 628 GLU . 30368 1 73 629 LEU . 30368 1 74 630 GLU . 30368 1 75 631 ARG . 30368 1 76 632 TYR . 30368 1 77 633 VAL . 30368 1 78 634 LYS . 30368 1 79 635 SER . 30368 1 80 636 CYS . 30368 1 81 637 LEU . 30368 1 82 638 GLN . 30368 1 83 639 LYS . 30368 1 84 640 LYS . 30368 1 85 641 GLN . 30368 1 86 642 ARG . 30368 1 87 643 LYS . 30368 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 30368 1 . SER 2 2 30368 1 . ALA 3 3 30368 1 . SER 4 4 30368 1 . TYR 5 5 30368 1 . ASP 6 6 30368 1 . SER 7 7 30368 1 . GLU 8 8 30368 1 . GLU 9 9 30368 1 . GLU 10 10 30368 1 . GLU 11 11 30368 1 . GLU 12 12 30368 1 . GLY 13 13 30368 1 . LEU 14 14 30368 1 . PRO 15 15 30368 1 . MET 16 16 30368 1 . SER 17 17 30368 1 . TYR 18 18 30368 1 . ASP 19 19 30368 1 . GLU 20 20 30368 1 . LYS 21 21 30368 1 . ARG 22 22 30368 1 . GLN 23 23 30368 1 . LEU 24 24 30368 1 . SER 25 25 30368 1 . LEU 26 26 30368 1 . ASP 27 27 30368 1 . ILE 28 28 30368 1 . ASN 29 29 30368 1 . ARG 30 30 30368 1 . LEU 31 31 30368 1 . PRO 32 32 30368 1 . GLY 33 33 30368 1 . GLU 34 34 30368 1 . LYS 35 35 30368 1 . LEU 36 36 30368 1 . GLY 37 37 30368 1 . ARG 38 38 30368 1 . VAL 39 39 30368 1 . VAL 40 40 30368 1 . HIS 41 41 30368 1 . ILE 42 42 30368 1 . ILE 43 43 30368 1 . GLN 44 44 30368 1 . SER 45 45 30368 1 . ARG 46 46 30368 1 . GLU 47 47 30368 1 . PRO 48 48 30368 1 . SER 49 49 30368 1 . LEU 50 50 30368 1 . ARG 51 51 30368 1 . ASP 52 52 30368 1 . SER 53 53 30368 1 . ASN 54 54 30368 1 . PRO 55 55 30368 1 . ASP 56 56 30368 1 . GLU 57 57 30368 1 . ILE 58 58 30368 1 . GLU 59 59 30368 1 . ILE 60 60 30368 1 . ASP 61 61 30368 1 . PHE 62 62 30368 1 . GLU 63 63 30368 1 . THR 64 64 30368 1 . LEU 65 65 30368 1 . LYS 66 66 30368 1 . PRO 67 67 30368 1 . THR 68 68 30368 1 . THR 69 69 30368 1 . LEU 70 70 30368 1 . ARG 71 71 30368 1 . GLU 72 72 30368 1 . LEU 73 73 30368 1 . GLU 74 74 30368 1 . ARG 75 75 30368 1 . TYR 76 76 30368 1 . VAL 77 77 30368 1 . LYS 78 78 30368 1 . SER 79 79 30368 1 . CYS 80 80 30368 1 . LEU 81 81 30368 1 . GLN 82 82 30368 1 . LYS 83 83 30368 1 . LYS 84 84 30368 1 . GLN 85 85 30368 1 . ARG 86 86 30368 1 . LYS 87 87 30368 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30368 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RSVKVKIKLGRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1417.829 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1591 ARG . 30368 2 2 1592 SER . 30368 2 3 1593 VAL . 30368 2 4 1594 LYS . 30368 2 5 1595 VAL . 30368 2 6 1596 LYS . 30368 2 7 1597 ILE . 30368 2 8 1598 LYS . 30368 2 9 1599 LEU . 30368 2 10 1600 GLY . 30368 2 11 1601 ARG . 30368 2 12 1602 LYS . 30368 2 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 . ARG 1 1 30368 2 . SER 2 2 30368 2 . VAL 3 3 30368 2 . LYS 4 4 30368 2 . VAL 5 5 30368 2 . LYS 6 6 30368 2 . ILE 7 7 30368 2 . LYS 8 8 30368 2 . LEU 9 9 30368 2 . GLY 10 10 30368 2 . ARG 11 11 30368 2 . LYS 12 12 30368 2 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 30368 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'BRD3, KIAA0043, RING3L' . 30368 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30368 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 30368 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30368 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30368 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30368 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM Brd3_ET, 600 uM Brg1, 0.02 % Roche Complete Protease Inhibitor, 166 uM DSS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Brd3_ET 'natural abundance' . . 2 $entity_2 . . 300 . . uM . . . . 30368 1 2 Brg1 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 30368 1 3 'Roche Complete Protease Inhibitor' 'natural abundance' . . . . . . 0.02 . . % . . . . 30368 1 4 DSS 'natural abundance' . . . . . . 166 . . uM . . . . 30368 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30368 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30368 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-15N] Brd3_ET, 600 uM Brg1, 0.02 % Roche Complete Protease Inhibitor, 166 uM DSS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Brd3_ET [U-15N] . . 2 $entity_2 . . 300 . . uM . . . . 30368 2 2 Brg1 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 30368 2 3 'Roche Complete Protease Inhibitor' 'natural abundance' . . . . . . 0.02 . . % . . . . 30368 2 4 DSS 'natural abundance' . . . . . . 166 . . uM . . . . 30368 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30368 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30368 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-13C; U-15N] Brd3_ET, 600 uM Brg1, 0.02 % Roche Complete Protease Inhibitor, 166 uM DSS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Brd3_ET '[U-13C; U-15N]' . . 2 $entity_2 . . 300 . . uM . . . . 30368 3 2 Brg1 'natural abundance' . . 1 $entity_1 . . 600 . . uM . . . . 30368 3 3 'Roche Complete Protease Inhibitor' 'natural abundance' . . . . . . 0.02 . . % . . . . 30368 3 4 DSS 'natural abundance' . . . . . . 166 . . uM . . . . 30368 3 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30368 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 30368 _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' 50 . mM 30368 1 pH 7 . pH 30368 1 pressure 1 . atm 30368 1 temperature 298 . K 30368 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30368 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30368 2 pH 7 . pH 30368 2 pressure 1 . atm 30368 2 temperature 298 . K 30368 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30368 _Sample_condition_list.ID 3 _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' 50 . mM 30368 3 pH 7 . pH 30368 3 pressure 1 . atm 30368 3 temperature 298 . K 30368 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30368 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30368 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30368 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30368 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30368 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30368 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 30368 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 30368 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 30368 _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-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 4 '3D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 5 '2D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 6 '2D 13C/15N (F2/F1) Filtered, 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 8 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30368 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 11 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 13 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 14 '3D H(CC)(CO)HN' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 15 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 16 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 17 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30368 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30368 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25 . . . . . 30368 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 30368 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10 . . . . . 30368 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 30368 1 2 '3D 1H-13C NOESY' . . . 30368 1 3 '3D 1H-15N NOESY' . . . 30368 1 4 '3D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' . . . 30368 1 5 '2D 13C/15N (F2/F1) Filtered, 1H-1H NOESY' . . . 30368 1 6 '2D 13C/15N (F2/F1) Filtered, 1H-1H TOCSY' . . . 30368 1 7 '3D HCCH-TOCSY' . . . 30368 1 8 '3D HCCH-COSY' . . . 30368 1 9 '2D 1H-1H TOCSY' . . . 30368 1 10 '2D 1H-1H NOESY' . . . 30368 1 11 '3D HNCO' . . . 30368 1 12 '2D 1H-15N HSQC' . . . 30368 1 13 '3D HN(CA)CO' . . . 30368 1 14 '3D H(CC)(CO)HN' . . . 30368 1 15 '3D HNCA' . . . 30368 1 16 '3D CBCA(CO)NH' . . . 30368 1 17 '3D HNCACB' . . . 30368 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.338 0.00 . 1 . . . . A 557 ALA HA . 30368 1 2 . 1 1 1 1 ALA HB1 H 1 1.373 0.00 . 1 . . . . A 557 ALA HB1 . 30368 1 3 . 1 1 1 1 ALA HB2 H 1 1.373 0.00 . 1 . . . . A 557 ALA HB2 . 30368 1 4 . 1 1 1 1 ALA HB3 H 1 1.373 0.00 . 1 . . . . A 557 ALA HB3 . 30368 1 5 . 1 1 1 1 ALA C C 13 177.065 0.00 . 1 . . . . A 557 ALA C . 30368 1 6 . 1 1 1 1 ALA CA C 13 52.947 0.02 . 1 . . . . A 557 ALA CA . 30368 1 7 . 1 1 1 1 ALA CB C 13 19.517 0.04 . 1 . . . . A 557 ALA CB . 30368 1 8 . 1 1 2 2 SER H H 1 8.166 0.01 . 1 . . . . A 558 SER H . 30368 1 9 . 1 1 2 2 SER HA H 1 4.305 0.01 . 1 . . . . A 558 SER HA . 30368 1 10 . 1 1 2 2 SER HB2 H 1 3.952 0.01 . 2 . . . . A 558 SER HB2 . 30368 1 11 . 1 1 2 2 SER HB3 H 1 3.894 0.01 . 2 . . . . A 558 SER HB3 . 30368 1 12 . 1 1 2 2 SER C C 13 181.499 0.00 . 1 . . . . A 558 SER C . 30368 1 13 . 1 1 2 2 SER CA C 13 58.911 0.36 . 1 . . . . A 558 SER CA . 30368 1 14 . 1 1 2 2 SER CB C 13 64.308 0.09 . 1 . . . . A 558 SER CB . 30368 1 15 . 1 1 2 2 SER N N 15 114.694 0.17 . 1 . . . . A 558 SER N . 30368 1 16 . 1 1 3 3 ALA H H 1 8.226 0.01 . 1 . . . . A 559 ALA H . 30368 1 17 . 1 1 3 3 ALA HA H 1 4.287 0.01 . 1 . . . . A 559 ALA HA . 30368 1 18 . 1 1 3 3 ALA HB1 H 1 1.300 0.01 . 1 . . . . A 559 ALA HB1 . 30368 1 19 . 1 1 3 3 ALA HB2 H 1 1.300 0.01 . 1 . . . . A 559 ALA HB2 . 30368 1 20 . 1 1 3 3 ALA HB3 H 1 1.300 0.01 . 1 . . . . A 559 ALA HB3 . 30368 1 21 . 1 1 3 3 ALA C C 13 176.698 0.00 . 1 . . . . A 559 ALA C . 30368 1 22 . 1 1 3 3 ALA CA C 13 52.832 0.06 . 1 . . . . A 559 ALA CA . 30368 1 23 . 1 1 3 3 ALA CB C 13 19.582 0.04 . 1 . . . . A 559 ALA CB . 30368 1 24 . 1 1 3 3 ALA N N 15 125.874 0.06 . 1 . . . . A 559 ALA N . 30368 1 25 . 1 1 4 4 SER H H 1 8.148 0.00 . 1 . . . . A 560 SER H . 30368 1 26 . 1 1 4 4 SER HA H 1 4.370 0.01 . 1 . . . . A 560 SER HA . 30368 1 27 . 1 1 4 4 SER HB2 H 1 3.741 0.01 . 2 . . . . A 560 SER HB2 . 30368 1 28 . 1 1 4 4 SER HB3 H 1 3.741 0.01 . 2 . . . . A 560 SER HB3 . 30368 1 29 . 1 1 4 4 SER C C 13 181.361 0.00 . 1 . . . . A 560 SER C . 30368 1 30 . 1 1 4 4 SER CA C 13 58.368 0.11 . 1 . . . . A 560 SER CA . 30368 1 31 . 1 1 4 4 SER CB C 13 63.901 0.15 . 1 . . . . A 560 SER CB . 30368 1 32 . 1 1 4 4 SER N N 15 114.727 0.09 . 1 . . . . A 560 SER N . 30368 1 33 . 1 1 5 5 TYR H H 1 8.100 0.01 . 1 . . . . A 561 TYR H . 30368 1 34 . 1 1 5 5 TYR HA H 1 4.569 0.00 . 1 . . . . A 561 TYR HA . 30368 1 35 . 1 1 5 5 TYR HB2 H 1 3.045 0.01 . 2 . . . . A 561 TYR HB2 . 30368 1 36 . 1 1 5 5 TYR HB3 H 1 2.898 0.01 . 2 . . . . A 561 TYR HB3 . 30368 1 37 . 1 1 5 5 TYR HD1 H 1 7.070 0.00 . 3 . . . . A 561 TYR HD1 . 30368 1 38 . 1 1 5 5 TYR HD2 H 1 7.070 0.00 . 3 . . . . A 561 TYR HD2 . 30368 1 39 . 1 1 5 5 TYR HE1 H 1 6.791 0.01 . 3 . . . . A 561 TYR HE1 . 30368 1 40 . 1 1 5 5 TYR HE2 H 1 6.791 0.01 . 3 . . . . A 561 TYR HE2 . 30368 1 41 . 1 1 5 5 TYR C C 13 174.631 0.00 . 1 . . . . A 561 TYR C . 30368 1 42 . 1 1 5 5 TYR CA C 13 57.852 0.16 . 1 . . . . A 561 TYR CA . 30368 1 43 . 1 1 5 5 TYR CB C 13 38.937 0.10 . 1 . . . . A 561 TYR CB . 30368 1 44 . 1 1 5 5 TYR N N 15 121.804 0.09 . 1 . . . . A 561 TYR N . 30368 1 45 . 1 1 6 6 ASP H H 1 8.260 0.01 . 1 . . . . A 562 ASP H . 30368 1 46 . 1 1 6 6 ASP HA H 1 4.588 0.00 . 1 . . . . A 562 ASP HA . 30368 1 47 . 