data_15814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15814 _Entry.Title ; 1H, 13C and 15N resonance assignments of the domain 5 of ABP-120 from Dictyostelium in native and 8M urea-denatured states. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-22 _Entry.Accession_date 2008-06-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Shang-Te Danny' Hsu . . . 15814 2 Lisa Cabrita . D. . 15814 3 John Christodoulou . . . 15814 4 Christopher Dobson . M. . 15814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 688 15814 '15N chemical shifts' 192 15814 '1H chemical shifts' 819 15814 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 4 . . 2009-08-21 2008-06-22 update BMRB 'add PubMed ID' 15814 3 . . 2009-05-22 2008-06-22 update BMRB 'complete entry citation' 15814 2 . . 2009-02-02 2008-06-22 update author 'Update chemical shifts' 15814 1 . . 2009-01-06 2008-06-22 original author 'original release' 15814 stop_ save_ ############### # Citations # ############### save_Entry _Citation.Sf_category citations _Citation.Sf_framecode Entry _Citation.Entry_ID 15814 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636940 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C assignments of domain 5 of Dictyostelium discoideum gelation factor (ABP-120) in its native and 8M urea-denatured states' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 29 _Citation.Page_last 31 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Shang-Te Danny' Hsu . . . 15814 1 2 Lisa Cabrita . D. . 15814 1 3 John Christodoulou . . . 15814 1 4 Christopher Dobson . M. . 15814 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15814 _Assembly.ID 1 _Assembly.Name 'Domain 5 of Dictyostelium ABP-120' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11372 _Assembly.Enzyme_commission_number . _Assembly.Details '8M urea denatured monomer' _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 'Domain 5 of ABP-120' 1 $Domain_5_of_Dictyostelium_ABP-120 A . yes denatured no no . . . 15814 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QFH . . X-ray 2.2 . . 15814 1 yes PDB 1WLH . . X-ray 2.8 . . 15814 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Actin binding protein' 15814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Domain_5_of_Dictyostelium_ABP-120 _Entity.Sf_category entity _Entity.Sf_framecode Domain_5_of_Dictyostelium_ABP-120 _Entity.Entry_ID 15814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Domain_5_of_Dictyostelium_ABP-120 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTVKPAPSAEHSYAEGEGLV KVFDNAPAEFTIFAVDTKGV ARTDGGDPFEVAINGPDGLV VDAKVTDNNDGTYGVVYDAP VEGNYNVNVTLRGNPIKNMP IDVKCIEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence numbering 2-108 listed here correspond to sequence numbering 644-750 in the full length of Dictyostelium ABP-120' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . PDB 1WLH . 'Dictyostelium ABP-120' . . . . . . . . . . . . . . 15814 1 . . PDB 1QFH . 'Dictyostelium ABP-120' . . . . . . . . . . . . . . 15814 1 . . EMBL P13466 . 'Dictyostelium ABP-120' . . . . . . . . . . . . . . 15814 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Actin binding protein' 15814 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 -1 MET . 15814 1 2 644 THR . 15814 1 3 645 VAL . 15814 1 4 646 LYS . 15814 1 5 647 PRO . 15814 1 6 648 ALA . 15814 1 7 649 PRO . 15814 1 8 650 SER . 15814 1 9 651 ALA . 15814 1 10 652 GLU . 15814 1 11 653 HIS . 15814 1 12 654 SER . 15814 1 13 655 TYR . 15814 1 14 656 ALA . 15814 1 15 657 GLU . 15814 1 16 658 GLY . 15814 1 17 659 GLU . 15814 1 18 660 GLY . 15814 1 19 661 LEU . 15814 1 20 662 VAL . 15814 1 21 663 LYS . 15814 1 22 664 VAL . 15814 1 23 665 PHE . 15814 1 24 666 ASP . 15814 1 25 667 ASN . 15814 1 26 668 ALA . 15814 1 27 669 PRO . 15814 1 28 670 ALA . 15814 1 29 671 GLU . 15814 1 30 672 PHE . 15814 1 31 673 THR . 15814 1 32 674 ILE . 15814 1 33 675 PHE . 15814 1 34 676 ALA . 15814 1 35 677 VAL . 15814 1 36 678 ASP . 15814 1 37 679 THR . 15814 1 38 680 LYS . 15814 1 39 681 GLY . 15814 1 40 682 VAL . 15814 1 41 683 ALA . 15814 1 42 684 ARG . 15814 1 43 685 THR . 15814 1 44 686 ASP . 15814 1 45 687 GLY . 15814 1 46 688 GLY . 15814 1 47 689 ASP . 15814 1 48 690 PRO . 15814 1 49 691 PHE . 15814 1 50 692 GLU . 15814 1 51 693 VAL . 15814 1 52 694 ALA . 15814 1 53 695 ILE . 15814 1 54 696 ASN . 15814 1 55 697 GLY . 15814 1 56 698 PRO . 15814 1 57 699 ASP . 15814 1 58 700 GLY . 15814 1 59 701 LEU . 15814 1 60 702 VAL . 15814 1 61 703 VAL . 15814 1 62 704 ASP . 15814 1 63 705 ALA . 15814 1 64 706 LYS . 15814 1 65 707 VAL . 15814 1 66 708 THR . 15814 1 67 709 ASP . 15814 1 68 710 ASN . 15814 1 69 711 ASN . 15814 1 70 712 ASP . 15814 1 71 713 GLY . 15814 1 72 714 THR . 15814 1 73 715 TYR . 15814 1 74 716 GLY . 15814 1 75 717 VAL . 15814 1 76 718 VAL . 15814 1 77 719 TYR . 15814 1 78 720 ASP . 15814 1 79 721 ALA . 15814 1 80 722 PRO . 15814 1 81 723 VAL . 15814 1 82 724 GLU . 15814 1 83 725 GLY . 15814 1 84 726 ASN . 15814 1 85 727 TYR . 15814 1 86 728 ASN . 15814 1 87 729 VAL . 15814 1 88 730 ASN . 15814 1 89 731 VAL . 15814 1 90 732 THR . 15814 1 91 733 LEU . 15814 1 92 734 ARG . 15814 1 93 735 GLY . 15814 1 94 736 ASN . 15814 1 95 737 PRO . 15814 1 96 738 ILE . 15814 1 97 739 LYS . 15814 1 98 740 ASN . 15814 1 99 741 MET . 15814 1 100 742 PRO . 15814 1 101 743 ILE . 15814 1 102 744 ASP . 15814 1 103 745 VAL . 15814 1 104 746 LYS . 15814 1 105 747 CYS . 15814 1 106 748 ILE . 15814 1 107 749 GLU . 15814 1 108 750 GLY . 