1 1 6 6 ASP HB2 H 1 2.652 0.00 . 2 . . . . A 562 ASP HB2 . 30368 1 48 . 1 1 6 6 ASP HB3 H 1 2.652 0.00 . 2 . . . . A 562 ASP HB3 . 30368 1 49 . 1 1 6 6 ASP C C 13 175.252 0.01 . 1 . . . . A 562 ASP C . 30368 1 50 . 1 1 6 6 ASP CA C 13 54.556 0.01 . 1 . . . . A 562 ASP CA . 30368 1 51 . 1 1 6 6 ASP CB C 13 41.625 0.09 . 1 . . . . A 562 ASP CB . 30368 1 52 . 1 1 6 6 ASP N N 15 122.074 0.09 . 1 . . . . A 562 ASP N . 30368 1 53 . 1 1 7 7 SER H H 1 8.121 0.01 . 1 . . . . A 563 SER H . 30368 1 54 . 1 1 7 7 SER HA H 1 4.383 0.01 . 1 . . . . A 563 SER HA . 30368 1 55 . 1 1 7 7 SER HB2 H 1 3.859 0.01 . 1 . . . . A 563 SER HB2 . 30368 1 56 . 1 1 7 7 SER HB3 H 1 3.799 0.01 . 1 . . . . A 563 SER HB3 . 30368 1 57 . 1 1 7 7 SER C C 13 173.926 0.00 . 1 . . . . A 563 SER C . 30368 1 58 . 1 1 7 7 SER CA C 13 58.589 0.26 . 1 . . . . A 563 SER CA . 30368 1 59 . 1 1 7 7 SER CB C 13 64.013 0.14 . 1 . . . . A 563 SER CB . 30368 1 60 . 1 1 7 7 SER N N 15 115.933 0.05 . 1 . . . . A 563 SER N . 30368 1 61 . 1 1 8 8 GLU H H 1 8.470 0.00 . 1 . . . . A 564 GLU H . 30368 1 62 . 1 1 8 8 GLU HA H 1 4.257 0.01 . 1 . . . . A 564 GLU HA . 30368 1 63 . 1 1 8 8 GLU HB2 H 1 2.039 0.01 . 1 . . . . A 564 GLU HB2 . 30368 1 64 . 1 1 8 8 GLU HB3 H 1 1.898 0.02 . 1 . . . . A 564 GLU HB3 . 30368 1 65 . 1 1 8 8 GLU HG2 H 1 2.251 0.01 . 1 . . . . A 564 GLU HG2 . 30368 1 66 . 1 1 8 8 GLU HG3 H 1 2.168 0.02 . 1 . . . . A 564 GLU HG3 . 30368 1 67 . 1 1 8 8 GLU C C 13 175.825 0.06 . 1 . . . . A 564 GLU C . 30368 1 68 . 1 1 8 8 GLU CA C 13 57.156 0.11 . 1 . . . . A 564 GLU CA . 30368 1 69 . 1 1 8 8 GLU CB C 13 30.272 0.21 . 1 . . . . A 564 GLU CB . 30368 1 70 . 1 1 8 8 GLU CG C 13 37.016 0.00 . 1 . . . . A 564 GLU CG . 30368 1 71 . 1 1 8 8 GLU N N 15 122.644 0.08 . 1 . . . . A 564 GLU N . 30368 1 72 . 1 1 9 9 GLU H H 1 8.341 0.01 . 1 . . . . A 565 GLU H . 30368 1 73 . 1 1 9 9 GLU HA H 1 3.942 0.00 . 1 . . . . A 565 GLU HA . 30368 1 74 . 1 1 9 9 GLU HB2 H 1 2.043 0.00 . 1 . . . . A 565 GLU HB2 . 30368 1 75 . 1 1 9 9 GLU HB3 H 1 1.895 0.02 . 1 . . . . A 565 GLU HB3 . 30368 1 76 . 1 1 9 9 GLU HG2 H 1 2.550 0.00 . 1 . . . . A 565 GLU HG2 . 30368 1 77 . 1 1 9 9 GLU HG3 H 1 2.223 0.00 . 1 . . . . A 565 GLU HG3 . 30368 1 78 . 1 1 9 9 GLU C C 13 175.744 0.00 . 1 . . . . A 565 GLU C . 30368 1 79 . 1 1 9 9 GLU CA C 13 56.868 0.02 . 1 . . . . A 565 GLU CA . 30368 1 80 . 1 1 9 9 GLU CB C 13 30.490 0.08 . 1 . . . . A 565 GLU CB . 30368 1 81 . 1 1 9 9 GLU N N 15 122.161 0.13 . 1 . . . . A 565 GLU N . 30368 1 82 . 1 1 10 10 GLU HA H 1 4.213 0.01 . 1 . . . . A 566 GLU HA . 30368 1 83 . 1 1 10 10 GLU HB2 H 1 1.992 0.01 . 1 . . . . A 566 GLU HB2 . 30368 1 84 . 1 1 10 10 GLU HB3 H 1 1.909 0.02 . 1 . . . . A 566 GLU HB3 . 30368 1 85 . 1 1 10 10 GLU HG2 H 1 2.232 0.01 . 1 . . . . A 566 GLU HG2 . 30368 1 86 . 1 1 10 10 GLU HG3 H 1 2.198 0.01 . 1 . . . . A 566 GLU HG3 . 30368 1 87 . 1 1 10 10 GLU CA C 13 56.990 0.04 . 1 . . . . A 566 GLU CA . 30368 1 88 . 1 1 10 10 GLU CB C 13 30.476 0.03 . 1 . . . . A 566 GLU CB . 30368 1 89 . 1 1 10 10 GLU CG C 13 36.440 0.08 . 1 . . . . A 566 GLU CG . 30368 1 90 . 1 1 11 11 GLU H H 1 8.287 0.00 . 1 . . . . A 567 GLU H . 30368 1 91 . 1 1 11 11 GLU HA H 1 4.176 0.01 . 1 . . . . A 567 GLU HA . 30368 1 92 . 1 1 11 11 GLU HB2 H 1 1.982 0.01 . 1 . . . . A 567 GLU HB2 . 30368 1 93 . 1 1 11 11 GLU HB3 H 1 1.886 0.01 . 1 . . . . A 567 GLU HB3 . 30368 1 94 . 1 1 11 11 GLU HG2 H 1 2.247 0.01 . 1 . . . . A 567 GLU HG2 . 30368 1 95 . 1 1 11 11 GLU HG3 H 1 2.178 0.01 . 1 . . . . A 567 GLU HG3 . 30368 1 96 . 1 1 11 11 GLU C C 13 175.729 0.00 . 1 . . . . A 567 GLU C . 30368 1 97 . 1 1 11 11 GLU CA C 13 56.881 0.04 . 1 . . . . A 567 GLU CA . 30368 1 98 . 1 1 11 11 GLU CB C 13 30.888 0.07 . 1 . . . . A 567 GLU CB . 30368 1 99 . 1 1 11 11 GLU CG C 13 36.275 0.00 . 1 . . . . A 567 GLU CG . 30368 1 100 . 1 1 11 11 GLU N N 15 121.122 0.07 . 1 . . . . A 567 GLU N . 30368 1 101 . 1 1 12 12 GLU H H 1 8.444 0.01 . 1 . . . . A 568 GLU H . 30368 1 102 . 1 1 12 12 GLU HA H 1 4.176 0.01 . 1 . . . . A 568 GLU HA . 30368 1 103 . 1 1 12 12 GLU HB2 H 1 1.983 0.01 . 1 . . . . A 568 GLU HB2 . 30368 1 104 . 1 1 12 12 GLU HB3 H 1 1.922 0.01 . 1 . . . . A 568 GLU HB3 . 30368 1 105 . 1 1 12 12 GLU HG2 H 1 2.223 0.01 . 1 . . . . A 568 GLU HG2 . 30368 1 106 . 1 1 12 12 GLU HG3 H 1 2.171 0.01 . 1 . . . . A 568 GLU HG3 . 30368 1 107 . 1 1 12 12 GLU C C 13 176.037 0.01 . 1 . . . . A 568 GLU C . 30368 1 108 . 1 1 12 12 GLU CA C 13 57.272 0.03 . 1 . . . . A 568 GLU CA . 30368 1 109 . 1 1 12 12 GLU CB C 13 30.623 0.11 . 1 . . . . A 568 GLU CB . 30368 1 110 . 1 1 12 12 GLU CG C 13 36.827 0.02 . 1 . . . . A 568 GLU CG . 30368 1 111 . 1 1 12 12 GLU N N 15 122.443 0.09 . 1 . . . . A 568 GLU N . 30368 1 112 . 1 1 13 13 GLY H H 1 8.380 0.01 . 1 . . . . A 569 GLY H . 30368 1 113 . 1 1 13 13 GLY HA2 H 1 3.971 0.01 . 1 . . . . A 569 GLY HA2 . 30368 1 114 . 1 1 13 13 GLY HA3 H 1 3.533 0.01 . 1 . . . . A 569 GLY HA3 . 30368 1 115 . 1 1 13 13 GLY C C 13 172.429 0.00 . 1 . . . . A 569 GLY C . 30368 1 116 . 1 1 13 13 GLY CA C 13 45.364 0.14 . 1 . . . . A 569 GLY CA . 30368 1 117 . 1 1 13 13 GLY N N 15 109.144 0.10 . 1 . . . . A 569 GLY N . 30368 1 118 . 1 1 14 14 LEU H H 1 8.183 0.01 . 1 . . . . A 570 LEU H . 30368 1 119 . 1 1 14 14 LEU HA H 1 4.542 0.01 . 1 . . . . A 570 LEU HA . 30368 1 120 . 1 1 14 14 LEU HB2 H 1 1.562 0.01 . 1 . . . . A 570 LEU HB2 . 30368 1 121 . 1 1 14 14 LEU HB3 H 1 1.525 0.02 . 1 . . . . A 570 LEU HB3 . 30368 1 122 . 1 1 14 14 LEU HG H 1 1.641 0.01 . 1 . . . . A 570 LEU HG . 30368 1 123 . 1 1 14 14 LEU HD11 H 1 0.909 0.00 . 1 . . . . A 570 LEU HD11 . 30368 1 124 . 1 1 14 14 LEU HD12 H 1 0.909 0.00 . 1 . . . . A 570 LEU HD12 . 30368 1 125 . 1 1 14 14 LEU HD13 H 1 0.909 0.00 . 1 . . . . A 570 LEU HD13 . 30368 1 126 . 1 1 14 14 LEU HD21 H 1 0.875 0.01 . 1 . . . . A 570 LEU HD21 . 30368 1 127 . 1 1 14 14 LEU HD22 H 1 0.875 0.01 . 1 . . . . A 570 LEU HD22 . 30368 1 128 . 1 1 14 14 LEU HD23 H 1 0.875 0.01 . 1 . . . . A 570 LEU HD23 . 30368 1 129 . 1 1 14 14 LEU C C 13 175.069 0.00 . 1 . . . . A 570 LEU C . 30368 1 130 . 1 1 14 14 LEU CA C 13 53.668 0.00 . 1 . . . . A 570 LEU CA . 30368 1 131 . 1 1 14 14 LEU CB C 13 41.880 0.00 . 1 . . . . A 570 LEU CB . 30368 1 132 . 1 1 14 14 LEU CG C 13 26.927 0.02 . 1 . . . . A 570 LEU CG . 30368 1 133 . 1 1 14 14 LEU CD1 C 13 24.756 0.00 . 1 . . . . A 570 LEU CD1 . 30368 1 134 . 1 1 14 14 LEU CD2 C 13 23.936 0.00 . 1 . . . . A 570 LEU CD2 . 30368 1 135 . 1 1 14 14 LEU N N 15 123.426 0.09 . 1 . . . . A 570 LEU N . 30368 1 136 . 1 1 15 15 PRO HA H 1 4.296 0.01 . 1 . . . . A 571 PRO HA . 30368 1 137 . 1 1 15 15 PRO HB2 H 1 2.321 0.01 . 1 . . . . A 571 PRO HB2 . 30368 1 138 . 1 1 15 15 PRO HB3 H 1 1.786 0.01 . 1 . . . . A 571 PRO HB3 . 30368 1 139 . 1 1 15 15 PRO HG2 H 1 2.040 0.01 . 1 . . . . A 571 PRO HG2 . 30368 1 140 . 1 1 15 15 PRO HG3 H 1 1.944 0.01 . 1 . . . . A 571 PRO HG3 . 30368 1 141 . 1 1 15 15 PRO HD2 H 1 3.994 0.01 . 1 . . . . A 571 PRO HD2 . 30368 1 142 . 1 1 15 15 PRO HD3 H 1 3.609 0.01 . 1 . . . . A 571 PRO HD3 . 30368 1 143 . 1 1 15 15 PRO CA C 13 63.427 0.09 . 1 . . . . A 571 PRO CA . 30368 1 144 . 1 1 15 15 PRO CB C 13 32.489 0.06 . 1 . . . . A 571 PRO CB . 30368 1 145 . 1 1 15 15 PRO CG C 13 27.673 0.03 . 1 . . . . A 571 PRO CG . 30368 1 146 . 1 1 15 15 PRO CD C 13 50.906 0.01 . 1 . . . . A 571 PRO CD . 30368 1 147 . 1 1 16 16 MET H H 1 8.608 0.01 . 1 . . . . A 572 MET H . 30368 1 148 . 1 1 16 16 MET HA H 1 4.568 0.01 . 1 . . . . A 572 MET HA . 30368 1 149 . 1 1 16 16 MET HB2 H 1 2.056 0.01 . 1 . . . . A 572 MET HB2 . 30368 1 150 . 1 1 16 16 MET HB3 H 1 1.684 0.01 . 1 . . . . A 572 MET HB3 . 30368 1 151 . 1 1 16 16 MET HG2 H 1 2.562 0.01 . 1 . . . . A 572 MET HG2 . 30368 1 152 . 1 1 16 16 MET HG3 H 1 2.270 0.01 . 1 . . . . A 572 MET HG3 . 30368 1 153 . 1 1 16 16 MET C C 13 176.070 0.00 . 1 . . . . A 572 MET C . 30368 1 154 . 1 1 16 16 MET CA C 13 56.173 0.02 . 1 . . . . A 572 MET CA . 30368 1 155 . 1 1 16 16 MET CB C 13 35.978 0.09 . 1 . . . . A 572 MET CB . 30368 1 156 . 1 1 16 16 MET CG C 13 34.110 0.03 . 1 . . . . A 572 MET CG . 30368 1 157 . 1 1 16 16 MET N N 15 122.425 0.12 . 1 . . . . A 572 MET N . 30368 1 158 . 1 1 17 17 SER H H 1 9.191 0.00 . 1 . . . . A 573 SER H . 30368 1 159 . 1 1 17 17 SER HA H 1 4.511 0.01 . 1 . . . . A 573 SER HA . 30368 1 160 . 1 1 17 17 SER HB2 H 1 4.052 0.00 . 2 . . . . A 573 SER HB2 . 30368 1 161 . 1 1 17 17 SER HB3 H 1 4.052 0.00 . 2 . . . . A 573 SER HB3 . 30368 1 162 . 1 1 17 17 SER C C 13 174.408 0.01 . 1 . . . . A 573 SER C . 30368 1 163 . 1 1 17 17 SER CA C 13 57.293 0.14 . 1 . . . . A 573 SER CA . 30368 1 164 . 1 1 17 17 SER CB C 13 66.023 0.05 . 1 . . . . A 573 SER CB . 30368 1 165 . 1 1 17 17 SER N N 15 120.009 0.08 . 1 . . . . A 573 SER N . 30368 1 166 . 1 1 18 18 TYR H H 1 9.072 0.00 . 1 . . . . A 574 TYR H . 30368 1 167 . 1 1 18 18 TYR HA H 1 4.095 0.01 . 1 . . . . A 574 TYR HA . 30368 1 168 . 1 1 18 18 TYR HB2 H 1 3.286 0.01 . 1 . . . . A 574 TYR HB2 . 30368 1 169 . 1 1 18 18 TYR HB3 H 1 2.909 0.01 . 1 . . . . A 574 TYR HB3 . 30368 1 170 . 1 1 18 18 TYR HD1 H 1 7.146 0.00 . 3 . . . . A 574 TYR HD1 . 30368 1 171 . 1 1 18 18 TYR HD2 H 1 7.146 0.00 . 3 . . . . A 574 TYR HD2 . 30368 1 172 . 1 1 18 18 TYR HE1 H 1 6.727 0.00 . 3 . . . . A 574 TYR HE1 . 30368 1 173 . 1 1 18 18 TYR HE2 H 1 6.727 0.00 . 3 . . . . A 574 TYR HE2 . 30368 1 174 . 1 1 18 18 TYR C C 13 176.777 0.03 . 1 . . . . A 574 TYR C . 30368 1 175 . 1 1 18 18 TYR CA C 13 62.807 0.12 . 1 . . . . A 574 TYR CA . 30368 1 176 . 1 1 18 18 TYR CB C 13 38.162 0.04 . 1 . . . . A 574 TYR CB . 30368 1 177 . 1 1 18 18 TYR N N 15 122.033 0.09 . 1 . . . . A 574 TYR N . 30368 1 178 . 1 1 19 19 ASP H H 1 8.466 0.00 . 1 . . . . A 575 ASP H . 30368 1 179 . 1 1 19 19 ASP HA H 1 4.149 0.01 . 1 . . . . A 575 ASP HA . 30368 1 180 . 1 1 19 19 ASP HB2 H 1 2.597 0.01 . 1 . . . . A 575 ASP HB2 . 30368 1 181 . 1 1 19 19 ASP HB3 H 1 2.518 0.02 . 1 . . . . A 575 ASP HB3 . 30368 1 182 . 1 1 19 19 ASP C C 13 178.560 0.01 . 1 . . . . A 575 ASP C . 30368 1 183 . 1 1 19 19 ASP CA C 13 57.918 0.11 . 1 . . . . A 575 ASP CA . 30368 1 184 . 1 1 19 19 ASP CB C 13 41.061 0.10 . 1 . . . . A 575 ASP CB . 30368 1 185 . 1 1 19 19 ASP N N 15 117.652 0.08 . 1 . . . . A 575 ASP N . 30368 1 186 . 1 1 20 20 GLU H H 1 7.805 0.00 . 1 . . . . A 576 GLU H . 30368 1 187 . 1 1 20 20 GLU HA H 1 3.952 0.00 . 1 . . . . A 576 GLU HA . 30368 1 188 . 1 1 20 20 GLU HB2 H 1 2.316 0.03 . 1 . . . . A 576 GLU HB2 . 30368 1 189 . 1 1 20 20 GLU HB3 H 1 1.908 0.03 . 1 . . . . A 576 GLU HB3 . 30368 1 190 . 1 1 20 20 GLU HG2 H 1 2.370 0.07 . 1 . . . . A 576 GLU HG2 . 30368 1 191 . 1 1 20 20 GLU HG3 H 1 2.182 0.01 . 1 . . . . A 576 GLU HG3 . 30368 1 192 . 1 1 20 20 GLU C C 13 178.875 0.00 . 1 . . . . A 576 GLU C . 30368 1 193 . 1 1 20 20 GLU CA C 13 59.738 0.18 . 1 . . . . A 576 GLU CA . 30368 1 194 . 1 1 20 20 GLU CB C 13 30.319 0.26 . 1 . . . . A 576 GLU CB . 30368 1 195 . 1 1 20 20 GLU CG C 13 38.246 0.04 . 1 . . . . A 576 GLU CG . 30368 1 196 . 1 1 20 20 GLU N N 15 120.580 0.08 . 1 . . . . A 576 GLU N . 30368 1 197 . 1 1 21 21 LYS H H 1 8.206 0.01 . 1 . . . . A 577 LYS H . 30368 1 198 . 1 1 21 21 LYS HA H 1 3.809 0.01 . 1 . . . . A 577 LYS HA . 30368 1 199 . 1 1 21 21 LYS HB2 H 1 1.979 0.01 . 1 . . . . A 577 LYS HB2 . 