15814 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 . MET 1 1 15814 1 . THR 2 2 15814 1 . VAL 3 3 15814 1 . LYS 4 4 15814 1 . PRO 5 5 15814 1 . ALA 6 6 15814 1 . PRO 7 7 15814 1 . SER 8 8 15814 1 . ALA 9 9 15814 1 . GLU 10 10 15814 1 . HIS 11 11 15814 1 . SER 12 12 15814 1 . TYR 13 13 15814 1 . ALA 14 14 15814 1 . GLU 15 15 15814 1 . GLY 16 16 15814 1 . GLU 17 17 15814 1 . GLY 18 18 15814 1 . LEU 19 19 15814 1 . VAL 20 20 15814 1 . LYS 21 21 15814 1 . VAL 22 22 15814 1 . PHE 23 23 15814 1 . ASP 24 24 15814 1 . ASN 25 25 15814 1 . ALA 26 26 15814 1 . PRO 27 27 15814 1 . ALA 28 28 15814 1 . GLU 29 29 15814 1 . PHE 30 30 15814 1 . THR 31 31 15814 1 . ILE 32 32 15814 1 . PHE 33 33 15814 1 . ALA 34 34 15814 1 . VAL 35 35 15814 1 . ASP 36 36 15814 1 . THR 37 37 15814 1 . LYS 38 38 15814 1 . GLY 39 39 15814 1 . VAL 40 40 15814 1 . ALA 41 41 15814 1 . ARG 42 42 15814 1 . THR 43 43 15814 1 . ASP 44 44 15814 1 . GLY 45 45 15814 1 . GLY 46 46 15814 1 . ASP 47 47 15814 1 . PRO 48 48 15814 1 . PHE 49 49 15814 1 . GLU 50 50 15814 1 . VAL 51 51 15814 1 . ALA 52 52 15814 1 . ILE 53 53 15814 1 . ASN 54 54 15814 1 . GLY 55 55 15814 1 . PRO 56 56 15814 1 . ASP 57 57 15814 1 . GLY 58 58 15814 1 . LEU 59 59 15814 1 . VAL 60 60 15814 1 . VAL 61 61 15814 1 . ASP 62 62 15814 1 . ALA 63 63 15814 1 . LYS 64 64 15814 1 . VAL 65 65 15814 1 . THR 66 66 15814 1 . ASP 67 67 15814 1 . ASN 68 68 15814 1 . ASN 69 69 15814 1 . ASP 70 70 15814 1 . GLY 71 71 15814 1 . THR 72 72 15814 1 . TYR 73 73 15814 1 . GLY 74 74 15814 1 . VAL 75 75 15814 1 . VAL 76 76 15814 1 . TYR 77 77 15814 1 . ASP 78 78 15814 1 . ALA 79 79 15814 1 . PRO 80 80 15814 1 . VAL 81 81 15814 1 . GLU 82 82 15814 1 . GLY 83 83 15814 1 . ASN 84 84 15814 1 . TYR 85 85 15814 1 . ASN 86 86 15814 1 . VAL 87 87 15814 1 . ASN 88 88 15814 1 . VAL 89 89 15814 1 . THR 90 90 15814 1 . LEU 91 91 15814 1 . ARG 92 92 15814 1 . GLY 93 93 15814 1 . ASN 94 94 15814 1 . PRO 95 95 15814 1 . ILE 96 96 15814 1 . LYS 97 97 15814 1 . ASN 98 98 15814 1 . MET 99 99 15814 1 . PRO 100 100 15814 1 . ILE 101 101 15814 1 . ASP 102 102 15814 1 . VAL 103 103 15814 1 . LYS 104 104 15814 1 . CYS 105 105 15814 1 . ILE 106 106 15814 1 . GLU 107 107 15814 1 . GLY 108 108 15814 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15814 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Domain_5_of_Dictyostelium_ABP-120 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15814 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 15814 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Domain_5_of_Dictyostelium_ABP-120 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . N/A . . . . . . 15814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15814 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Domain 5 of ABP in binding buffer (10mM Hepes (pH 7.6), 140mM NH4Cl, 6mM MgCl2, 0.005mM spermine, 2mM spermidine, 2mM DTT) and 8M urea' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Domain 5 of Dictyostelium ABP-120' '[U-98% 13C; U-98% 15N]' . . 1 $Domain_5_of_Dictyostelium_ABP-120 . . 0.4 . . mM . . . . 15814 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15814 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15814 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15814 1 5 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 15814 1 6 urea 'natural abundance' . . . . . . 8 . . M . . . . 15814 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15814 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Domain 5 of Dictyostelium ABP-120' '[U-98% 13C; U-98% 15N]' . . 1 $Domain_5_of_Dictyostelium_ABP-120 . . 0.4 . . mM . . . . 15814 2 2 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 15814 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15814 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15814 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15814 2 stop_ save_ ####################### # Sample conditions # ####################### save_298K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 298K _Sample_condition_list.Entry_ID 15814 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.14 . M 15814 1 pH 7.6 . pH 15814 1 pressure 1 . atm 15814 1 temperature 298 . K 15814 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15814 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15814 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15814 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15814 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15814 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15814 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryo TXI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15814 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Cryo TCI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15814 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'Cryo TXI' . . 15814 1 2 spectrometer_2 Bruker Avance . 500 'Cryo TCI' . . 15814 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 15814 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 7 (H)N(COCA)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 12 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 14 (H)N(COCA)NH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 17 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 18 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15814 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15814 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 15814 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 15814 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15814 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $298K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15814 1 2 '3D HNCO' . . . 15814 1 3 '3D HNCACB' . . . 15814 1 4 '3D CBCA(CO)NH' . . . 15814 1 5 '3D HN(CA)CO' . . . 15814 1 6 '3D 1H-15N TOCSY' . . . 15814 1 7 (H)N(COCA)NH . . . 15814 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15814 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 VAL H H 1 8.154 . . 1 . . . . 3 VAL HN . 15814 1 2 . 1 1 3 3 VAL C C 13 175.4 . . 1 . . . . 3 VAL C . 15814 1 3 . 1 1 3 3 VAL CB C 13 33.13 . . 1 . . . . 3 VAL CB . 