30368 1 200 . 1 1 21 21 LYS HB3 H 1 1.680 0.02 . 1 . . . . A 577 LYS HB3 . 30368 1 201 . 1 1 21 21 LYS HD2 H 1 1.246 0.00 . 1 . . . . A 577 LYS HD2 . 30368 1 202 . 1 1 21 21 LYS HD3 H 1 1.142 0.01 . 1 . . . . A 577 LYS HD3 . 30368 1 203 . 1 1 21 21 LYS HE2 H 1 3.043 0.01 . 1 . . . . A 577 LYS HE2 . 30368 1 204 . 1 1 21 21 LYS HE3 H 1 2.933 0.01 . 1 . . . . A 577 LYS HE3 . 30368 1 205 . 1 1 21 21 LYS C C 13 177.367 0.00 . 1 . . . . A 577 LYS C . 30368 1 206 . 1 1 21 21 LYS CA C 13 60.643 0.05 . 1 . . . . A 577 LYS CA . 30368 1 207 . 1 1 21 21 LYS CB C 13 33.369 0.05 . 1 . . . . A 577 LYS CB . 30368 1 208 . 1 1 21 21 LYS CD C 13 26.317 0.04 . 1 . . . . A 577 LYS CD . 30368 1 209 . 1 1 21 21 LYS CE C 13 41.969 0.00 . 1 . . . . A 577 LYS CE . 30368 1 210 . 1 1 21 21 LYS N N 15 121.330 0.10 . 1 . . . . A 577 LYS N . 30368 1 211 . 1 1 22 22 ARG H H 1 8.473 0.01 . 1 . . . . A 578 ARG H . 30368 1 212 . 1 1 22 22 ARG HA H 1 3.671 0.01 . 1 . . . . A 578 ARG HA . 30368 1 213 . 1 1 22 22 ARG HB2 H 1 1.707 0.01 . 1 . . . . A 578 ARG HB2 . 30368 1 214 . 1 1 22 22 ARG HB3 H 1 1.374 0.01 . 1 . . . . A 578 ARG HB3 . 30368 1 215 . 1 1 22 22 ARG HG2 H 1 1.410 0.01 . 1 . . . . A 578 ARG HG2 . 30368 1 216 . 1 1 22 22 ARG HG3 H 1 1.310 0.01 . 1 . . . . A 578 ARG HG3 . 30368 1 217 . 1 1 22 22 ARG HD2 H 1 3.157 0.01 . 1 . . . . A 578 ARG HD2 . 30368 1 218 . 1 1 22 22 ARG HD3 H 1 3.032 0.01 . 1 . . . . A 578 ARG HD3 . 30368 1 219 . 1 1 22 22 ARG C C 13 178.649 0.02 . 1 . . . . A 578 ARG C . 30368 1 220 . 1 1 22 22 ARG CA C 13 59.460 0.09 . 1 . . . . A 578 ARG CA . 30368 1 221 . 1 1 22 22 ARG CB C 13 29.199 0.16 . 1 . . . . A 578 ARG CB . 30368 1 222 . 1 1 22 22 ARG CG C 13 26.901 0.06 . 1 . . . . A 578 ARG CG . 30368 1 223 . 1 1 22 22 ARG CD C 13 43.226 0.01 . 1 . . . . A 578 ARG CD . 30368 1 224 . 1 1 22 22 ARG N N 15 119.807 0.12 . 1 . . . . A 578 ARG N . 30368 1 225 . 1 1 23 23 GLN H H 1 8.138 0.01 . 1 . . . . A 579 GLN H . 30368 1 226 . 1 1 23 23 GLN HA H 1 3.769 0.01 . 1 . . . . A 579 GLN HA . 30368 1 227 . 1 1 23 23 GLN HB2 H 1 2.115 0.02 . 1 . . . . A 579 GLN HB2 . 30368 1 228 . 1 1 23 23 GLN HB3 H 1 2.020 0.01 . 1 . . . . A 579 GLN HB3 . 30368 1 229 . 1 1 23 23 GLN HG2 H 1 2.354 0.01 . 2 . . . . A 579 GLN HG2 . 30368 1 230 . 1 1 23 23 GLN HG3 H 1 2.354 0.01 . 2 . . . . A 579 GLN HG3 . 30368 1 231 . 1 1 23 23 GLN C C 13 176.229 0.01 . 1 . . . . A 579 GLN C . 30368 1 232 . 1 1 23 23 GLN CA C 13 58.880 0.13 . 1 . . . . A 579 GLN CA . 30368 1 233 . 1 1 23 23 GLN CB C 13 28.597 0.08 . 1 . . . . A 579 GLN CB . 30368 1 234 . 1 1 23 23 GLN CG C 13 33.339 0.00 . 1 . . . . A 579 GLN CG . 30368 1 235 . 1 1 23 23 GLN N N 15 119.985 0.10 . 1 . . . . A 579 GLN N . 30368 1 236 . 1 1 24 24 LEU H H 1 7.914 0.01 . 1 . . . . A 580 LEU H . 30368 1 237 . 1 1 24 24 LEU HA H 1 4.376 0.01 . 1 . . . . A 580 LEU HA . 30368 1 238 . 1 1 24 24 LEU HB2 H 1 2.016 0.01 . 1 . . . . A 580 LEU HB2 . 30368 1 239 . 1 1 24 24 LEU HB3 H 1 1.530 0.01 . 1 . . . . A 580 LEU HB3 . 30368 1 240 . 1 1 24 24 LEU HG H 1 1.308 0.00 . 1 . . . . A 580 LEU HG . 30368 1 241 . 1 1 24 24 LEU HD11 H 1 0.943 0.01 . 1 . . . . A 580 LEU HD11 . 30368 1 242 . 1 1 24 24 LEU HD12 H 1 0.943 0.01 . 1 . . . . A 580 LEU HD12 . 30368 1 243 . 1 1 24 24 LEU HD13 H 1 0.943 0.01 . 1 . . . . A 580 LEU HD13 . 30368 1 244 . 1 1 24 24 LEU HD21 H 1 0.672 0.00 . 1 . . . . A 580 LEU HD21 . 30368 1 245 . 1 1 24 24 LEU HD22 H 1 0.672 0.00 . 1 . . . . A 580 LEU HD22 . 30368 1 246 . 1 1 24 24 LEU HD23 H 1 0.672 0.00 . 1 . . . . A 580 LEU HD23 . 30368 1 247 . 1 1 24 24 LEU C C 13 177.626 0.00 . 1 . . . . A 580 LEU C . 30368 1 248 . 1 1 24 24 LEU CA C 13 58.050 0.07 . 1 . . . . A 580 LEU CA . 30368 1 249 . 1 1 24 24 LEU CB C 13 41.423 0.17 . 1 . . . . A 580 LEU CB . 30368 1 250 . 1 1 24 24 LEU CD1 C 13 23.847 0.06 . 1 . . . . A 580 LEU CD1 . 30368 1 251 . 1 1 24 24 LEU CD2 C 13 26.977 0.04 . 1 . . . . A 580 LEU CD2 . 30368 1 252 . 1 1 24 24 LEU N N 15 119.821 0.10 . 1 . . . . A 580 LEU N . 30368 1 253 . 1 1 25 25 SER H H 1 7.953 0.01 . 1 . . . . A 581 SER H . 30368 1 254 . 1 1 25 25 SER HA H 1 3.830 0.01 . 1 . . . . A 581 SER HA . 30368 1 255 . 1 1 25 25 SER HB2 H 1 3.510 0.02 . 2 . . . . A 581 SER HB2 . 30368 1 256 . 1 1 25 25 SER HB3 H 1 3.510 0.02 . 2 . . . . A 581 SER HB3 . 30368 1 257 . 1 1 25 25 SER C C 13 175.148 0.00 . 1 . . . . A 581 SER C . 30368 1 258 . 1 1 25 25 SER CA C 13 61.918 0.12 . 1 . . . . A 581 SER CA . 30368 1 259 . 1 1 25 25 SER CB C 13 62.645 0.19 . 1 . . . . A 581 SER CB . 30368 1 260 . 1 1 25 25 SER N N 15 113.425 0.05 . 1 . . . . A 581 SER N . 30368 1 261 . 1 1 26 26 LEU H H 1 7.578 0.01 . 1 . . . . A 582 LEU H . 30368 1 262 . 1 1 26 26 LEU HA H 1 4.022 0.01 . 1 . . . . A 582 LEU HA . 30368 1 263 . 1 1 26 26 LEU HB2 H 1 1.882 0.01 . 1 . . . . A 582 LEU HB2 . 30368 1 264 . 1 1 26 26 LEU HB3 H 1 1.416 0.01 . 1 . . . . A 582 LEU HB3 . 30368 1 265 . 1 1 26 26 LEU HG H 1 1.706 0.01 . 1 . . . . A 582 LEU HG . 30368 1 266 . 1 1 26 26 LEU HD11 H 1 0.792 0.01 . 1 . . . . A 582 LEU HD11 . 30368 1 267 . 1 1 26 26 LEU HD12 H 1 0.792 0.01 . 1 . . . . A 582 LEU HD12 . 30368 1 268 . 1 1 26 26 LEU HD13 H 1 0.792 0.01 . 1 . . . . A 582 LEU HD13 . 30368 1 269 . 1 1 26 26 LEU HD21 H 1 0.799 0.02 . 1 . . . . A 582 LEU HD21 . 30368 1 270 . 1 1 26 26 LEU HD22 H 1 0.799 0.02 . 1 . . . . A 582 LEU HD22 . 30368 1 271 . 1 1 26 26 LEU HD23 H 1 0.799 0.02 . 1 . . . . A 582 LEU HD23 . 30368 1 272 . 1 1 26 26 LEU C C 13 179.348 0.01 . 1 . . . . A 582 LEU C . 30368 1 273 . 1 1 26 26 LEU CA C 13 58.091 0.02 . 1 . . . . A 582 LEU CA . 30368 1 274 . 1 1 26 26 LEU CB C 13 41.821 0.09 . 1 . . . . A 582 LEU CB . 30368 1 275 . 1 1 26 26 LEU CG C 13 26.662 0.07 . 1 . . . . A 582 LEU CG . 30368 1 276 . 1 1 26 26 LEU CD1 C 13 25.227 0.03 . 1 . . . . A 582 LEU CD1 . 30368 1 277 . 1 1 26 26 LEU CD2 C 13 22.859 0.00 . 1 . . . . A 582 LEU CD2 . 30368 1 278 . 1 1 26 26 LEU N N 15 122.515 0.10 . 1 . . . . A 582 LEU N . 30368 1 279 . 1 1 27 27 ASP H H 1 8.579 0.01 . 1 . . . . A 583 ASP H . 30368 1 280 . 1 1 27 27 ASP HA H 1 4.331 0.02 . 1 . . . . A 583 ASP HA . 30368 1 281 . 1 1 27 27 ASP HB2 H 1 2.780 0.02 . 1 . . . . A 583 ASP HB2 . 30368 1 282 . 1 1 27 27 ASP HB3 H 1 2.380 0.01 . 1 . . . . A 583 ASP HB3 . 30368 1 283 . 1 1 27 27 ASP C C 13 178.813 0.01 . 1 . . . . A 583 ASP C . 30368 1 284 . 1 1 27 27 ASP CA C 13 58.011 0.03 . 1 . . . . A 583 ASP CA . 30368 1 285 . 1 1 27 27 ASP CB C 13 40.763 0.17 . 1 . . . . A 583 ASP CB . 30368 1 286 . 1 1 27 27 ASP N N 15 121.198 0.08 . 1 . . . . A 583 ASP N . 30368 1 287 . 1 1 28 28 ILE H H 1 8.564 0.01 . 1 . . . . A 584 ILE H . 30368 1 288 . 1 1 28 28 ILE HA H 1 3.613 0.01 . 1 . . . . A 584 ILE HA . 30368 1 289 . 1 1 28 28 ILE HB H 1 1.934 0.01 . 1 . . . . A 584 ILE HB . 30368 1 290 . 1 1 28 28 ILE HG12 H 1 2.011 0.01 . 1 . . . . A 584 ILE HG12 . 30368 1 291 . 1 1 28 28 ILE HG13 H 1 0.959 0.02 . 1 . . . . A 584 ILE HG13 . 30368 1 292 . 1 1 28 28 ILE HG21 H 1 0.884 0.01 . 1 . . . . A 584 ILE HG21 . 30368 1 293 . 1 1 28 28 ILE HG22 H 1 0.884 0.01 . 1 . . . . A 584 ILE HG22 . 30368 1 294 . 1 1 28 28 ILE HG23 H 1 0.884 0.01 . 1 . . . . A 584 ILE HG23 . 30368 1 295 . 1 1 28 28 ILE HD11 H 1 0.937 0.01 . 1 . . . . A 584 ILE HD11 . 30368 1 296 . 1 1 28 28 ILE HD12 H 1 0.937 0.01 . 1 . . . . A 584 ILE HD12 . 30368 1 297 . 1 1 28 28 ILE HD13 H 1 0.937 0.01 . 1 . . . . A 584 ILE HD13 . 30368 1 298 . 1 1 28 28 ILE C C 13 177.060 0.00 . 1 . . . . A 584 ILE C . 30368 1 299 . 1 1 28 28 ILE CA C 13 65.929 0.03 . 1 . . . . A 584 ILE CA . 30368 1 300 . 1 1 28 28 ILE CB C 13 37.943 0.07 . 1 . . . . A 584 ILE CB . 30368 1 301 . 1 1 28 28 ILE CG1 C 13 31.710 0.00 . 1 . . . . A 584 ILE CG1 . 30368 1 302 . 1 1 28 28 ILE CG2 C 13 17.443 0.07 . 1 . . . . A 584 ILE CG2 . 30368 1 303 . 1 1 28 28 ILE CD1 C 13 14.351 0.12 . 1 . . . . A 584 ILE CD1 . 30368 1 304 . 1 1 28 28 ILE N N 15 120.114 0.07 . 1 . . . . A 584 ILE N . 30368 1 305 . 1 1 29 29 ASN H H 1 7.447 0.00 . 1 . . . . A 585 ASN H . 30368 1 306 . 1 1 29 29 ASN HA H 1 4.618 0.01 . 1 . . . . A 585 ASN HA . 30368 1 307 . 1 1 29 29 ASN HB2 H 1 2.887 0.01 . 1 . . . . A 585 ASN HB2 . 30368 1 308 . 1 1 29 29 ASN HB3 H 1 2.887 0.01 . 1 . . . . A 585 ASN HB3 . 30368 1 309 . 1 1 29 29 ASN C C 13 175.135 0.00 . 1 . . . . A 585 ASN C . 30368 1 310 . 1 1 29 29 ASN CA C 13 55.296 0.13 . 1 . . . . A 585 ASN CA . 30368 1 311 . 1 1 29 29 ASN CB C 13 39.241 0.05 . 1 . . . . A 585 ASN CB . 30368 1 312 . 1 1 29 29 ASN N N 15 115.469 0.09 . 1 . . . . A 585 ASN N . 30368 1 313 . 1 1 30 30 ARG H H 1 7.535 0.00 . 1 . . . . A 586 ARG H . 30368 1 314 . 1 1 30 30 ARG HA H 1 4.433 0.01 . 1 . . . . A 586 ARG HA . 30368 1 315 . 1 1 30 30 ARG HB2 H 1 1.963 0.02 . 1 . . . . A 586 ARG HB2 . 30368 1 316 . 1 1 30 30 ARG HB3 H 1 1.743 0.01 . 1 . . . . A 586 ARG HB3 . 30368 1 317 . 1 1 30 30 ARG HG2 H 1 1.845 0.01 . 1 . . . . A 586 ARG HG2 . 30368 1 318 . 1 1 30 30 ARG HG3 H 1 1.771 0.01 . 1 . . . . A 586 ARG HG3 . 30368 1 319 . 1 1 30 30 ARG HD2 H 1 3.179 0.01 . 2 . . . . A 586 ARG HD2 . 30368 1 320 . 1 1 30 30 ARG HD3 H 1 3.179 0.01 . 2 . . . . A 586 ARG HD3 . 30368 1 321 . 1 1 30 30 ARG C C 13 175.877 0.00 . 1 . . . . A 586 ARG C . 30368 1 322 . 1 1 30 30 ARG CA C 13 56.126 0.18 . 1 . . . . A 586 ARG CA . 30368 1 323 . 1 1 30 30 ARG CB C 13 31.372 0.05 . 1 . . . . A 586 ARG CB . 30368 1 324 . 1 1 30 30 ARG CG C 13 27.419 0.02 . 1 . . . . A 586 ARG CG . 30368 1 325 . 1 1 30 30 ARG CD C 13 43.872 0.00 . 1 . . . . A 586 ARG CD . 30368 1 326 . 1 1 30 30 ARG N N 15 116.964 0.09 . 1 . . . . A 586 ARG N . 30368 1 327 . 1 1 31 31 LEU H H 1 7.470 0.01 . 1 . . . . A 587 LEU H . 30368 1 328 . 1 1 31 31 LEU HA H 1 4.325 0.01 . 1 . . . . A 587 LEU HA . 30368 1 329 . 1 1 31 31 LEU HB2 H 1 1.998 0.01 . 1 . . . . A 587 LEU HB2 . 30368 1 330 . 1 1 31 31 LEU HB3 H 1 1.305 0.01 . 1 . . . . A 587 LEU HB3 . 30368 1 331 . 1 1 31 31 LEU HG H 1 2.175 0.01 . 1 . . . . A 587 LEU HG . 30368 1 332 . 1 1 31 31 LEU HD11 H 1 0.965 0.01 . 1 . . . . A 587 LEU HD11 . 30368 1 333 . 1 1 31 31 LEU HD12 H 1 0.965 0.01 . 1 . . . . A 587 LEU HD12 . 30368 1 334 . 1 1 31 31 LEU HD13 H 1 0.965 0.01 . 1 . . . . A 587 LEU HD13 . 30368 1 335 . 1 1 31 31 LEU HD21 H 1 0.806 0.01 . 1 . . . . A 587 LEU HD21 . 30368 1 336 . 1 1 31 31 LEU HD22 H 1 0.806 0.01 . 1 . . . . A 587 LEU HD22 . 30368 1 337 . 1 1 31 31 LEU HD23 H 1 0.806 0.01 . 1 . . . . A 587 LEU HD23 . 30368 1 338 . 1 1 31 31 LEU CA C 13 53.818 0.03 . 1 . . . . A 587 LEU CA . 30368 1 339 . 1 1 31 31 LEU CB C 13 41.729 0.01 . 1 . . . . A 587 LEU CB . 30368 1 340 . 1 1 31 31 LEU CG C 13 26.274 0.06 . 1 . . . . A 587 LEU CG . 30368 1 341 . 1 1 31 31 LEU CD1 C 13 26.254 0.00 . 1 . . . . A 587 LEU CD1 . 30368 1 342 . 1 1 31 31 LEU CD2 C 13 24.067 0.00 . 1 . . . . A 587 LEU CD2 . 30368 1 343 . 1 1 31 31 LEU N N 15 121.963 0.09 . 1 . . . . A 587 LEU N . 30368 1 344 . 1 1 32 32 PRO HA H 1 4.580 0.01 . 1 . . . . A 588 PRO HA . 30368 1 345 . 1 1 32 32 PRO HB2 H 1 2.485 0.01 . 1 . . . . A 588 PRO HB2 . 30368 1 346 . 1 1 32 32 PRO HB3 H 1 2.007 0.01 . 1 . . . . A 588 PRO HB3 . 30368 1 347 . 1 1 32 32 PRO HG2 H 1 2.145 0.01 . 1 . . . . A 588 PRO HG2 . 30368 1 348 . 1 1 32 32 PRO HG3 H 1 1.971 0.01 . 1 . . . . A 588 PRO HG3 . 30368 1 349 . 1 1 32 32 PRO HD2 H 1 3.927 0.01 . 1 . . . . A 588 PRO HD2 . 30368 1 350 . 