15814 1 4 . 1 1 3 3 VAL N N 15 121.8 . . 1 . . . . 3 VAL N . 15814 1 5 . 1 1 4 4 LYS H H 1 8.567 . . 1 . . . . 4 LYS HN . 15814 1 6 . 1 1 4 4 LYS HA H 1 4.683 . . 1 . . . . 4 LYS HA . 15814 1 7 . 1 1 4 4 LYS C C 13 174.3 . . 1 . . . . 4 LYS C . 15814 1 8 . 1 1 4 4 LYS CA C 13 54.51 . . 1 . . . . 4 LYS CA . 15814 1 9 . 1 1 4 4 LYS N N 15 127.0 . . 1 . . . . 4 LYS N . 15814 1 10 . 1 1 5 5 PRO C C 13 176.2 . . 1 . . . . 5 PRO C . 15814 1 11 . 1 1 5 5 PRO CA C 13 63.01 . . 1 . . . . 5 PRO CA . 15814 1 12 . 1 1 5 5 PRO CB C 13 32.33 . . 1 . . . . 5 PRO CB . 15814 1 13 . 1 1 6 6 ALA H H 1 8.503 . . 1 . . . . 6 ALA HN . 15814 1 14 . 1 1 6 6 ALA HA H 1 4.623 . . 1 . . . . 6 ALA HA . 15814 1 15 . 1 1 6 6 ALA C C 13 175.6 . . 1 . . . . 6 ALA C . 15814 1 16 . 1 1 6 6 ALA CA C 13 50.75 . . 1 . . . . 6 ALA CA . 15814 1 17 . 1 1 6 6 ALA CB C 13 18.04 . . 1 . . . . 6 ALA CB . 15814 1 18 . 1 1 6 6 ALA N N 15 125.7 . . 1 . . . . 6 ALA N . 15814 1 19 . 1 1 7 7 PRO C C 13 176.9 . . 1 . . . . 7 PRO C . 15814 1 20 . 1 1 7 7 PRO CA C 13 63.36 . . 1 . . . . 7 PRO CA . 15814 1 21 . 1 1 7 7 PRO CB C 13 32.21 . . 1 . . . . 7 PRO CB . 15814 1 22 . 1 1 8 8 SER H H 1 8.440 . . 1 . . . . 8 SER HN . 15814 1 23 . 1 1 8 8 SER HA H 1 4.509 . . 1 . . . . 8 SER HA . 15814 1 24 . 1 1 8 8 SER C C 13 174.5 . . 1 . . . . 8 SER C . 15814 1 25 . 1 1 8 8 SER CA C 13 58.38 . . 1 . . . . 8 SER CA . 15814 1 26 . 1 1 8 8 SER CB C 13 64.33 . . 1 . . . . 8 SER CB . 15814 1 27 . 1 1 8 8 SER N N 15 115.9 . . 1 . . . . 8 SER N . 15814 1 28 . 1 1 9 9 ALA H H 1 8.490 . . 1 . . . . 9 ALA HN . 15814 1 29 . 1 1 9 9 ALA HA H 1 4.380 . . 1 . . . . 9 ALA HA . 15814 1 30 . 1 1 9 9 ALA C C 13 177.6 . . 1 . . . . 9 ALA C . 15814 1 31 . 1 1 9 9 ALA CA C 13 52.98 . . 1 . . . . 9 ALA CA . 15814 1 32 . 1 1 9 9 ALA CB C 13 19.45 . . 1 . . . . 9 ALA CB . 15814 1 33 . 1 1 9 9 ALA N N 15 126.1 . . 1 . . . . 9 ALA N . 15814 1 34 . 1 1 10 10 GLU H H 1 8.440 . . 1 . . . . 10 GLU HN . 15814 1 35 . 1 1 10 10 GLU HA H 1 4.260 . . 1 . . . . 10 GLU HA . 15814 1 36 . 1 1 10 10 GLU C C 13 176.3 . . 1 . . . . 10 GLU C . 15814 1 37 . 1 1 10 10 GLU CA C 13 57.01 . . 1 . . . . 10 GLU CA . 15814 1 38 . 1 1 10 10 GLU CB C 13 30.46 . . 1 . . . . 10 GLU CB . 15814 1 39 . 1 1 10 10 GLU N N 15 119.7 . . 1 . . . . 10 GLU N . 15814 1 40 . 1 1 11 11 HIS H H 1 8.270 . . 1 . . . . 11 HIS HN . 15814 1 41 . 1 1 11 11 HIS HA H 1 4.789 . . 1 . . . . 11 HIS HA . 15814 1 42 . 1 1 11 11 HIS C C 13 175.2 . . 1 . . . . 11 HIS C . 15814 1 43 . 1 1 11 11 HIS CA C 13 56.43 . . 1 . . . . 11 HIS CA . 15814 1 44 . 1 1 11 11 HIS CB C 13 31.16 . . 1 . . . . 11 HIS CB . 15814 1 45 . 1 1 11 11 HIS N N 15 120.1 . . 1 . . . . 11 HIS N . 15814 1 46 . 1 1 12 12 SER H H 1 8.295 . . 1 . . . . 12 SER HN . 15814 1 47 . 1 1 12 12 SER HA H 1 4.508 . . 1 . . . . 12 SER HA . 15814 1 48 . 1 1 12 12 SER CA C 13 58.17 . . 1 . . . . 12 SER CA . 15814 1 49 . 1 1 12 12 SER CB C 13 64.25 . . 