1 1 32 32 PRO HD3 H 1 3.354 0.01 . 1 . . . . A 588 PRO HD3 . 30368 1 351 . 1 1 32 32 PRO C C 13 177.676 0.00 . 1 . . . . A 588 PRO C . 30368 1 352 . 1 1 32 32 PRO CA C 13 62.501 0.11 . 1 . . . . A 588 PRO CA . 30368 1 353 . 1 1 32 32 PRO CB C 13 32.647 0.06 . 1 . . . . A 588 PRO CB . 30368 1 354 . 1 1 32 32 PRO CG C 13 27.888 0.00 . 1 . . . . A 588 PRO CG . 30368 1 355 . 1 1 32 32 PRO CD C 13 50.446 0.00 . 1 . . . . A 588 PRO CD . 30368 1 356 . 1 1 33 33 GLY H H 1 8.882 0.00 . 1 . . . . A 589 GLY H . 30368 1 357 . 1 1 33 33 GLY HA2 H 1 3.748 0.01 . 1 . . . . A 589 GLY HA2 . 30368 1 358 . 1 1 33 33 GLY HA3 H 1 4.054 0.01 . 1 . . . . A 589 GLY HA3 . 30368 1 359 . 1 1 33 33 GLY C C 13 176.135 0.06 . 1 . . . . A 589 GLY C . 30368 1 360 . 1 1 33 33 GLY CA C 13 48.031 0.22 . 1 . . . . A 589 GLY CA . 30368 1 361 . 1 1 33 33 GLY N N 15 110.291 0.08 . 1 . . . . A 589 GLY N . 30368 1 362 . 1 1 34 34 GLU H H 1 7.667 0.01 . 1 . . . . A 590 GLU H . 30368 1 363 . 1 1 34 34 GLU HA H 1 4.292 0.01 . 1 . . . . A 590 GLU HA . 30368 1 364 . 1 1 34 34 GLU HB2 H 1 2.079 0.03 . 1 . . . . A 590 GLU HB2 . 30368 1 365 . 1 1 34 34 GLU HB3 H 1 2.086 0.01 . 1 . . . . A 590 GLU HB3 . 30368 1 366 . 1 1 34 34 GLU HG2 H 1 2.314 0.01 . 1 . . . . A 590 GLU HG2 . 30368 1 367 . 1 1 34 34 GLU HG3 H 1 2.257 0.01 . 1 . . . . A 590 GLU HG3 . 30368 1 368 . 1 1 34 34 GLU C C 13 177.323 0.10 . 1 . . . . A 590 GLU C . 30368 1 369 . 1 1 34 34 GLU CA C 13 58.977 0.22 . 1 . . . . A 590 GLU CA . 30368 1 370 . 1 1 34 34 GLU CB C 13 29.301 0.14 . 1 . . . . A 590 GLU CB . 30368 1 371 . 1 1 34 34 GLU CG C 13 36.103 0.04 . 1 . . . . A 590 GLU CG . 30368 1 372 . 1 1 34 34 GLU N N 15 120.667 0.09 . 1 . . . . A 590 GLU N . 30368 1 373 . 1 1 35 35 LYS H H 1 7.932 0.01 . 1 . . . . A 591 LYS H . 30368 1 374 . 1 1 35 35 LYS HA H 1 4.612 0.02 . 1 . . . . A 591 LYS HA . 30368 1 375 . 1 1 35 35 LYS HB2 H 1 2.391 0.03 . 1 . . . . A 591 LYS HB2 . 30368 1 376 . 1 1 35 35 LYS HB3 H 1 1.987 0.03 . 1 . . . . A 591 LYS HB3 . 30368 1 377 . 1 1 35 35 LYS HG2 H 1 1.498 0.01 . 2 . . . . A 591 LYS HG2 . 30368 1 378 . 1 1 35 35 LYS HG3 H 1 1.498 0.01 . 2 . . . . A 591 LYS HG3 . 30368 1 379 . 1 1 35 35 LYS HD2 H 1 1.766 0.01 . 2 . . . . A 591 LYS HD2 . 30368 1 380 . 1 1 35 35 LYS HD3 H 1 1.766 0.01 . 2 . . . . A 591 LYS HD3 . 30368 1 381 . 1 1 35 35 LYS HE2 H 1 3.272 0.01 . 2 . . . . A 591 LYS HE2 . 30368 1 382 . 1 1 35 35 LYS HE3 H 1 3.272 0.01 . 2 . . . . A 591 LYS HE3 . 30368 1 383 . 1 1 35 35 LYS C C 13 177.924 0.01 . 1 . . . . A 591 LYS C . 30368 1 384 . 1 1 35 35 LYS CA C 13 55.526 0.12 . 1 . . . . A 591 LYS CA . 30368 1 385 . 1 1 35 35 LYS CB C 13 33.258 0.02 . 1 . . . . A 591 LYS CB . 30368 1 386 . 1 1 35 35 LYS CG C 13 25.641 0.00 . 1 . . . . A 591 LYS CG . 30368 1 387 . 1 1 35 35 LYS CD C 13 28.008 0.00 . 1 . . . . A 591 LYS CD . 30368 1 388 . 1 1 35 35 LYS CE C 13 42.560 0.00 . 1 . . . . A 591 LYS CE . 30368 1 389 . 1 1 35 35 LYS N N 15 116.625 0.09 . 1 . . . . A 591 LYS N . 30368 1 390 . 1 1 36 36 LEU H H 1 7.805 0.01 . 1 . . . . A 592 LEU H . 30368 1 391 . 1 1 36 36 LEU HA H 1 4.145 0.01 . 1 . . . . A 592 LEU HA . 30368 1 392 . 1 1 36 36 LEU HB2 H 1 1.885 0.00 . 1 . . . . A 592 LEU HB2 . 30368 1 393 . 1 1 36 36 LEU HB3 H 1 1.499 0.01 . 1 . . . . A 592 LEU HB3 . 30368 1 394 . 1 1 36 36 LEU HG H 1 1.705 0.01 . 1 . . . . A 592 LEU HG . 30368 1 395 . 1 1 36 36 LEU HD11 H 1 1.000 0.01 . 1 . . . . A 592 LEU HD11 . 30368 1 396 . 1 1 36 36 LEU HD12 H 1 1.000 0.01 . 1 . . . . A 592 LEU HD12 . 30368 1 397 . 1 1 36 36 LEU HD13 H 1 1.000 0.01 . 1 . . . . A 592 LEU HD13 . 30368 1 398 . 1 1 36 36 LEU HD21 H 1 0.936 0.01 . 1 . . . . A 592 LEU HD21 . 30368 1 399 . 1 1 36 36 LEU HD22 H 1 0.936 0.01 . 1 . . . . A 592 LEU HD22 . 30368 1 400 . 1 1 36 36 LEU HD23 H 1 0.936 0.01 . 1 . . . . A 592 LEU HD23 . 30368 1 401 . 1 1 36 36 LEU C C 13 178.054 0.00 . 1 . . . . A 592 LEU C . 30368 1 402 . 1 1 36 36 LEU CA C 13 57.626 0.19 . 1 . . . . A 592 LEU CA . 30368 1 403 . 1 1 36 36 LEU CB C 13 42.276 0.13 . 1 . . . . A 592 LEU CB . 30368 1 404 . 1 1 36 36 LEU CG C 13 26.941 0.08 . 1 . . . . A 592 LEU CG . 30368 1 405 . 1 1 36 36 LEU CD1 C 13 24.761 0.15 . 1 . . . . A 592 LEU CD1 . 30368 1 406 . 1 1 36 36 LEU CD2 C 13 24.025 0.17 . 1 . . . . A 592 LEU CD2 . 30368 1 407 . 1 1 36 36 LEU N N 15 121.124 0.10 . 1 . . . . A 592 LEU N . 30368 1 408 . 1 1 37 37 GLY H H 1 8.347 0.00 . 1 . . . . A 593 GLY H . 30368 1 409 . 1 1 37 37 GLY HA2 H 1 3.653 0.00 . 1 . . . . A 593 GLY HA2 . 30368 1 410 . 1 1 37 37 GLY HA3 H 1 3.911 0.01 . 1 . . . . A 593 GLY HA3 . 30368 1 411 . 1 1 37 37 GLY CA C 13 47.454 0.17 . 1 . . . . A 593 GLY CA . 30368 1 412 . 1 1 37 37 GLY N N 15 107.407 0.10 . 1 . . . . A 593 GLY N . 30368 1 413 . 1 1 38 38 ARG H H 1 9.444 0.00 . 1 . . . . A 594 ARG H . 30368 1 414 . 1 1 38 38 ARG HA H 1 4.052 0.02 . 1 . . . . A 594 ARG HA . 30368 1 415 . 1 1 38 38 ARG HB2 H 1 1.679 0.02 . 1 . . . . A 594 ARG HB2 . 30368 1 416 . 1 1 38 38 ARG HB3 H 1 1.514 0.01 . 1 . . . . A 594 ARG HB3 . 30368 1 417 . 1 1 38 38 ARG HG2 H 1 1.234 0.01 . 1 . . . . A 594 ARG HG2 . 30368 1 418 . 1 1 38 38 ARG HG3 H 1 1.142 0.01 . 1 . . . . A 594 ARG HG3 . 30368 1 419 . 1 1 38 38 ARG HD2 H 1 3.051 0.02 . 1 . . . . A 594 ARG HD2 . 30368 1 420 . 1 1 38 38 ARG HD3 H 1 2.930 0.01 . 1 . . . . A 594 ARG HD3 . 30368 1 421 . 1 1 38 38 ARG C C 13 177.157 0.01 . 1 . . . . A 594 ARG C . 30368 1 422 . 1 1 38 38 ARG CA C 13 57.880 0.19 . 1 . . . . A 594 ARG CA . 30368 1 423 . 1 1 38 38 ARG CB C 13 29.087 0.10 . 1 . . . . A 594 ARG CB . 30368 1 424 . 1 1 38 38 ARG CG C 13 26.040 0.03 . 1 . . . . A 594 ARG CG . 30368 1 425 . 1 1 38 38 ARG CD C 13 42.671 0.00 . 1 . . . . A 594 ARG CD . 30368 1 426 . 1 1 38 38 ARG N N 15 119.476 0.03 . 1 . . . . A 594 ARG N . 30368 1 427 . 1 1 39 39 VAL H H 1 7.288 0.00 . 1 . . . . A 595 VAL H . 30368 1 428 . 1 1 39 39 VAL HA H 1 3.299 0.01 . 1 . . . . A 595 VAL HA . 30368 1 429 . 1 1 39 39 VAL HB H 1 2.641 0.01 . 1 . . . . A 595 VAL HB . 30368 1 430 . 1 1 39 39 VAL HG11 H 1 1.146 0.01 . 1 . . . . A 595 VAL HG11 . 30368 1 431 . 1 1 39 39 VAL HG12 H 1 1.146 0.01 . 1 . . . . A 595 VAL HG12 . 30368 1 432 . 1 1 39 39 VAL HG13 H 1 1.146 0.01 . 1 . . . . A 595 VAL HG13 . 30368 1 433 . 1 1 39 39 VAL HG21 H 1 0.880 0.01 . 1 . . . . A 595 VAL HG21 . 30368 1 434 . 1 1 39 39 VAL HG22 H 1 0.880 0.01 . 1 . . . . A 595 VAL HG22 . 30368 1 435 . 1 1 39 39 VAL HG23 H 1 0.880 0.01 . 1 . . . . A 595 VAL HG23 . 30368 1 436 . 1 1 39 39 VAL C C 13 176.142 0.00 . 1 . . . . A 595 VAL C . 30368 1 437 . 1 1 39 39 VAL CA C 13 67.087 0.05 . 1 . . . . A 595 VAL CA . 30368 1 438 . 1 1 39 39 VAL CB C 13 31.143 0.09 . 1 . . . . A 595 VAL CB . 30368 1 439 . 1 1 39 39 VAL CG1 C 13 23.234 0.06 . 1 . . . . A 595 VAL CG1 . 30368 1 440 . 1 1 39 39 VAL CG2 C 13 20.820 0.00 . 1 . . . . A 595 VAL CG2 . 30368 1 441 . 1 1 39 39 VAL N N 15 118.882 0.09 . 1 . . . . A 595 VAL N . 30368 1 442 . 1 1 40 40 VAL H H 1 7.340 0.01 . 1 . . . . A 596 VAL H . 30368 1 443 . 1 1 40 40 VAL HA H 1 3.303 0.01 . 1 . . . . A 596 VAL HA . 30368 1 444 . 1 1 40 40 VAL HB H 1 2.116 0.01 . 1 . . . . A 596 VAL HB . 30368 1 445 . 1 1 40 40 VAL HG11 H 1 0.939 0.01 . 1 . . . . A 596 VAL HG11 . 30368 1 446 . 1 1 40 40 VAL HG12 H 1 0.939 0.01 . 1 . . . . A 596 VAL HG12 . 30368 1 447 . 1 1 40 40 VAL HG13 H 1 0.939 0.01 . 1 . . . . A 596 VAL HG13 . 30368 1 448 . 1 1 40 40 VAL HG21 H 1 0.851 0.01 . 1 . . . . A 596 VAL HG21 . 30368 1 449 . 1 1 40 40 VAL HG22 H 1 0.851 0.01 . 1 . . . . A 596 VAL HG22 . 30368 1 450 . 1 1 40 40 VAL HG23 H 1 0.851 0.01 . 1 . . . . A 596 VAL HG23 . 30368 1 451 . 1 1 40 40 VAL C C 13 176.346 0.02 . 1 . . . . A 596 VAL C . 30368 1 452 . 1 1 40 40 VAL CA C 13 67.260 0.04 . 1 . . . . A 596 VAL CA . 30368 1 453 . 1 1 40 40 VAL CB C 13 31.439 0.11 . 1 . . . . A 596 VAL CB . 30368 1 454 . 1 1 40 40 VAL CG1 C 13 23.120 0.00 . 1 . . . . A 596 VAL CG1 . 30368 1 455 . 1 1 40 40 VAL CG2 C 13 21.359 0.06 . 1 . . . . A 596 VAL CG2 . 30368 1 456 . 1 1 40 40 VAL N N 15 116.996 0.08 . 1 . . . . A 596 VAL N . 30368 1 457 . 1 1 41 41 HIS H H 1 7.749 0.01 . 1 . . . . A 597 HIS H . 30368 1 458 . 1 1 41 41 HIS HA H 1 4.304 0.01 . 1 . . . . A 597 HIS HA . 30368 1 459 . 1 1 41 41 HIS HB2 H 1 3.111 0.00 . 2 . . . . A 597 HIS HB2 . 30368 1 460 . 1 1 41 41 HIS HB3 H 1 3.111 0.00 . 2 . . . . A 597 HIS HB3 . 30368 1 461 . 1 1 41 41 HIS C C 13 178.018 0.00 . 1 . . . . A 597 HIS C . 30368 1 462 . 1 1 41 41 HIS CA C 13 60.111 0.12 . 1 . . . . A 597 HIS CA . 30368 1 463 . 1 1 41 41 HIS CB C 13 31.018 0.08 . 1 . . . . A 597 HIS CB . 30368 1 464 . 1 1 41 41 HIS N N 15 118.884 0.07 . 1 . . . . A 597 HIS N . 30368 1 465 . 1 1 42 42 ILE H H 1 8.473 0.01 . 1 . . . . A 598 ILE H . 30368 1 466 . 1 1 42 42 ILE HA H 1 3.408 0.01 . 1 . . . . A 598 ILE HA . 30368 1 467 . 1 1 42 42 ILE HB H 1 1.848 0.01 . 1 . . . . A 598 ILE HB . 30368 1 468 . 1 1 42 42 ILE HG12 H 1 1.817 0.00 . 1 . . . . A 598 ILE HG12 . 30368 1 469 . 1 1 42 42 ILE HG13 H 1 0.885 0.01 . 1 . . . . A 598 ILE HG13 . 30368 1 470 . 1 1 42 42 ILE HG21 H 1 0.801 0.01 . 1 . . . . A 598 ILE HG21 . 30368 1 471 . 1 1 42 42 ILE HG22 H 1 0.801 0.01 . 1 . . . . A 598 ILE HG22 . 30368 1 472 . 1 1 42 42 ILE HG23 H 1 0.801 0.01 . 1 . . . . A 598 ILE HG23 . 30368 1 473 . 1 1 42 42 ILE HD11 H 1 0.743 0.01 . 1 . . . . A 598 ILE HD11 . 30368 1 474 . 1 1 42 42 ILE HD12 H 1 0.743 0.01 . 1 . . . . A 598 ILE HD12 . 30368 1 475 . 1 1 42 42 ILE HD13 H 1 0.743 0.01 . 1 . . . . A 598 ILE HD13 . 30368 1 476 . 1 1 42 42 ILE C C 13 177.130 0.02 . 1 . . . . A 598 ILE C . 30368 1 477 . 1 1 42 42 ILE CA C 13 65.643 0.50 . 1 . . . . A 598 ILE CA . 30368 1 478 . 1 1 42 42 ILE CB C 13 38.331 0.04 . 1 . . . . A 598 ILE CB . 30368 1 479 . 1 1 42 42 ILE CG1 C 13 29.594 0.00 . 1 . . . . A 598 ILE CG1 . 30368 1 480 . 1 1 42 42 ILE CG2 C 13 18.346 0.05 . 1 . . . . A 598 ILE CG2 . 30368 1 481 . 1 1 42 42 ILE CD1 C 13 14.118 0.06 . 1 . . . . A 598 ILE CD1 . 30368 1 482 . 1 1 42 42 ILE N N 15 121.653 0.08 . 1 . . . . A 598 ILE N . 30368 1 483 . 1 1 43 43 ILE H H 1 7.560 0.01 . 1 . . . . A 599 ILE H . 30368 1 484 . 1 1 43 43 ILE HA H 1 3.406 0.01 . 1 . . . . A 599 ILE HA . 30368 1 485 . 1 1 43 43 ILE HB H 1 1.832 0.01 . 1 . . . . A 599 ILE HB . 30368 1 486 . 1 1 43 43 ILE HG12 H 1 1.712 0.02 . 1 . . . . A 599 ILE HG12 . 30368 1 487 . 1 1 43 43 ILE HG13 H 1 0.927 0.01 . 1 . . . . A 599 ILE HG13 . 30368 1 488 . 1 1 43 43 ILE HG21 H 1 0.706 0.00 . 1 . . . . A 599 ILE HG21 . 30368 1 489 . 1 1 43 43 ILE HG22 H 1 0.706 0.00 . 1 . . . . A 599 ILE HG22 . 30368 1 490 . 1 1 43 43 ILE HG23 H 1 0.706 0.00 . 1 . . . . A 599 ILE HG23 . 30368 1 491 . 1 1 43 43 ILE HD11 H 1 0.506 0.01 . 1 . . . . A 599 ILE HD11 . 30368 1 492 . 1 1 43 43 ILE HD12 H 1 0.506 0.01 . 1 . . . . A 599 ILE HD12 . 30368 1 493 . 1 1 43 43 ILE HD13 H 1 0.506 0.01 . 1 . . . . A 599 ILE HD13 . 30368 1 494 . 1 1 43 43 ILE C C 13 176.621 0.00 . 1 . . . . A 599 ILE C . 30368 1 495 . 1 1 43 43 ILE CA C 13 66.230 0.12 . 1 . . . . A 599 ILE CA . 30368 1 496 . 1 1 43 43 ILE CB C 13 38.193 0.13 . 1 . . . . A 599 ILE CB . 30368 1 497 . 1 1 43 43 ILE CG1 C 13 29.516 0.04 . 1 . . . . A 599 ILE CG1 . 30368 1 498 . 1 1 43 43 ILE CG2 C 13 16.973 0.05 . 1 . . . . A 599 ILE CG2 . 30368 1 499 . 1 1 43 43 ILE CD1 C 13 14.283 0.11 . 1 . . . . A 599 ILE CD1 . 