1 . . . . 12 SER CB . 15814 1 50 . 1 1 12 12 SER N N 15 117.1 . . 1 . . . . 12 SER N . 15814 1 51 . 1 1 13 13 TYR H H 1 8.403 . . 1 . . . . 13 TYR HN . 15814 1 52 . 1 1 13 13 TYR HA H 1 4.683 . . 1 . . . . 13 TYR HA . 15814 1 53 . 1 1 13 13 TYR C C 13 175.5 . . 1 . . . . 13 TYR C . 15814 1 54 . 1 1 13 13 TYR CA C 13 57.99 . . 1 . . . . 13 TYR CA . 15814 1 55 . 1 1 13 13 TYR CB C 13 39.1 . . 1 . . . . 13 TYR CB . 15814 1 56 . 1 1 13 13 TYR N N 15 122.6 . . 1 . . . . 13 TYR N . 15814 1 57 . 1 1 14 14 ALA H H 1 8.368 . . 1 . . . . 14 ALA HN . 15814 1 58 . 1 1 14 14 ALA HA H 1 4.421 . . 1 . . . . 14 ALA HA . 15814 1 59 . 1 1 14 14 ALA C C 13 177.3 . . 1 . . . . 14 ALA C . 15814 1 60 . 1 1 14 14 ALA CA C 13 52.55 . . 1 . . . . 14 ALA CA . 15814 1 61 . 1 1 14 14 ALA CB C 13 19.59 . . 1 . . . . 14 ALA CB . 15814 1 62 . 1 1 14 14 ALA N N 15 125.7 . . 1 . . . . 14 ALA N . 15814 1 63 . 1 1 15 15 GLU H H 1 8.426 . . 1 . . . . 15 GLU HN . 15814 1 64 . 1 1 15 15 GLU HA H 1 4.334 . . 1 . . . . 15 GLU HA . 15814 1 65 . 1 1 15 15 GLU C C 13 177.1 . . 1 . . . . 15 GLU C . 15814 1 66 . 1 1 15 15 GLU CA C 13 57.19 . . 1 . . . . 15 GLU CA . 15814 1 67 . 1 1 15 15 GLU CB C 13 30.53 . . 1 . . . . 15 GLU CB . 15814 1 68 . 1 1 15 15 GLU N N 15 120.5 . . 1 . . . . 15 GLU N . 15814 1 69 . 1 1 16 16 GLY H H 1 8.469 . . 1 . . . . 16 GLY HN . 15814 1 70 . 1 1 16 16 GLY HA2 H 1 4.054 . . 2 . . . . 16 GLY HA . 15814 1 71 . 1 1 16 16 GLY HA3 H 1 4.054 . . 2 . . . . 16 GLY HA . 15814 1 72 . 1 1 16 16 GLY C C 13 174.1 . . 1 . . . . 16 GLY C . 15814 1 73 . 1 1 16 16 GLY CA C 13 45.52 . . 1 . . . . 16 GLY CA . 15814 1 74 . 1 1 16 16 GLY N N 15 109.9 . . 1 . . . . 16 GLY N . 15814 1 75 . 1 1 17 17 GLU H H 1 8.359 . . 1 . . . . 17 GLU HN . 15814 1 76 . 1 1 17 17 GLU HA H 1 4.386 . . 1 . . . . 17 GLU HA . 15814 1 77 . 1 1 17 17 GLU C C 13 177.0 . . 1 . . . . 17 GLU C . 15814 1 78 . 1 1 17 17 GLU CA C 13 56.9 . . 1 . . . . 17 GLU CA . 15814 1 79 . 1 1 17 17 GLU CB C 13 30.7 . . 1 . . . . 17 GLU CB . 15814 1 80 . 1 1 17 17 GLU N N 15 120.6 . . 1 . . . . 17 GLU N . 15814 1 81 . 1 1 18 18 GLY H H 1 8.517 . . 1 . . . . 18 GLY HN . 15814 1 82 . 1 1 18 18 GLY HA2 H 1 3.986 . . 2 . . . . 18 GLY HA . 15814 1 83 . 1 1 18 18 GLY HA3 H 1 3.986 . . 2 . . . . 18 GLY HA . 15814 1 84 . 1 1 18 18 GLY C C 13 173.9 . . 1 . . . . 18 GLY C . 15814 1 85 . 1 1 18 18 GLY CA C 13 45.51 . . 1 . . . . 18 GLY CA . 15814 1 86 . 1 1 18 18 GLY N N 15 109.6 . . 1 . . . . 18 GLY N . 15814 1 87 . 1 1 19 19 LEU H H 1 8.098 . . 1 . . . . 19 LEU HN . 15814 1 88 . 1 1 19 19 LEU HA H 1 4.446 . . 1 . . . . 19 LEU HA . 15814 1 89 . 1 1 19 19 LEU C C 13 177.2 . . 1 . . . . 19 LEU C . 15814 1 90 . 1 1 19 19 LEU CA C 13 55.36 . . 1 . . . . 19 LEU CA . 15814 1 91 . 1 1 19 19 LEU CB C 13 42.78 . . 1 . . . . 19 LEU CB . 15814 1 92 . 1 1 19 19 LEU N N 15 121.7 . . 1 . . . . 19 LEU N . 15814 1 93 . 1 1 20 20 VAL H H 1 8.303 . . 1 . . . . 