30368 1 500 . 1 1 43 43 ILE N N 15 117.177 0.10 . 1 . . . . A 599 ILE N . 30368 1 501 . 1 1 44 44 GLN H H 1 8.747 0.01 . 1 . . . . A 600 GLN H . 30368 1 502 . 1 1 44 44 GLN HA H 1 3.785 0.01 . 1 . . . . A 600 GLN HA . 30368 1 503 . 1 1 44 44 GLN HB2 H 1 2.091 0.01 . 1 . . . . A 600 GLN HB2 . 30368 1 504 . 1 1 44 44 GLN HB3 H 1 1.869 0.03 . 1 . . . . A 600 GLN HB3 . 30368 1 505 . 1 1 44 44 GLN HG2 H 1 2.555 0.00 . 1 . . . . A 600 GLN HG2 . 30368 1 506 . 1 1 44 44 GLN HG3 H 1 2.113 0.01 . 1 . . . . A 600 GLN HG3 . 30368 1 507 . 1 1 44 44 GLN HE21 H 1 7.223 0.00 . 1 . . . . A 600 GLN HE21 . 30368 1 508 . 1 1 44 44 GLN HE22 H 1 6.573 0.00 . 1 . . . . A 600 GLN HE22 . 30368 1 509 . 1 1 44 44 GLN C C 13 176.988 0.01 . 1 . . . . A 600 GLN C . 30368 1 510 . 1 1 44 44 GLN CA C 13 59.734 0.03 . 1 . . . . A 600 GLN CA . 30368 1 511 . 1 1 44 44 GLN CB C 13 28.959 0.05 . 1 . . . . A 600 GLN CB . 30368 1 512 . 1 1 44 44 GLN CG C 13 35.050 0.00 . 1 . . . . A 600 GLN CG . 30368 1 513 . 1 1 44 44 GLN N N 15 116.089 0.11 . 1 . . . . A 600 GLN N . 30368 1 514 . 1 1 44 44 GLN NE2 N 15 111.096 0.01 . 1 . . . . A 600 GLN NE2 . 30368 1 515 . 1 1 45 45 SER H H 1 8.019 0.01 . 1 . . . . A 601 SER H . 30368 1 516 . 1 1 45 45 SER HA H 1 4.093 0.01 . 1 . . . . A 601 SER HA . 30368 1 517 . 1 1 45 45 SER HB2 H 1 3.792 0.01 . 1 . . . . A 601 SER HB2 . 30368 1 518 . 1 1 45 45 SER HB3 H 1 3.644 0.01 . 1 . . . . A 601 SER HB3 . 30368 1 519 . 1 1 45 45 SER C C 13 175.064 0.00 . 1 . . . . A 601 SER C . 30368 1 520 . 1 1 45 45 SER CA C 13 61.079 0.12 . 1 . . . . A 601 SER CA . 30368 1 521 . 1 1 45 45 SER CB C 13 63.277 0.14 . 1 . . . . A 601 SER CB . 30368 1 522 . 1 1 45 45 SER N N 15 111.840 0.10 . 1 . . . . A 601 SER N . 30368 1 523 . 1 1 46 46 ARG H H 1 7.331 0.01 . 1 . . . . A 602 ARG H . 30368 1 524 . 1 1 46 46 ARG HA H 1 4.344 0.01 . 1 . . . . A 602 ARG HA . 30368 1 525 . 1 1 46 46 ARG HB2 H 1 1.992 0.01 . 1 . . . . A 602 ARG HB2 . 30368 1 526 . 1 1 46 46 ARG HB3 H 1 1.775 0.01 . 1 . . . . A 602 ARG HB3 . 30368 1 527 . 1 1 46 46 ARG HG2 H 1 1.631 0.01 . 2 . . . . A 602 ARG HG2 . 30368 1 528 . 1 1 46 46 ARG HG3 H 1 1.631 0.01 . 2 . . . . A 602 ARG HG3 . 30368 1 529 . 1 1 46 46 ARG HD2 H 1 3.020 0.01 . 2 . . . . A 602 ARG HD2 . 30368 1 530 . 1 1 46 46 ARG HD3 H 1 3.020 0.01 . 2 . . . . A 602 ARG HD3 . 30368 1 531 . 1 1 46 46 ARG C C 13 175.671 0.01 . 1 . . . . A 602 ARG C . 30368 1 532 . 1 1 46 46 ARG CA C 13 56.344 0.01 . 1 . . . . A 602 ARG CA . 30368 1 533 . 1 1 46 46 ARG CB C 13 33.682 0.04 . 1 . . . . A 602 ARG CB . 30368 1 534 . 1 1 46 46 ARG CG C 13 27.581 0.00 . 1 . . . . A 602 ARG CG . 30368 1 535 . 1 1 46 46 ARG CD C 13 42.392 0.00 . 1 . . . . A 602 ARG CD . 30368 1 536 . 1 1 46 46 ARG N N 15 118.504 0.08 . 1 . . . . A 602 ARG N . 30368 1 537 . 1 1 47 47 GLU H H 1 7.773 0.01 . 1 . . . . A 603 GLU H . 30368 1 538 . 1 1 47 47 GLU HA H 1 4.905 0.01 . 1 . . . . A 603 GLU HA . 30368 1 539 . 1 1 47 47 GLU HB2 H 1 2.048 0.01 . 1 . . . . A 603 GLU HB2 . 30368 1 540 . 1 1 47 47 GLU HB3 H 1 1.851 0.01 . 1 . . . . A 603 GLU HB3 . 30368 1 541 . 1 1 47 47 GLU HG2 H 1 2.203 0.01 . 2 . . . . A 603 GLU HG2 . 30368 1 542 . 1 1 47 47 GLU HG3 H 1 2.203 0.01 . 2 . . . . A 603 GLU HG3 . 30368 1 543 . 1 1 47 47 GLU C C 13 181.371 0.00 . 1 . . . . A 603 GLU C . 30368 1 544 . 1 1 47 47 GLU CA C 13 52.913 0.03 . 1 . . . . A 603 GLU CA . 30368 1 545 . 1 1 47 47 GLU CB C 13 29.144 0.00 . 1 . . . . A 603 GLU CB . 30368 1 546 . 1 1 47 47 GLU CG C 13 35.237 0.00 . 1 . . . . A 603 GLU CG . 30368 1 547 . 1 1 47 47 GLU N N 15 118.227 0.09 . 1 . . . . A 603 GLU N . 30368 1 548 . 1 1 48 48 PRO HA H 1 4.179 0.01 . 1 . . . . A 604 PRO HA . 30368 1 549 . 1 1 48 48 PRO HB2 H 1 2.186 0.01 . 1 . . . . A 604 PRO HB2 . 30368 1 550 . 1 1 48 48 PRO HB3 H 1 1.860 0.01 . 1 . . . . A 604 PRO HB3 . 30368 1 551 . 1 1 48 48 PRO HG2 H 1 1.960 0.01 . 1 . . . . A 604 PRO HG2 . 30368 1 552 . 1 1 48 48 PRO HG3 H 1 1.904 0.01 . 1 . . . . A 604 PRO HG3 . 30368 1 553 . 1 1 48 48 PRO HD2 H 1 3.756 0.01 . 1 . . . . A 604 PRO HD2 . 30368 1 554 . 1 1 48 48 PRO HD3 H 1 3.605 0.01 . 1 . . . . A 604 PRO HD3 . 30368 1 555 . 1 1 48 48 PRO CA C 13 64.915 0.04 . 1 . . . . A 604 PRO CA . 30368 1 556 . 1 1 48 48 PRO CB C 13 32.163 0.10 . 1 . . . . A 604 PRO CB . 30368 1 557 . 1 1 48 48 PRO CG C 13 27.363 0.00 . 1 . . . . A 604 PRO CG . 30368 1 558 . 1 1 48 48 PRO CD C 13 50.680 0.00 . 1 . . . . A 604 PRO CD . 30368 1 559 . 1 1 49 49 SER H H 1 8.307 0.01 . 1 . . . . A 605 SER H . 30368 1 560 . 1 1 49 49 SER HA H 1 4.237 0.01 . 1 . . . . A 605 SER HA . 30368 1 561 . 1 1 49 49 SER HB2 H 1 3.986 0.01 . 2 . . . . A 605 SER HB2 . 30368 1 562 . 1 1 49 49 SER HB3 H 1 3.986 0.01 . 2 . . . . A 605 SER HB3 . 30368 1 563 . 1 1 49 49 SER C C 13 174.400 0.00 . 1 . . . . A 605 SER C . 30368 1 564 . 1 1 49 49 SER CA C 13 60.317 0.04 . 1 . . . . A 605 SER CA . 30368 1 565 . 1 1 49 49 SER CB C 13 63.314 0.06 . 1 . . . . A 605 SER CB . 30368 1 566 . 1 1 49 49 SER N N 15 112.121 0.05 . 1 . . . . A 605 SER N . 30368 1 567 . 1 1 50 50 LEU H H 1 7.919 0.01 . 1 . . . . A 606 LEU H . 30368 1 568 . 1 1 50 50 LEU HA H 1 4.573 0.01 . 1 . . . . A 606 LEU HA . 30368 1 569 . 1 1 50 50 LEU HB2 H 1 1.633 0.01 . 1 . . . . A 606 LEU HB2 . 30368 1 570 . 1 1 50 50 LEU HB3 H 1 1.564 0.02 . 1 . . . . A 606 LEU HB3 . 30368 1 571 . 1 1 50 50 LEU HG H 1 1.608 0.01 . 1 . . . . A 606 LEU HG . 30368 1 572 . 1 1 50 50 LEU HD11 H 1 0.854 0.01 . 1 . . . . A 606 LEU HD11 . 30368 1 573 . 1 1 50 50 LEU HD12 H 1 0.854 0.01 . 1 . . . . A 606 LEU HD12 . 30368 1 574 . 1 1 50 50 LEU HD13 H 1 0.854 0.01 . 1 . . . . A 606 LEU HD13 . 30368 1 575 . 1 1 50 50 LEU HD21 H 1 0.811 0.01 . 1 . . . . A 606 LEU HD21 . 30368 1 576 . 1 1 50 50 LEU HD22 H 1 0.811 0.01 . 1 . . . . A 606 LEU HD22 . 30368 1 577 . 1 1 50 50 LEU HD23 H 1 0.811 0.01 . 1 . . . . A 606 LEU HD23 . 30368 1 578 . 1 1 50 50 LEU C C 13 176.882 0.01 . 1 . . . . A 606 LEU C . 30368 1 579 . 1 1 50 50 LEU CA C 13 54.802 0.09 . 1 . . . . A 606 LEU CA . 30368 1 580 . 1 1 50 50 LEU CB C 13 42.440 0.18 . 1 . . . . A 606 LEU CB . 30368 1 581 . 1 1 50 50 LEU CG C 13 26.537 0.00 . 1 . . . . A 606 LEU CG . 30368 1 582 . 1 1 50 50 LEU CD1 C 13 23.568 0.00 . 1 . . . . A 606 LEU CD1 . 30368 1 583 . 1 1 50 50 LEU CD2 C 13 25.728 0.02 . 1 . . . . A 606 LEU CD2 . 30368 1 584 . 1 1 50 50 LEU N N 15 122.223 0.08 . 1 . . . . A 606 LEU N . 30368 1 585 . 1 1 51 51 ARG H H 1 7.663 0.01 . 1 . . . . A 607 ARG H . 30368 1 586 . 1 1 51 51 ARG HA H 1 4.070 0.01 . 1 . . . . A 607 ARG HA . 30368 1 587 . 1 1 51 51 ARG HB2 H 1 1.833 0.01 . 2 . . . . A 607 ARG HB2 . 30368 1 588 . 1 1 51 51 ARG HB3 H 1 1.833 0.01 . 2 . . . . A 607 ARG HB3 . 30368 1 589 . 1 1 51 51 ARG HG2 H 1 1.662 0.00 . 1 . . . . A 607 ARG HG2 . 30368 1 590 . 1 1 51 51 ARG HG3 H 1 1.609 0.02 . 1 . . . . A 607 ARG HG3 . 30368 1 591 . 1 1 51 51 ARG HD2 H 1 3.162 0.01 . 2 . . . . A 607 ARG HD2 . 30368 1 592 . 1 1 51 51 ARG HD3 H 1 3.162 0.01 . 2 . . . . A 607 ARG HD3 . 30368 1 593 . 1 1 51 51 ARG C C 13 175.213 0.02 . 1 . . . . A 607 ARG C . 30368 1 594 . 1 1 51 51 ARG CA C 13 58.448 0.03 . 1 . . . . A 607 ARG CA . 30368 1 595 . 1 1 51 51 ARG CB C 13 31.056 0.05 . 1 . . . . A 607 ARG CB . 30368 1 596 . 1 1 51 51 ARG CG C 13 26.933 0.05 . 1 . . . . A 607 ARG CG . 30368 1 597 . 1 1 51 51 ARG CD C 13 43.461 0.00 . 1 . . . . A 607 ARG CD . 30368 1 598 . 1 1 51 51 ARG N N 15 121.701 0.10 . 1 . . . . A 607 ARG N . 30368 1 599 . 1 1 52 52 ASP H H 1 8.254 0.00 . 1 . . . . A 608 ASP H . 30368 1 600 . 1 1 52 52 ASP HA H 1 4.678 0.01 . 1 . . . . A 608 ASP HA . 30368 1 601 . 1 1 52 52 ASP HB2 H 1 2.722 0.01 . 1 . . . . A 608 ASP HB2 . 30368 1 602 . 1 1 52 52 ASP HB3 H 1 2.554 0.01 . 1 . . . . A 608 ASP HB3 . 30368 1 603 . 1 1 52 52 ASP C C 13 175.267 0.00 . 1 . . . . A 608 ASP C . 30368 1 604 . 1 1 52 52 ASP CA C 13 54.253 0.13 . 1 . . . . A 608 ASP CA . 30368 1 605 . 1 1 52 52 ASP CB C 13 41.142 0.11 . 1 . . . . A 608 ASP CB . 30368 1 606 . 1 1 52 52 ASP N N 15 118.317 0.12 . 1 . . . . A 608 ASP N . 30368 1 607 . 1 1 53 53 SER H H 1 7.643 0.01 . 1 . . . . A 609 SER H . 30368 1 608 . 1 1 53 53 SER HA H 1 4.345 0.02 . 1 . . . . A 609 SER HA . 30368 1 609 . 1 1 53 53 SER HB2 H 1 3.848 0.01 . 1 . . . . A 609 SER HB2 . 30368 1 610 . 1 1 53 53 SER HB3 H 1 3.817 0.03 . 1 . . . . A 609 SER HB3 . 30368 1 611 . 1 1 53 53 SER C C 13 176.111 0.01 . 1 . . . . A 609 SER C . 30368 1 612 . 1 1 53 53 SER CA C 13 59.026 0.04 . 1 . . . . A 609 SER CA . 30368 1 613 . 1 1 53 53 SER CB C 13 64.339 0.08 . 1 . . . . A 609 SER CB . 30368 1 614 . 1 1 53 53 SER N N 15 115.582 0.09 . 1 . . . . A 609 SER N . 30368 1 615 . 1 1 54 54 ASN H H 1 8.608 0.00 . 1 . . . . A 610 ASN H . 30368 1 616 . 1 1 54 54 ASN HA H 1 4.851 0.00 . 1 . . . . A 610 ASN HA . 30368 1 617 . 1 1 54 54 ASN HB2 H 1 3.025 0.01 . 1 . . . . A 610 ASN HB2 . 30368 1 618 . 1 1 54 54 ASN HB3 H 1 2.763 0.01 . 1 . . . . A 610 ASN HB3 . 30368 1 619 . 1 1 54 54 ASN HD21 H 1 7.700 0.01 . 1 . . . . A 610 ASN HD21 . 30368 1 620 . 1 1 54 54 ASN HD22 H 1 7.076 0.00 . 1 . . . . A 610 ASN HD22 . 30368 1 621 . 1 1 54 54 ASN C C 13 181.500 0.00 . 1 . . . . A 610 ASN C . 30368 1 622 . 1 1 54 54 ASN CA C 13 51.689 0.02 . 1 . . . . A 610 ASN CA . 30368 1 623 . 1 1 54 54 ASN CB C 13 39.265 0.09 . 1 . . . . A 610 ASN CB . 30368 1 624 . 1 1 54 54 ASN N N 15 122.698 0.10 . 1 . . . . A 610 ASN N . 30368 1 625 . 1 1 54 54 ASN ND2 N 15 113.299 0.00 . 1 . . . . A 610 ASN ND2 . 30368 1 626 . 1 1 55 55 PRO HA H 1 4.434 0.01 . 1 . . . . A 611 PRO HA . 30368 1 627 . 1 1 55 55 PRO HB2 H 1 2.266 0.02 . 1 . . . . A 611 PRO HB2 . 30368 1 628 . 1 1 55 55 PRO HB3 H 1 1.907 0.01 . 1 . . . . A 611 PRO HB3 . 30368 1 629 . 1 1 55 55 PRO HG2 H 1 1.965 0.01 . 2 . . . . A 611 PRO HG2 . 30368 1 630 . 1 1 55 55 PRO HG3 H 1 1.965 0.01 . 2 . . . . A 611 PRO HG3 . 30368 1 631 . 1 1 55 55 PRO HD2 H 1 3.596 0.01 . 1 . . . . A 611 PRO HD2 . 30368 1 632 . 1 1 55 55 PRO HD3 H 1 3.530 0.01 . 1 . . . . A 611 PRO HD3 . 30368 1 633 . 1 1 55 55 PRO C C 13 175.623 0.00 . 1 . . . . A 611 PRO C . 30368 1 634 . 1 1 55 55 PRO CA C 13 63.215 0.07 . 1 . . . . A 611 PRO CA . 30368 1 635 . 1 1 55 55 PRO CB C 13 32.445 0.06 . 1 . . . . A 611 PRO CB . 30368 1 636 . 1 1 55 55 PRO CG C 13 27.038 0.00 . 1 . . . . A 611 PRO CG . 30368 1 637 . 1 1 55 55 PRO CD C 13 49.613 0.00 . 1 . . . . A 611 PRO CD . 30368 1 638 . 1 1 56 56 ASP H H 1 8.119 0.01 . 1 . . . . A 612 ASP H . 30368 1 639 . 1 1 56 56 ASP HA H 1 4.572 0.01 . 1 . . . . A 612 ASP HA . 30368 1 640 . 1 1 56 56 ASP HB2 H 1 2.670 0.02 . 1 . . . . A 612 ASP HB2 . 30368 1 641 . 1 1 56 56 ASP HB3 H 1 2.554 0.02 . 1 . . . . A 612 ASP HB3 . 30368 1 642 . 1 1 56 56 ASP C C 13 175.643 0.02 . 1 . . . . A 612 ASP C . 30368 1 643 . 1 1 56 56 ASP CA C 13 55.735 0.01 . 1 . . . . A 612 ASP CA . 30368 1 644 . 1 1 56 56 ASP CB C 13 41.508 0.11 . 1 . . . . A 612 ASP CB . 30368 1 645 . 1 1 56 56 ASP N N 15 115.892 0.14 . 1 . . . . A 612 ASP N . 30368 1 646 . 1 1 57 57 GLU H H 1 7.603 0.00 . 1 . . . . A 613 GLU H . 30368 1 647 . 1 1 57 57 GLU HA H 1 4.874 0.00 . 1 . . . . A 613 GLU HA . 30368 1 648 . 1 1 57 57 GLU HB2 H 1 1.912 0.01 . 1 . . . . A 613 GLU HB2 . 30368 1 649 . 1 1 57 57 GLU HB3 H 1 1.792 0.01 . 1 . . . . A 613 GLU HB3 . 30368 1 650 . 1 1 57 57 GLU HG3 H 1 1.957 0.00 . 1 . . . . A 613 GLU HG3 . 30368 1 651 . 1 1 57 57 GLU C C 13 181.693 0.00 . 1 . . . . A 613 GLU C . 30368 1 652 . 1 1 57 57 GLU CA C 13 55.754 0.24 . 1 . . . . A 613 GLU CA . 30368 1 653 . 1 1 57 57 GLU CB C 13 32.179 0.19 . 1 . . . . A 613 GLU CB . 30368 1 654 . 1 1 57 57 GLU CG C 13 36.918 0.00 . 1 . . . . A 613 GLU CG . 30368 1 655 . 1 1 57 57 GLU N N 15 118.542 0.12 . 1 . . . . A 613 GLU N . 30368 1 656 . 1 1 58 58 ILE H H 1 8.889 0.08 . 1 . . . . A 614 ILE H . 30368 1 657 . 1 1 58 58 ILE HA H 1 4.461 0.01 . 1 . . . . A 614 ILE HA . 30368 1 658 . 1 1 58 58 ILE HB H 1 1.762 0.00 . 1 . . . . A 614 ILE HB . 30368 1 659 . 1 1 58 58 ILE HG12 H 1 1.523 0.01 . 1 . . . . A 614 ILE HG12 . 30368 1 660 . 1 1 58 58 ILE HG13 H 1 1.002 0.01 . 1 . . . . A 614 ILE HG13 . 30368 1 661 . 1 1 58 58 ILE HG21 H 1 0.825 0.00 . 1 . . . . A 614 ILE HG21 . 30368 1 662 . 1 1 58 58 ILE HG22 H 1 0.825 0.00 . 1 . . . . A 614 ILE HG22 . 30368 1 663 . 1 1 58 58 ILE HG23 H 1 0.825 0.00 . 1 . . . . A 614 ILE HG23 . 30368 1 664 . 1 1 58 58 ILE HD11 H 1 0.796 0.01 . 1 . . . . A 614 ILE HD11 . 30368 1 665 . 1 1 58 58 ILE HD12 H 1 0.796 0.01 . 1 . . . . A 614 ILE HD12 . 30368 1 666 . 1 1 58 58 ILE HD13 H 1 0.796 0.01 . 1 . . . . A 614 ILE HD13 . 30368 1 667 . 1 1 58 58 ILE C C 13 172.849 0.00 . 1 . . . . A 614 ILE C . 30368 1 668 . 1 1 58 58 ILE CA C 13 59.980 0.24 . 1 . . . . A 614 ILE CA . 30368 1 669 . 1 1 58 58 ILE CB C 13 40.848 0.08 . 1 . . . . A 614 ILE CB . 30368 1 670 . 1 1 58 58 ILE CG1 C 13 27.874 0.07 . 1 . . . . A 614 ILE CG1 . 30368 1 671 . 1 1 58 58 ILE CG2 C 13 16.971 0.07 . 1 . . . . A 614 ILE CG2 . 30368 1 672 . 1 1 58 58 ILE CD1 C 13 14.241 0.08 . 1 . . . . A 614 ILE CD1 . 30368 1 673 . 1 1 58 58 ILE N N 15 125.339 0.17 . 1 . . . . A 614 ILE N . 30368 1 674 . 1 1 59 59 GLU H H 1 8.431 0.01 . 1 . . . . A 615 GLU H . 30368 1 675 . 1 1 59 59 GLU HA H 1 4.989 0.00 . 1 . . . . A 615 GLU HA . 30368 1 676 . 1 1 59 59 GLU HB2 H 1 1.936 0.01 . 1 . . . . A 615 GLU HB2 . 30368 1 677 . 1 1 59 59 GLU HB3 H 1 1.753 0.01 . 1 . . . . A 615 GLU HB3 . 30368 1 678 . 1 1 59 59 GLU HG2 H 1 1.986 0.00 . 1 . . . . A 615 GLU HG2 . 30368 1 679 . 1 1 59 59 GLU HG3 H 1 1.848 0.01 . 1 . . . . A 615 GLU HG3 . 30368 1 680 . 1 1 59 59 GLU C C 13 174.486 0.00 . 1 . . . . A 615 GLU C . 30368 1 681 . 1 1 59 59 GLU CA C 13 55.124 0.00 . 1 . . . . A 615 GLU CA . 30368 1 682 . 1 1 59 59 GLU CB C 13 31.768 0.08 . 1 . . . . A 615 GLU CB . 30368 1 683 . 1 1 59 59 GLU CG C 13 37.320 0.04 . 1 . . . . A 615 GLU CG . 30368 1 684 . 1 1 59 59 GLU N N 15 127.103 0.10 . 1 . . . . A 615 GLU N . 30368 1 685 . 1 1 60 60 ILE H H 1 8.834 0.01 . 1 . . . . A 616 ILE H . 30368 1 686 . 1 1 60 60 ILE HA H 1 4.145 0.01 . 1 . . . . A 616 ILE HA . 30368 1 687 . 1 1 60 60 ILE HB H 1 1.702 0.01 . 1 . . . . A 616 ILE HB . 30368 1 688 . 1 1 60 60 ILE HG12 H 1 1.404 0.01 . 1 . . . . A 616 ILE HG12 . 30368 1 689 . 1 1 60 60 ILE HG13 H 1 0.977 0.01 . 1 . . . . A 616 ILE HG13 . 30368 1 690 . 1 1 60 60 ILE HG21 H 1 0.591 0.02 . 1 . . . . A 616 ILE HG21 . 30368 1 691 . 1 1 60 60 ILE HG22 H 1 0.591 0.02 . 1 . . . . A 616 ILE HG22 . 30368 1 692 . 1 1 60 60 ILE HG23 H 1 0.591 0.02 . 1 . . . . A 616 ILE HG23 . 30368 1 693 . 1 1 60 60 ILE HD11 H 1 0.683 0.01 . 1 . . . . A 616 ILE HD11 . 30368 1 694 . 1 1 60 60 ILE HD12 H 1 0.683 0.01 . 1 . . . . A 616 ILE HD12 . 30368 1 695 . 1 1 60 60 ILE HD13 H 1 0.683 0.01 . 1 . . . . A 616 ILE HD13 . 30368 1 696 . 1 1 60 60 ILE C C 13 173.140 0.00 . 1 . . . . A 616 ILE C . 30368 1 697 . 1 1 60 60 ILE CA C 13 59.593 0.06 . 1 . . . . A 616 ILE CA . 30368 1 698 . 1 1 60 60 ILE CB C 13 39.929 0.07 . 1 . . . . A 616 ILE CB . 30368 1 699 . 1 1 60 60 ILE CG1 C 13 24.834 0.02 . 1 . . . . A 616 ILE CG1 . 30368 1 700 . 1 1 60 60 ILE CG2 C 13 18.365 0.04 . 1 . . . . A 616 ILE CG2 . 30368 1 701 . 1 1 60 60 ILE CD1 C 13 13.642 0.07 . 1 . . . . A 616 ILE CD1 . 30368 1 702 . 1 1 60 60 ILE N N 15 125.536 0.03 . 1 . . . . A 616 ILE N . 30368 1 703 . 1 1 61 61 ASP H H 1 8.799 0.01 . 1 . . . . A 617 ASP H . 30368 1 704 . 1 1 61 61 ASP HA H 1 4.320 0.01 . 1 . . . . A 617 ASP HA . 30368 1 705 . 1 1 61 61 ASP HB2 H 1 2.776 0.01 . 1 . . . . A 617 ASP HB2 . 30368 1 706 . 1 1 61 61 ASP HB3 H 1 2.376 0.01 . 1 . . . . A 617 ASP HB3 . 30368 1 707 . 1 1 61 61 ASP C C 13 177.329 0.00 . 1 . . . . A 617 ASP C . 30368 1 708 . 1 1 61 61 ASP CA C 13 57.665 0.06 . 1 . . . . A 617 ASP CA . 30368 1 709 . 1 1 61 61 ASP CB C 13 41.585 0.03 . 1 . . . . A 617 ASP CB . 30368 1 710 . 1 1 61 61 ASP N N 15 126.257 0.10 . 1 . . . . A 617 ASP N . 30368 1 711 . 1 1 62 62 PHE HA H 1 4.238 0.01 . 1 . . . . A 618 PHE HA . 30368 1 712 . 1 1 62 62 PHE HB2 H 1 3.342 0.01 . 1 . . . . A 618 PHE HB2 . 30368 1 713 . 1 1 62 62 PHE HB3 H 1 3.060 0.01 . 1 . . . . A 618 PHE HB3 . 30368 1 714 . 1 1 62 62 PHE HD1 H 1 7.064 0.01 . 3 . . . . A 618 PHE HD1 . 30368 1 715 . 1 1 62 62 PHE HD2 H 1 7.064 0.01 . 3 . . . . A 618 PHE HD2 . 30368 1 716 . 1 1 62 62 PHE HE1 H 1 7.051 0.00 . 3 . . . . A 618 PHE HE1 . 30368 1 717 . 1 1 62 62 PHE HE2 H 1 7.051 0.00 . 3 . . . . A 618 PHE HE2 . 30368 1 718 . 1 1 62 62 PHE CA C 13 58.786 0.06 . 1 . . . . A 618 PHE CA . 30368 1 719 . 1 1 62 62 PHE CB C 13 37.863 0.13 . 1 . . . . A 618 PHE CB . 30368 1 720 . 1 1 63 63 GLU HA H 1 4.352 0.01 . 1 . . . . A 619 GLU HA . 30368 1 721 . 1 1 63 63 GLU HB2 H 1 2.171 0.01 . 2 . . . . A 619 GLU HB2 . 30368 1 722 . 1 1 63 63 GLU HB3 H 1 2.171 0.01 . 2 . . . . A 619 GLU HB3 . 30368 1 723 . 1 1 63 63 GLU HG2 H 1 2.419 0.01 . 1 . . . . A 619 GLU HG2 . 30368 1 724 . 1 1 63 63 GLU HG3 H 1 2.373 0.00 . 1 . . . . A 619 GLU HG3 . 30368 1 725 . 1 1 63 63 GLU C C 13 177.070 0.00 . 1 . . . . A 619 GLU C . 30368 1 726 . 1 1 63 63 GLU CA C 13 57.723 0.02 . 1 . . . . A 619 GLU CA . 30368 1 727 . 1 1 63 63 GLU CB C 13 29.738 0.05 . 1 . . . . A 619 GLU CB . 30368 1 728 . 1 1 63 63 GLU CG C 13 36.531 0.06 . 1 . . . . A 619 GLU CG . 30368 1 729 . 1 1 64 64 THR H H 1 7.518 0.01 . 1 . . . . A 620 THR H . 30368 1 730 . 1 1 64 64 THR HA H 1 4.459 0.02 . 1 . . . . A 620 THR HA . 30368 1 731 . 1 1 64 64 THR HB H 1 4.420 0.01 . 1 . . . . A 620 THR HB . 30368 1 732 . 1 1 64 64 THR HG21 H 1 1.121 0.00 . 1 . . . . A 620 THR HG21 . 30368 1 733 . 1 1 64 64 THR HG22 H 1 1.121 0.00 . 1 . . . . A 620 THR HG22 . 30368 1 734 . 1 1 64 64 THR HG23 H 1 1.121 0.00 . 1 . . . . A 620 THR HG23 . 30368 1 735 . 1 1 64 64 THR C C 13 174.055 0.00 . 1 . . . . A 620 THR C . 30368 1 736 . 1 1 64 64 THR CA C 13 61.558 0.11 . 1 . . . . A 620 THR CA . 30368 1 737 . 1 1 64 64 THR CB C 13 69.939 0.12 . 1 . . . . A 620 THR CB . 30368 1 738 . 1 1 64 64 THR CG2 C 13 21.645 0.02 . 1 . . . . A 620 THR CG2 . 30368 1 739 . 1 1 64 64 THR N N 15 106.625 0.11 . 1 . . . . A 620 THR N . 30368 1 740 . 1 1 65 65 LEU H H 1 6.733 0.01 . 1 . . . . A 621 LEU H . 30368 1 741 . 1 1 65 65 LEU HA H 1 4.362 0.01 . 1 . . . . A 621 LEU HA . 30368 1 742 . 1 1 65 65 LEU HB2 H 1 1.516 0.01 . 1 . . . . A 621 LEU HB2 . 30368 1 743 . 1 1 65 65 LEU HB3 H 1 1.286 0.01 . 1 . . . . A 621 LEU HB3 . 30368 1 744 . 1 1 65 65 LEU HG H 1 1.843 0.00 . 1 . . . . A 621 LEU HG . 30368 1 745 . 1 1 65 65 LEU HD11 H 1 0.710 0.01 . 1 . . . . A 621 LEU HD11 . 30368 1 746 . 1 1 65 65 LEU HD12 H 1 0.710 0.01 . 1 . . . . A 621 LEU HD12 . 30368 1 747 . 1 1 65 65 LEU HD13 H 1 0.710 0.01 . 1 . . . . A 621 LEU HD13 . 30368 1 748 . 1 1 65 65 LEU HD21 H 1 0.581 0.01 . 1 . . . . A 621 LEU HD21 . 30368 1 749 . 1 1 65 65 LEU HD22 H 1 0.581 0.01 . 1 . . . . A 621 LEU HD22 . 30368 1 750 . 1 1 65 65 LEU HD23 H 1 0.581 0.01 . 1 . . . . A 621 LEU HD23 . 30368 1 751 . 1 1 65 65 LEU C C 13 175.953 0.00 . 1 . . . . A 621 LEU C . 30368 1 752 . 1 1 65 65 LEU CA C 13 54.186 0.19 . 1 . . . . A 621 LEU CA . 30368 1 753 . 1 1 65 65 LEU CB C 13 43.227 0.16 . 1 . . . . A 621 LEU CB . 30368 1 754 . 1 1 65 65 LEU CG C 13 26.540 0.12 . 1 . . . . A 621 LEU CG . 30368 1 755 . 1 1 65 65 LEU CD1 C 13 23.303 0.05 . 1 . . . . A 621 LEU CD1 . 30368 1 756 . 1 1 65 65 LEU CD2 C 13 26.315 0.00 . 1 . . . . A 621 LEU CD2 . 30368 1 757 . 1 1 65 65 LEU N N 15 121.031 0.06 . 1 . . . . A 621 LEU N . 30368 1 758 . 1 1 66 66 LYS H H 1 10.031 0.00 . 1 . . . . A 622 LYS H . 30368 1 759 . 1 1 66 66 LYS HA H 1 4.270 0.01 . 1 . . . . A 622 LYS HA . 30368 1 760 . 1 1 66 66 LYS HB2 H 1 1.909 0.01 . 1 . . . . A 622 LYS HB2 . 30368 1 761 . 1 1 66 66 LYS HB3 H 1 1.769 0.02 . 1 . . . . A 622 LYS HB3 . 30368 1 762 . 1 1 66 66 LYS HG2 H 1 1.702 0.02 . 2 . . . . A 622 LYS HG2 . 30368 1 763 . 1 1 66 66 LYS HG3 H 1 1.702 0.02 . 2 . . . . A 622 LYS HG3 . 30368 1 764 . 1 1 66 66 LYS HD2 H 1 1.347 0.01 . 1 . . . . A 622 LYS HD2 . 30368 1 765 . 1 1 66 66 LYS HD3 H 1 1.347 0.01 . 1 . . . . A 622 LYS HD3 . 30368 1 766 . 1 1 66 66 LYS HE2 H 1 3.159 0.01 . 2 . . . . A 622 LYS HE2 . 30368 1 767 . 1 1 66 66 LYS HE3 H 1 3.159 0.01 . 2 . . . . A 622 LYS HE3 . 30368 1 768 . 1 1 66 66 LYS C C 13 176.385 0.00 . 1 . . . . A 622 LYS C . 30368 1 769 . 1 1 66 66 LYS CA C 13 55.859 0.04 . 1 . . . . A 622 LYS CA . 30368 1 770 . 1 1 66 66 LYS CB C 13 32.666 0.11 . 1 . . . . A 622 LYS CB . 30368 1 771 . 1 1 66 66 LYS CG C 13 26.185 0.00 . 1 . . . . A 622 LYS CG . 30368 1 772 . 1 1 66 66 LYS CD C 13 28.919 0.00 . 1 . . . . A 622 LYS CD . 30368 1 773 . 1 1 66 66 LYS CE C 13 42.927 0.00 . 1 . . . . A 622 LYS CE . 30368 1 774 . 1 1 66 66 LYS N N 15 123.877 0.09 . 1 . . . . A 622 LYS N . 30368 1 775 . 1 1 67 67 PRO HA H 1 4.155 0.00 . 1 . . . . A 623 PRO HA . 30368 1 776 . 1 1 67 67 PRO HB2 H 1 2.159 0.01 . 1 . . . . A 623 PRO HB2 . 30368 1 777 . 1 1 67 67 PRO HB3 H 1 1.964 0.01 . 1 . . . . A 623 PRO HB3 . 30368 1 778 . 1 1 67 67 PRO CA C 13 66.358 0.00 . 1 . . . . A 623 PRO CA . 30368 1 779 . 1 1 67 67 PRO CB C 13 32.517 0.03 . 1 . . . . A 623 PRO CB . 30368 1 780 . 1 1 68 68 THR H H 1 7.751 0.01 . 1 . . . . A 624 THR H . 30368 1 781 . 1 1 68 68 THR HA H 1 3.965 0.01 . 1 . . . . A 624 THR HA . 30368 1 782 . 1 1 68 68 THR HB H 1 4.191 0.01 . 1 . . . . A 624 THR HB . 30368 1 783 . 1 1 68 68 THR HG21 H 1 1.267 0.01 . 1 . . . . A 624 THR HG21 . 30368 1 784 . 1 1 68 68 THR HG22 H 1 1.267 0.01 . 1 . . . . A 624 THR HG22 . 30368 1 785 . 1 1 68 68 THR HG23 H 1 1.267 0.01 . 1 . . . . A 624 THR HG23 . 30368 1 786 . 1 1 68 68 THR C C 13 176.732 0.00 . 1 . . . . A 624 THR C . 30368 1 787 . 1 1 68 68 THR CA C 13 64.849 0.05 . 1 . . . . A 624 THR CA . 30368 1 788 . 1 1 68 68 THR CB C 13 68.409 0.05 . 1 . . . . A 624 THR CB . 30368 1 789 . 1 1 68 68 THR CG2 C 13 22.935 0.05 . 1 . . . . A 624 THR CG2 . 30368 1 790 . 1 1 68 68 THR N N 15 105.764 0.09 . 1 . . . . A 624 THR N . 30368 1 791 . 1 1 69 69 THR H H 1 7.291 0.00 . 1 . . . . A 625 THR H . 30368 1 792 . 1 1 69 69 THR HA H 1 3.726 0.01 . 1 . . . . A 625 THR HA . 30368 1 793 . 1 1 69 69 THR HB H 1 4.423 0.00 . 1 . . . . A 625 THR HB . 30368 1 794 . 1 1 69 69 THR HG21 H 1 1.127 0.00 . 1 . . . . A 625 THR HG21 . 30368 1 795 . 1 1 69 69 THR HG22 H 1 1.127 0.00 . 1 . . . . A 625 THR HG22 . 30368 1 796 . 1 1 69 69 THR HG23 H 1 1.127 0.00 . 1 . . . . A 625 THR HG23 . 30368 1 797 . 1 1 69 69 THR C C 13 175.380 0.00 . 1 . . . . A 625 THR C . 30368 1 798 . 1 1 69 69 THR CA C 13 66.246 0.06 . 1 . . . . A 625 THR CA . 30368 1 799 . 1 1 69 69 THR CB C 13 67.656 0.05 . 1 . . . . A 625 THR CB . 30368 1 800 . 1 1 69 69 THR CG2 C 13 24.332 0.08 . 1 . . . . A 625 THR CG2 . 30368 1 801 . 1 1 69 69 THR N N 15 121.253 0.07 . 1 . . . . A 625 THR N . 30368 1 802 . 1 1 70 70 LEU H H 1 7.691 0.00 . 1 . . . . A 626 LEU H . 30368 1 803 . 1 1 70 70 LEU HA H 1 3.654 0.01 . 1 . . . . A 626 LEU HA . 30368 1 804 . 1 1 70 70 LEU HB2 H 1 1.867 0.01 . 1 . . . . A 626 LEU HB2 . 30368 1 805 . 1 1 70 70 LEU HB3 H 1 1.534 0.01 . 1 . . . . A 626 LEU HB3 . 30368 1 806 . 1 1 70 70 LEU HG H 1 1.709 0.01 . 1 . . . . A 626 LEU HG . 30368 1 807 . 1 1 70 70 LEU HD11 H 1 0.809 0.01 . 1 . . . . A 626 LEU HD11 . 30368 1 808 . 1 1 70 70 LEU HD12 H 1 0.809 0.01 . 1 . . . . A 626 LEU HD12 . 30368 1 809 . 1 1 70 70 LEU HD13 H 1 0.809 0.01 . 1 . . . . A 626 LEU HD13 . 30368 1 810 . 1 1 70 70 LEU HD21 H 1 0.597 0.00 . 1 . . . . A 626 LEU HD21 . 30368 1 811 . 1 1 70 70 LEU HD22 H 1 0.597 0.00 . 1 . . . . A 626 LEU HD22 . 30368 1 812 . 1 1 70 70 LEU HD23 H 1 0.597 0.00 . 1 . . . . A 626 LEU HD23 . 30368 1 813 . 1 1 70 70 LEU C C 13 178.082 0.00 . 1 . . . . A 626 LEU C . 30368 1 814 . 1 1 70 70 LEU CA C 13 58.791 0.02 . 1 . . . . A 626 LEU CA . 30368 1 815 . 1 1 70 70 LEU CB C 13 41.219 0.11 . 1 . . . . A 626 LEU CB . 30368 1 816 . 1 1 70 70 LEU CG C 13 26.372 0.06 . 1 . . . . A 626 LEU CG . 30368 1 817 . 1 1 70 70 LEU CD1 C 13 24.086 0.00 . 1 . . . . A 626 LEU CD1 . 30368 1 818 . 1 1 70 70 LEU N N 15 120.320 0.11 . 1 . . . . A 626 LEU N . 30368 1 819 . 1 1 71 71 ARG H H 1 8.067 0.01 . 1 . . . . A 627 ARG H . 30368 1 820 . 1 1 71 71 ARG HA H 1 4.090 0.02 . 1 . . . . A 627 ARG HA . 30368 1 821 . 1 1 71 71 ARG HB2 H 1 2.076 0.03 . 1 . . . . A 627 ARG HB2 . 30368 1 822 . 1 1 71 71 ARG HB3 H 1 1.925 0.02 . 1 . . . . A 627 ARG HB3 . 30368 1 823 . 1 1 71 71 ARG HG2 H 1 1.601 0.01 . 2 . . . . A 627 ARG HG2 . 30368 1 824 . 1 1 71 71 ARG HG3 H 1 1.601 0.01 . 2 . . . . A 627 ARG HG3 . 30368 1 825 . 1 1 71 71 ARG HD2 H 1 3.152 0.01 . 2 . . . . A 627 ARG HD2 . 30368 1 826 . 1 1 71 71 ARG HD3 H 1 3.152 0.01 . 2 . . . . A 627 ARG HD3 . 30368 1 827 . 1 1 71 71 ARG C C 13 178.183 0.00 . 1 . . . . A 627 ARG C . 30368 1 828 . 1 1 71 71 ARG CA C 13 57.769 0.04 . 1 . . . . A 627 ARG CA . 30368 1 829 . 1 1 71 71 ARG CB C 13 29.321 0.06 . 1 . . . . A 627 ARG CB . 30368 1 830 . 1 1 71 71 ARG CG C 13 27.204 0.00 . 1 . . . . A 627 ARG CG . 30368 1 831 . 1 1 71 71 ARG CD C 13 42.940 0.00 . 1 . . . . A 627 ARG CD . 30368 1 832 . 1 1 71 71 ARG N N 15 115.848 0.08 . 1 . . . . A 627 ARG N . 30368 1 833 . 1 1 72 72 GLU H H 1 7.917 0.01 . 1 . . . . A 628 GLU H . 30368 1 834 . 1 1 72 72 GLU HA H 1 4.146 0.01 . 1 . . . . A 628 GLU HA . 30368 1 835 . 1 1 72 72 GLU HB2 H 1 2.083 0.02 . 1 . . . . A 628 GLU HB2 . 30368 1 836 . 1 1 72 72 GLU HB3 H 1 1.976 0.01 . 1 . . . . A 628 GLU HB3 . 30368 1 837 . 1 1 72 72 GLU HG2 H 1 2.310 0.01 . 1 . . . . A 628 GLU HG2 . 30368 1 838 . 1 1 72 72 GLU HG3 H 1 2.216 0.02 . 1 . . . . A 628 GLU HG3 . 30368 1 839 . 1 1 72 72 GLU C C 13 179.005 0.00 . 1 . . . . A 628 GLU C . 30368 1 840 . 1 1 72 72 GLU CA C 13 59.825 0.11 . 1 . . . . A 628 GLU CA . 30368 1 841 . 1 1 72 72 GLU CB C 13 29.033 0.09 . 1 . . . . A 628 GLU CB . 30368 1 842 . 1 1 72 72 GLU CG C 13 35.878 0.00 . 1 . . . . A 628 GLU CG . 30368 1 843 . 1 1 72 72 GLU N N 15 122.807 0.08 . 1 . . . . A 628 GLU N . 30368 1 844 . 1 1 73 73 LEU H H 1 8.386 0.00 . 1 . . . . A 629 LEU H . 30368 1 845 . 1 1 73 73 LEU HA H 1 4.083 0.01 . 1 . . . . A 629 LEU HA . 30368 1 846 . 1 1 73 73 LEU HB2 H 1 2.144 0.01 . 1 . . . . A 629 LEU HB2 . 30368 1 847 . 1 1 73 73 LEU HB3 H 1 1.363 0.01 . 1 . . . . A 629 LEU HB3 . 30368 1 848 . 1 1 73 73 LEU HG H 1 1.848 0.01 . 1 . . . . A 629 LEU HG . 30368 1 849 . 1 1 73 73 LEU HD11 H 1 0.924 0.01 . 1 . . . . A 629 LEU HD11 . 30368 1 850 . 1 1 73 73 LEU HD12 H 1 0.924 0.01 . 1 . . . . A 629 LEU HD12 . 30368 1 851 . 1 1 73 73 LEU HD13 H 1 0.924 0.01 . 1 . . . . A 629 LEU HD13 . 30368 1 852 . 1 1 73 73 LEU HD21 H 1 0.745 0.01 . 1 . . . . A 629 LEU HD21 . 30368 1 853 . 1 1 73 73 LEU HD22 H 1 0.745 0.01 . 1 . . . . A 629 LEU HD22 . 30368 1 854 . 1 1 73 73 LEU HD23 H 1 0.745 0.01 . 1 . . . . A 629 LEU HD23 . 30368 1 855 . 1 1 73 73 LEU C C 13 177.099 0.02 . 1 . . . . A 629 LEU C . 30368 1 856 . 1 1 73 73 LEU CA C 13 58.389 0.05 . 1 . . . . A 629 LEU CA . 30368 1 857 . 1 1 73 73 LEU CB C 13 43.126 0.04 . 1 . . . . A 629 LEU CB . 30368 1 858 . 1 1 73 73 LEU CG C 13 26.335 0.11 . 1 . . . . A 629 LEU CG . 30368 1 859 . 1 1 73 73 LEU CD1 C 13 25.153 0.03 . 1 . . . . A 629 LEU CD1 . 30368 1 860 . 1 1 73 73 LEU CD2 C 13 25.427 0.03 . 1 . . . . A 629 LEU CD2 . 30368 1 861 . 1 1 73 73 LEU N N 15 120.037 0.08 . 1 . . . . A 629 LEU N . 30368 1 862 . 1 1 74 74 GLU H H 1 8.522 0.01 . 1 . . . . A 630 GLU H . 30368 1 863 . 1 1 74 74 GLU HA H 1 3.763 0.01 . 1 . . . . A 630 GLU HA . 30368 1 864 . 1 1 74 74 GLU HB2 H 1 2.366 0.00 . 1 . . . . A 630 GLU HB2 . 30368 1 865 . 1 1 74 74 GLU HB3 H 1 1.901 0.01 . 1 . . . . A 630 GLU HB3 . 30368 1 866 . 1 1 74 74 GLU HG2 H 1 2.198 0.01 . 1 . . . . A 630 GLU HG2 . 30368 1 867 . 1 1 74 74 GLU HG3 H 1 2.041 0.02 . 1 . . . . A 630 GLU HG3 . 30368 1 868 . 1 1 74 74 GLU C C 13 177.358 0.01 . 1 . . . . A 630 GLU C . 30368 1 869 . 1 1 74 74 GLU CA C 13 60.111 0.02 . 1 . . . . A 630 GLU CA . 30368 1 870 . 1 1 74 74 GLU CB C 13 30.760 0.08 . 1 . . . . A 630 GLU CB . 30368 1 871 . 1 1 74 74 GLU CG C 13 36.116 0.00 . 1 . . . . A 630 GLU CG . 30368 1 872 . 1 1 74 74 GLU N N 15 120.344 0.11 . 1 . . . . A 630 GLU N . 30368 1 873 . 1 1 75 75 ARG H H 1 8.036 0.01 . 1 . . . . A 631 ARG H . 30368 1 874 . 1 1 75 75 ARG HA H 1 3.955 0.01 . 1 . . . . A 631 ARG HA . 30368 1 875 . 1 1 75 75 ARG HB2 H 1 2.009 0.01 . 1 . . . . A 631 ARG HB2 . 30368 1 876 . 1 1 75 75 ARG HB3 H 1 1.895 0.01 . 1 . . . . A 631 ARG HB3 . 30368 1 877 . 1 1 75 75 ARG HG2 H 1 1.572 0.01 . 2 . . . . A 631 ARG HG2 . 30368 1 878 . 1 1 75 75 ARG HG3 H 1 1.572 0.01 . 2 . . . . A 631 ARG HG3 . 30368 1 879 . 1 1 75 75 ARG HD2 H 1 3.294 0.01 . 1 . . . . A 631 ARG HD2 . 30368 1 880 . 1 1 75 75 ARG HD3 H 1 3.185 0.01 . 1 . . . . A 631 ARG HD3 . 30368 1 881 . 1 1 75 75 ARG C C 13 178.716 0.01 . 1 . . . . A 631 ARG C . 30368 1 882 . 1 1 75 75 ARG CA C 13 60.188 0.02 . 1 . . . . A 631 ARG CA . 30368 1 883 . 1 1 75 75 ARG CB C 13 30.617 0.12 . 1 . . . . A 631 ARG CB . 30368 1 884 . 1 1 75 75 ARG CG C 13 27.472 0.00 . 1 . . . . A 631 ARG CG . 30368 1 885 . 1 1 75 75 ARG CD C 13 43.543 0.00 . 1 . . . . A 631 ARG CD . 30368 1 886 . 1 1 75 75 ARG N N 15 118.678 0.09 . 1 . . . . A 631 ARG N . 30368 1 887 . 1 1 76 76 TYR H H 1 8.125 0.00 . 1 . . . . A 632 TYR H . 30368 1 888 . 1 1 76 76 TYR HA H 1 4.311 0.01 . 1 . . . . A 632 TYR HA . 30368 1 889 . 1 1 76 76 TYR HB2 H 1 3.312 0.01 . 1 . . . . A 632 TYR HB2 . 30368 1 890 . 1 1 76 76 TYR HB3 H 1 2.909 0.01 . 1 . . . . A 632 TYR HB3 . 30368 1 891 . 1 1 76 76 TYR HD1 H 1 6.895 0.00 . 3 . . . . A 632 TYR HD1 . 30368 1 892 . 1 1 76 76 TYR HD2 H 1 6.895 0.00 . 3 . . . . A 632 TYR HD2 . 30368 1 893 . 1 1 76 76 TYR HE1 H 1 6.685 0.00 . 3 . . . . A 632 TYR HE1 . 30368 1 894 . 1 1 76 76 TYR HE2 H 1 6.685 0.00 . 3 . . . . A 632 TYR HE2 . 30368 1 895 . 1 1 76 76 TYR C C 13 178.141 0.00 . 1 . . . . A 632 TYR C . 30368 1 896 . 1 1 76 76 TYR CA C 13 61.639 0.01 . 1 . . . . A 632 TYR CA . 30368 1 897 . 1 1 76 76 TYR CB C 13 38.339 0.13 . 1 . . . . A 632 TYR CB . 30368 1 898 . 1 1 76 76 TYR N N 15 120.774 0.08 . 1 . . . . A 632 TYR N . 30368 1 899 . 1 1 77 77 VAL H H 1 9.078 0.00 . 1 . . . . A 633 VAL H . 30368 1 900 . 1 1 77 77 VAL HA H 1 3.161 0.01 . 1 . . . . A 633 VAL HA . 30368 1 901 . 1 1 77 77 VAL HB H 1 2.101 0.01 . 1 . . . . A 633 VAL HB . 30368 1 902 . 1 1 77 77 VAL HG11 H 1 1.085 0.01 . 1 . . . . A 633 VAL HG11 . 30368 1 903 . 1 1 77 77 VAL HG12 H 1 1.085 0.01 . 1 . . . . A 633 VAL HG12 . 30368 1 904 . 1 1 77 77 VAL HG13 H 1 1.085 0.01 . 1 . . . . A 633 VAL HG13 . 30368 1 905 . 1 1 77 77 VAL HG21 H 1 0.898 0.01 . 1 . . . . A 633 VAL HG21 . 30368 1 906 . 1 1 77 77 VAL HG22 H 1 0.898 0.01 . 1 . . . . A 633 VAL HG22 . 30368 1 907 . 1 1 77 77 VAL HG23 H 1 0.898 0.01 . 1 . . . . A 633 VAL HG23 . 30368 1 908 . 1 1 77 77 VAL C C 13 177.202 0.02 . 1 . . . . A 633 VAL C . 30368 1 909 . 1 1 77 77 VAL CA C 13 67.593 0.12 . 1 . . . . A 633 VAL CA . 30368 1 910 . 1 1 77 77 VAL CB C 13 31.664 0.12 . 1 . . . . A 633 VAL CB . 30368 1 911 . 1 1 77 77 VAL CG1 C 13 23.798 0.04 . 1 . . . . A 633 VAL CG1 . 30368 1 912 . 1 1 77 77 VAL CG2 C 13 22.177 0.00 . 1 . . . . A 633 VAL CG2 . 30368 1 913 . 1 1 77 77 VAL N N 15 121.502 0.09 . 1 . . . . A 633 VAL N . 30368 1 914 . 1 1 78 78 LYS H H 1 8.200 0.01 . 1 . . . . A 634 LYS H . 30368 1 915 . 1 1 78 78 LYS HA H 1 4.152 0.01 . 1 . . . . A 634 LYS HA . 30368 1 916 . 1 1 78 78 LYS HB2 H 1 2.167 0.01 . 1 . . . . A 634 LYS HB2 . 30368 1 917 . 1 1 78 78 LYS HB3 H 1 1.986 0.01 . 1 . . . . A 634 LYS HB3 . 30368 1 918 . 1 1 78 78 LYS HG2 H 1 1.407 0.02 . 1 . . . . A 634 LYS HG2 . 30368 1 919 . 1 1 78 78 LYS HG3 H 1 0.960 0.01 . 1 . . . . A 634 LYS HG3 . 30368 1 920 . 1 1 78 78 LYS C C 13 178.519 0.00 . 1 . . . . A 634 LYS C . 30368 1 921 . 1 1 78 78 LYS CA C 13 60.239 0.03 . 1 . . . . A 634 LYS CA . 30368 1 922 . 1 1 78 78 LYS CB C 13 32.332 0.04 . 1 . . . . A 634 LYS CB . 30368 1 923 . 1 1 78 78 LYS CG C 13 26.593 0.00 . 1 . . . . A 634 LYS CG . 30368 1 924 . 1 1 78 78 LYS N N 15 118.781 0.07 . 1 . . . . A 634 LYS N . 30368 1 925 . 1 1 79 79 SER H H 1 7.613 0.00 . 1 . . . . A 635 SER H . 30368 1 926 . 1 1 79 79 SER HA H 1 4.252 0.01 . 1 . . . . A 635 SER HA . 30368 1 927 . 1 1 79 79 SER HB2 H 1 3.991 0.01 . 2 . . . . A 635 SER HB2 . 30368 1 928 . 1 1 79 79 SER HB3 H 1 3.991 0.01 . 2 . . . . A 635 SER HB3 . 30368 1 929 . 1 1 79 79 SER C C 13 175.451 0.00 . 1 . . . . A 635 SER C . 30368 1 930 . 1 1 79 79 SER CA C 13 61.228 0.15 . 1 . . . . A 635 SER CA . 30368 1 931 . 1 1 79 79 SER CB C 13 62.987 0.25 . 1 . . . . A 635 SER CB . 30368 1 932 . 1 1 79 79 SER N N 15 114.053 0.08 . 1 . . . . A 635 SER N . 30368 1 933 . 1 1 80 80 CYS H H 1 7.481 0.01 . 1 . . . . A 636 CYS H . 30368 1 934 . 1 1 80 80 CYS HA H 1 4.168 0.01 . 1 . . . . A 636 CYS HA . 30368 1 935 . 1 1 80 80 CYS HB2 H 1 2.862 0.01 . 1 . . . . A 636 CYS HB2 . 30368 1 936 . 1 1 80 80 CYS HB3 H 1 2.399 0.01 . 1 . . . . A 636 CYS HB3 . 30368 1 937 . 1 1 80 80 CYS C C 13 175.491 0.00 . 1 . . . . A 636 CYS C . 30368 1 938 . 1 1 80 80 CYS CA C 13 62.090 0.12 . 1 . . . . A 636 CYS CA . 30368 1 939 . 1 1 80 80 CYS CB C 13 28.128 0.12 . 1 . . . . A 636 CYS CB . 30368 1 940 . 1 1 80 80 CYS N N 15 118.618 0.07 . 1 . . . . A 636 CYS N . 30368 1 941 . 1 1 81 81 LEU H H 1 7.599 0.01 . 1 . . . . A 637 LEU H . 30368 1 942 . 1 1 81 81 LEU HA H 1 4.280 0.01 . 1 . . . . A 637 LEU HA . 30368 1 943 . 1 1 81 81 LEU HB2 H 1 1.624 0.01 . 1 . . . . A 637 LEU HB2 . 30368 1 944 . 1 1 81 81 LEU HB3 H 1 1.489 0.02 . 1 . . . . A 637 LEU HB3 . 30368 1 945 . 1 1 81 81 LEU HG H 1 1.585 0.01 . 1 . . . . A 637 LEU HG . 30368 1 946 . 1 1 81 81 LEU HD11 H 1 0.740 0.01 . 1 . . . . A 637 LEU HD11 . 30368 1 947 . 1 1 81 81 LEU HD12 H 1 0.740 0.01 . 1 . . . . A 637 LEU HD12 . 30368 1 948 . 1 1 81 81 LEU HD13 H 1 0.740 0.01 . 1 . . . . A 637 LEU HD13 . 30368 1 949 . 1 1 81 81 LEU HD21 H 1 0.708 0.01 . 1 . . . . A 637 LEU HD21 . 30368 1 950 . 1 1 81 81 LEU HD22 H 1 0.708 0.01 . 1 . . . . A 637 LEU HD22 . 30368 1 951 . 1 1 81 81 LEU HD23 H 1 0.708 0.01 . 1 . . . . A 637 LEU HD23 . 30368 1 952 . 1 1 81 81 LEU C C 13 176.473 0.01 . 1 . . . . A 637 LEU C . 30368 1 953 . 1 1 81 81 LEU CA C 13 55.606 0.02 . 1 . . . . A 637 LEU CA . 30368 1 954 . 1 1 81 81 LEU CB C 13 42.560 0.05 . 1 . . . . A 637 LEU CB . 30368 1 955 . 1 1 81 81 LEU CG C 13 26.693 0.00 . 1 . . . . A 637 LEU CG . 30368 1 956 . 1 1 81 81 LEU CD1 C 13 25.553 0.07 . 1 . . . . A 637 LEU CD1 . 30368 1 957 . 1 1 81 81 LEU CD2 C 13 22.723 0.11 . 1 . . . . A 637 LEU CD2 . 30368 1 958 . 1 1 81 81 LEU N N 15 119.119 0.08 . 1 . . . . A 637 LEU N . 30368 1 959 . 1 1 82 82 GLN H H 1 7.803 0.00 . 1 . . . . A 638 GLN H . 30368 1 960 . 1 1 82 82 GLN HA H 1 4.198 0.02 . 1 . . . . A 638 GLN HA . 30368 1 961 . 1 1 82 82 GLN HB2 H 1 2.030 0.01 . 1 . . . . A 638 GLN HB2 . 30368 1 962 . 1 1 82 82 GLN HB3 H 1 1.916 0.01 . 1 . . . . A 638 GLN HB3 . 30368 1 963 . 1 1 82 82 GLN HG2 H 1 2.338 0.01 . 2 . . . . A 638 GLN HG2 . 30368 1 964 . 1 1 82 82 GLN HG3 H 1 2.338 0.01 . 2 . . . . A 638 GLN HG3 . 30368 1 965 . 1 1 82 82 GLN HE21 H 1 7.528 0.00 . 1 . . . . A 638 GLN HE21 . 30368 1 966 . 1 1 82 82 GLN HE22 H 1 6.807 0.00 . 1 . . . . A 638 GLN HE22 . 30368 1 967 . 1 1 82 82 GLN C C 13 175.284 0.01 . 1 . . . . A 638 GLN C . 30368 1 968 . 1 1 82 82 GLN CA C 13 56.553 0.02 . 1 . . . . A 638 GLN CA . 30368 1 969 . 1 1 82 82 GLN CB C 13 29.086 0.06 . 1 . . . . A 638 GLN CB . 30368 1 970 . 1 1 82 82 GLN CG C 13 33.846 0.00 . 1 . . . . A 638 GLN CG . 30368 1 971 . 1 1 82 82 GLN N N 15 119.333 0.08 . 1 . . . . A 638 GLN N . 30368 1 972 . 1 1 82 82 GLN NE2 N 15 111.511 0.00 . 1 . . . . A 638 GLN NE2 . 30368 1 973 . 1 1 83 83 LYS H H 1 8.163 0.01 . 1 . . . . A 639 LYS H . 30368 1 974 . 1 1 83 83 LYS HA H 1 4.251 0.01 . 1 . . . . A 639 LYS HA . 30368 1 975 . 1 1 83 83 LYS HB2 H 1 1.797 0.01 . 1 . . . . A 639 LYS HB2 . 30368 1 976 . 1 1 83 83 LYS HB3 H 1 1.705 0.03 . 1 . . . . A 639 LYS HB3 . 30368 1 977 . 1 1 83 83 LYS HG2 H 1 1.413 0.02 . 1 . . . . A 639 LYS HG2 . 30368 1 978 . 1 1 83 83 LYS HG3 H 1 1.372 0.01 . 1 . . . . A 639 LYS HG3 . 30368 1 979 . 1 1 83 83 LYS HD2 H 1 1.640 0.01 . 2 . . . . A 639 LYS HD2 . 30368 1 980 . 1 1 83 83 LYS HD3 H 1 1.640 0.01 . 2 . . . . A 639 LYS HD3 . 30368 1 981 . 1 1 83 83 LYS HE2 H 1 2.954 0.01 . 1 . . . . A 639 LYS HE2 . 30368 1 982 . 1 1 83 83 LYS HE3 H 1 2.954 0.01 . 1 . . . . A 639 LYS HE3 . 30368 1 983 . 1 1 83 83 LYS C C 13 175.870 0.00 . 1 . . . . A 639 LYS C . 30368 1 984 . 1 1 83 83 LYS CA C 13 56.700 0.02 . 1 . . . . A 639 LYS CA . 30368 1 985 . 1 1 83 83 LYS CB C 13 32.947 0.07 . 1 . . . . A 639 LYS CB . 30368 1 986 . 1 1 83 83 LYS CG C 13 24.861 0.04 . 1 . . . . A 639 LYS CG . 30368 1 987 . 1 1 83 83 LYS CD C 13 29.081 0.00 . 1 . . . . A 639 LYS CD . 30368 1 988 . 1 1 83 83 LYS CE C 13 42.184 0.00 . 1 . . . . A 639 LYS CE . 30368 1 989 . 1 1 83 83 LYS N N 15 122.107 0.08 . 1 . . . . A 639 LYS N . 30368 1 990 . 1 1 84 84 LYS H H 1 8.258 0.01 . 1 . . . . A 640 LYS H . 30368 1 991 . 1 1 84 84 LYS HA H 1 4.198 0.02 . 1 . . . . A 640 LYS HA . 30368 1 992 . 1 1 84 84 LYS HB2 H 1 1.798 0.01 . 1 . . . . A 640 LYS HB2 . 30368 1 993 . 1 1 84 84 LYS HB3 H 1 1.694 0.01 . 1 . . . . A 640 LYS HB3 . 30368 1 994 . 1 1 84 84 LYS C C 13 175.678 0.00 . 1 . . . . A 640 LYS C . 30368 1 995 . 1 1 84 84 LYS CA C 13 56.635 0.06 . 1 . . . . A 640 LYS CA . 30368 1 996 . 1 1 84 84 LYS CB C 13 33.150 0.00 . 1 . . . . A 640 LYS CB . 30368 1 997 . 1 1 84 84 LYS N N 15 122.448 0.12 . 1 . . . . A 640 LYS N . 30368 1 998 . 1 1 86 86 ARG HA H 1 4.273 0.01 . 1 . . . . A 642 ARG HA . 30368 1 999 . 1 1 86 86 ARG HB2 H 1 1.783 0.02 . 1 . . . . A 642 ARG HB2 . 30368 1 1000 . 1 1 86 86 ARG HB3 H 1 1.712 0.01 . 1 . . . . A 642 ARG HB3 . 30368 1 1001 . 1 1 86 86 ARG HG2 H 1 1.557 0.01 . 2 . . . . A 642 ARG HG2 . 30368 1 1002 . 1 1 86 86 ARG HG3 H 1 1.557 0.01 . 2 . . . . A 642 ARG HG3 . 30368 1 1003 . 1 1 86 86 ARG HD2 H 1 3.139 0.01 . 2 . . . . A 642 ARG HD2 . 30368 1 1004 . 1 1 86 86 ARG HD3 H 1 3.139 0.01 . 2 . . . . A 642 ARG HD3 . 30368 1 1005 . 1 1 86 86 ARG C C 13 174.129 0.00 . 1 . . . . A 642 ARG C . 30368 1 1006 . 1 1 86 86 ARG CA C 13 56.386 0.11 . 1 . . . . A 642 ARG CA . 30368 1 1007 . 1 1 86 86 ARG CB C 13 31.049 0.10 . 1 . . . . A 642 ARG CB . 30368 1 1008 . 1 1 86 86 ARG CG C 13 26.854 0.00 . 1 . . . . A 642 ARG CG . 30368 1 1009 . 1 1 86 86 ARG CD C 13 43.412 0.00 . 1 . . . . A 642 ARG CD . 30368 1 1010 . 1 1 87 87 LYS H H 1 8.042 0.00 . 1 . . . . A 643 LYS H . 30368 1 1011 . 1 1 87 87 LYS C C 13 181.485 0.00 . 1 . . . . A 643 LYS C . 30368 1 1012 . 1 1 87 87 LYS CA C 13 53.920 0.04 . 1 . . . . A 643 LYS CA . 30368 1 1013 . 1 1 87 87 LYS CB C 13 34.657 0.00 . 1 . . . . A 643 LYS CB . 30368 1 1014 . 1 1 87 87 LYS N N 15 122.646 0.09 . 1 . . . . A 643 LYS N . 30368 1 1015 . 2 2 1 1 ARG H H 1 8.244 0.00 . 1 . . . . B 1591 ARG H1 . 30368 1 1016 . 2 2 1 1 ARG HA H 1 4.341 0.00 . 1 . . . . B 1591 ARG HA . 30368 1 1017 . 2 2 1 1 ARG HB2 H 1 1.826 0.03 . 2 . . . . B 1591 ARG HB2 . 30368 1 1018 . 2 2 1 1 ARG HB3 H 1 1.826 0.03 . 2 . . . . B 1591 ARG HB3 . 30368 1 1019 . 2 2 1 1 ARG HG2 H 1 1.719 0.00 . 1 . . . . B 1591 ARG HG2 . 30368 1 1020 . 2 2 1 1 ARG HG3 H 1 1.626 0.00 . 1 . . . . B 1591 ARG HG3 . 30368 1 1021 . 2 2 1 1 ARG HD2 H 1 3.175 0.00 . 1 . . . . B 1591 ARG HD2 . 30368 1 1022 . 2 2 1 1 ARG HD3 H 1 2.755 0.00 . 1 . . . . B 1591 ARG HD3 . 30368 1 1023 . 2 2 2 2 SER H H 1 7.998 0.01 . 1 . . . . B 1592 SER H . 30368 1 1024 . 2 2 2 2 SER HA H 1 4.244 0.00 . 1 . . . . B 1592 SER HA . 30368 1 1025 . 2 2 2 2 SER HB2 H 1 3.810 0.00 . 1 . . . . B 1592 SER HB2 . 30368 1 1026 . 2 2 3 3 VAL H H 1 8.126 0.00 . 1 . . . . B 1593 VAL H . 30368 1 1027 . 2 2 3 3 VAL HA H 1 4.142 0.00 . 1 . . . . B 1593 VAL HA . 30368 1 1028 . 2 2 3 3 VAL HB H 1 2.086 0.00 . 1 . . . . B 1593 VAL HB . 30368 1 1029 . 2 2 3 3 VAL HG11 H 1 0.900 0.01 . 1 . . . . B 1593 VAL HG11 . 30368 1 1030 . 2 2 3 3 VAL HG12 H 1 0.900 0.01 . 1 . . . . B 1593 VAL HG12 . 30368 1 1031 . 2 2 3 3 VAL HG13 H 1 0.900 0.01 . 1 . . . . B 1593 VAL HG13 . 30368 1 1032 . 2 2 4 4 LYS H H 1 7.917 0.00 . 1 . . . . B 1594 LYS H . 30368 1 1033 . 2 2 4 4 LYS HA H 1 3.819 0.01 . 1 . . . . B 1594 LYS HA . 30368 1 1034 . 2 2 5 5 VAL H H 1 8.520 0.00 . 1 . . . . B 1595 VAL H . 30368 1 1035 . 2 2 5 5 VAL HA H 1 4.150 0.01 . 1 . . . . B 1595 VAL HA . 30368 1 1036 . 2 2 5 5 VAL HB H 1 1.947 0.01 . 1 . . . . B 1595 VAL HB . 30368 1 1037 . 2 2 5 5 VAL HG11 H 1 0.841 0.01 . 1 . . . . B 1595 VAL HG11 . 30368 1 1038 . 2 2 5 5 VAL HG12 H 1 0.841 0.01 . 1 . . . . B 1595 VAL HG12 . 30368 1 1039 . 2 2 5 5 VAL HG13 H 1 0.841 0.01 . 1 . . . . B 1595 VAL HG13 . 30368 1 1040 . 2 2 5 5 VAL HG21 H 1 0.757 0.02 . 1 . . . . B 1595 VAL HG21 . 30368 1 1041 . 2 2 5 5 VAL HG22 H 1 0.757 0.02 . 1 . . . . B 1595 VAL HG22 . 30368 1 1042 . 2 2 5 5 VAL HG23 H 1 0.757 0.02 . 1 . . . . B 1595 VAL HG23 . 30368 1 1043 . 2 2 6 6 LYS H H 1 8.163 0.01 . 1 . . . . B 1596 LYS H . 30368 1 1044 . 2 2 6 6 LYS HA H 1 4.294 0.01 . 1 . . . . B 1596 LYS HA . 30368 1 1045 . 2 2 6 6 LYS HB2 H 1 1.732 0.01 . 2 . . . . B 1596 LYS HB2 . 30368 1 1046 . 2 2 6 6 LYS HB3 H 1 1.732 0.01 . 2 . . . . B 1596 LYS HB3 . 30368 1 1047 . 2 2 6 6 LYS HG2 H 1 1.536 0.00 . 2 . . . . B 1596 LYS HG2 . 30368 1 1048 . 2 2 6 6 LYS HG3 H 1 1.536 0.00 . 2 . . . . B 1596 LYS HG3 . 30368 1 1049 . 2 2 6 6 LYS HD2 H 1 1.604 0.01 . 2 . . . . B 1596 LYS HD2 . 30368 1 1050 . 2 2 6 6 LYS HD3 H 1 1.604 0.01 . 2 . . . . B 1596 LYS HD3 . 30368 1 1051 . 2 2 7 7 ILE H H 1 7.612 0.00 . 1 . . . . B 1597 ILE H . 30368 1 1052 . 2 2 7 7 ILE HA H 1 4.339 0.01 . 1 . . . . B 1597 ILE HA . 30368 1 1053 . 2 2 7 7 ILE HB H 1 1.870 0.01 . 1 . . . . B 1597 ILE HB . 30368 1 1054 . 2 2 7 7 ILE HG12 H 1 1.369 0.01 . 1 . . . . B 1597 ILE HG12 . 30368 1 1055 . 2 2 7 7 ILE HG13 H 1 0.983 0.00 . 1 . . . . B 1597 ILE HG13 . 30368 1 1056 . 2 2 7 7 ILE HG21 H 1 0.765 0.02 . 1 . . . . B 1597 ILE HG21 . 30368 1 1057 . 2 2 7 7 ILE HG22 H 1 0.765 0.02 . 1 . . . . B 1597 ILE HG22 . 30368 1 1058 . 2 2 7 7 ILE HG23 H 1 0.765 0.02 . 1 . . . . B 1597 ILE HG23 . 30368 1 1059 . 2 2 7 7 ILE HD11 H 1 0.684 0.01 . 1 . . . . B 1597 ILE HD11 . 30368 1 1060 . 2 2 7 7 ILE HD12 H 1 0.684 0.01 . 1 . . . . B 1597 ILE HD12 . 30368 1 1061 . 2 2 7 7 ILE HD13 H 1 0.684 0.01 . 1 . . . . B 1597 ILE HD13 . 30368 1 1062 . 2 2 8 8 LYS H H 1 8.404 0.01 . 1 . . . . B 1598 LYS H . 30368 1 1063 . 2 2 8 8 LYS HA H 1 4.367 0.01 . 1 . . . . B 1598 LYS HA . 30368 1 1064 . 2 2 8 8 LYS HB3 H 1 1.776 0.00 . 1 . . . . B 1598 LYS HB3 . 30368 1 1065 . 2 2 8 8 LYS HG2 H 1 1.368 0.00 . 1 . . . . B 1598 LYS HG2 . 30368 1 1066 . 2 2 8 8 LYS HG3 H 1 1.244 0.04 . 1 . . . . B 1598 LYS HG3 . 30368 1 1067 . 2 2 8 8 LYS HD2 H 1 1.637 0.01 . 2 . . . . B 1598 LYS HD2 . 30368 1 1068 . 2 2 8 8 LYS HD3 H 1 1.637 0.01 . 2 . . . . B 1598 LYS HD3 . 30368 1 1069 . 2 2 8 8 LYS HE2 H 1 2.859 0.02 . 2 . . . . B 1598 LYS HE2 . 30368 1 1070 . 2 2 8 8 LYS HE3 H 1 2.859 0.02 . 2 . . . . B 1598 LYS HE3 . 30368 1 1071 . 2 2 9 9 LEU H H 1 8.359 0.01 . 1 . . . . B 1599 LEU H . 30368 1 1072 . 2 2 9 9 LEU HA H 1 4.386 0.01 . 1 . . . . B 1599 LEU HA . 30368 1 1073 . 2 2 9 9 LEU HB2 H 1 1.884 0.04 . 1 . . . . B 1599 LEU HB2 . 30368 1 1074 . 2 2 9 9 LEU HB3 H 1 1.630 0.01 . 1 . . . . B 1599 LEU HB3 . 30368 1 1075 . 2 2 9 9 LEU HG H 1 1.553 0.01 . 1 . . . . B 1599 LEU HG . 30368 1 1076 . 2 2 9 9 LEU HD11 H 1 0.811 0.01 . 1 . . . . B 1599 LEU HD11 . 30368 1 1077 . 2 2 9 9 LEU HD12 H 1 0.811 0.01 . 1 . . . . B 1599 LEU HD12 . 30368 1 1078 . 2 2 9 9 LEU HD13 H 1 0.811 0.01 . 1 . . . . B 1599 LEU HD13 . 30368 1 1079 . 2 2 9 9 LEU HD21 H 1 0.724 0.01 . 1 . . . . B 1599 LEU HD21 . 30368 1 1080 . 2 2 9 9 LEU HD22 H 1 0.724 0.01 . 1 . . . . B 1599 LEU HD22 . 30368 1 1081 . 2 2 9 9 LEU HD23 H 1 0.724 0.01 . 1 . . . . B 1599 LEU HD23 . 30368 1 1082 . 2 2 10 10 GLY H H 1 7.783 0.00 . 1 . . . . B 1600 GLY H . 30368 1 1083 . 2 2 10 10 GLY HA2 H 1 3.793 0.00 . 1 . . . . B 1600 GLY HA2 . 30368 1 1084 . 2 2 10 10 GLY HA3 H 1 3.673 0.00 . 1 . . . . B 1600 GLY HA3 . 30368 1 1085 . 2 2 11 11 ARG H H 1 8.029 0.00 . 1 . . . . B 1601 ARG H . 30368 1 1086 . 2 2 11 11 ARG HA H 1 4.486 0.01 . 1 . . . . B 1601 ARG HA . 30368 1 1087 . 2 2 11 11 ARG HB2 H 1 1.408 0.02 . 1 . . . . B 1601 ARG HB2 . 30368 1 1088 . 2 2 11 11 ARG HB3 H 1 1.286 0.00 . 1 . . . . B 1601 ARG HB3 . 30368 1 1089 . 2 2 11 11 ARG HG2 H 1 1.696 0.00 . 1 . . . . B 1601 ARG HG2 . 30368 1 1090 . 2 2 11 11 ARG HG3 H 1 1.615 0.00 . 1 . . . . B 1601 ARG HG3 . 30368 1 1091 . 2 2 12 12 LYS H H 1 7.880 0.00 . 1 . . . . B 1602 LYS H . 30368 1 1092 . 2 2 12 12 LYS HA H 1 4.117 0.01 . 1 . . . . B 1602 LYS HA . 30368 1 1093 . 2 2 12 12 LYS HB2 H 1 1.761 0.01 . 2 . . . . B 1602 LYS HB2 . 30368 1 1094 . 2 2 12 12 LYS HB3 H 1 1.761 0.01 . 2 . . . . B 1602 LYS HB3 . 30368 1 1095 . 2 2 12 12 LYS HG2 H 1 1.352 0.00 . 2 . . . . B 1602 LYS HG2 . 30368 1 1096 . 2 2 12 12 LYS HG3 H 1 1.352 0.00 . 2 . . . . B 1602 LYS HG3 . 30368 1 1097 . 2 2 12 12 LYS HD2 H 1 1.663 0.01 . 2 . . . . B 1602 LYS HD2 . 30368 1 1098 . 2 2 12 12 LYS HD3 H 1 1.663 0.01 . 2 . . . . B 1602 LYS HD3 . 30368 1 1099 . 2 2 12 12 LYS HE2 H 1 2.634 0.00 . 1 . . . . B 1602 LYS HE2 . 30368 1 1100 . 2 2 12 12 LYS HE3 H 1 2.515 0.00 . 1 . . . . B 1602 LYS HE3 . 30368 1 stop_ save_