20 VAL HN . 15814 1 94 . 1 1 20 20 VAL HA H 1 4.156 . . 1 . . . . 20 VAL HA . 15814 1 95 . 1 1 20 20 VAL C C 13 175.9 . . 1 . . . . 20 VAL C . 15814 1 96 . 1 1 20 20 VAL CA C 13 62.59 . . 1 . . . . 20 VAL CA . 15814 1 97 . 1 1 20 20 VAL CB C 13 32.93 . . 1 . . . . 20 VAL CB . 15814 1 98 . 1 1 20 20 VAL N N 15 122.0 . . 1 . . . . 20 VAL N . 15814 1 99 . 1 1 21 21 LYS H H 1 8.511 . . 1 . . . . 21 LYS HN . 15814 1 100 . 1 1 21 21 LYS HA H 1 4.388 . . 1 . . . . 21 LYS HA . 15814 1 101 . 1 1 21 21 LYS C C 13 175.9 . . 1 . . . . 21 LYS C . 15814 1 102 . 1 1 21 21 LYS CA C 13 56.36 . . 1 . . . . 21 LYS CA . 15814 1 103 . 1 1 21 21 LYS CB C 13 33.36 . . 1 . . . . 21 LYS CB . 15814 1 104 . 1 1 21 21 LYS N N 15 126.4 . . 1 . . . . 21 LYS N . 15814 1 105 . 1 1 22 22 VAL H H 1 8.226 . . 1 . . . . 22 VAL HN . 15814 1 106 . 1 1 22 22 VAL HA H 1 4.160 . . 1 . . . . 22 VAL HA . 15814 1 107 . 1 1 22 22 VAL C C 13 175.7 . . 1 . . . . 22 VAL C . 15814 1 108 . 1 1 22 22 VAL CA C 13 62.32 . . 1 . . . . 22 VAL CA . 15814 1 109 . 1 1 22 22 VAL N N 15 122.0 . . 1 . . . . 22 VAL N . 15814 1 110 . 1 1 23 23 PHE H H 1 8.518 . . 1 . . . . 23 PHE HN . 15814 1 111 . 1 1 23 23 PHE HA H 1 4.770 . . 1 . . . . 23 PHE HA . 15814 1 112 . 1 1 23 23 PHE C C 13 175.4 . . 1 . . . . 23 PHE C . 15814 1 113 . 1 1 23 23 PHE CA C 13 57.72 . . 1 . . . . 23 PHE CA . 15814 1 114 . 1 1 23 23 PHE CB C 13 40.13 . . 1 . . . . 23 PHE CB . 15814 1 115 . 1 1 23 23 PHE N N 15 124.1 . . 1 . . . . 23 PHE N . 15814 1 116 . 1 1 24 24 ASP H H 1 8.492 . . 1 . . . . 24 ASP HN . 15814 1 117 . 1 1 24 24 ASP C C 13 175.7 . . 1 . . . . 24 ASP C . 15814 1 118 . 1 1 24 24 ASP CA C 13 54.59 . . 1 . . . . 24 ASP CA . 15814 1 119 . 1 1 24 24 ASP CB C 13 41.69 . . 1 . . . . 24 ASP CB . 15814 1 120 . 1 1 24 24 ASP N N 15 122.3 . . 1 . . . . 24 ASP N . 15814 1 121 . 1 1 25 25 ASN H H 1 8.408 . . 1 . . . . 25 ASN HN . 15814 1 122 . 1 1 25 25 ASN HA H 1 4.783 . . 1 . . . . 25 ASN HA . 15814 1 123 . 1 1 25 25 ASN C C 13 174.6 . . 1 . . . . 25 ASN C . 15814 1 124 . 1 1 25 25 ASN CA C 13 53.18 . . 1 . . . . 25 ASN CA . 15814 1 125 . 1 1 25 25 ASN CB C 13 39.29 . . 1 . . . . 25 ASN CB . 15814 1 126 . 1 1 25 25 ASN N N 15 119.2 . . 1 . . . . 25 ASN N . 15814 1 127 . 1 1 26 26 ALA H H 1 8.296 . . 1 . . . . 26 ALA HN . 15814 1 128 . 1 1 26 26 ALA HA H 1 4.627 . . 1 . . . . 26 ALA HA . 15814 1 129 . 1 1 26 26 ALA C C 13 175.2 . . 1 . . . . 26 ALA C . 15814 1 130 . 1 1 26 26 ALA CA C 13 51.05 . . 1 . . . . 26 ALA CA . 15814 1 131 . 1 1 26 26 ALA CB C 13 18.27 . . 1 . . . . 26 ALA CB . 15814 1 132 . 1 1 26 26 ALA N N 15 125.1 . . 1 . . . . 26 ALA N . 15814 1 133 . 1 1 27 27 PRO C C 13 176.6 . . 1 . . . . 27 PRO C . 15814 1 134 . 1 1 27 27 PRO CA C 13 63.17 . . 1 . . . . 27 PRO CA . 15814 1 135 . 1 1 27 27 PRO CB C 13 32.21 . . 1 . . . . 27 PRO CB . 15814 1 136 . 1 1 28 28 ALA H H 1 8.459 . . 1 . . . . 28 ALA HN . 15814 1 137 . 1 1 28 28 ALA HA H 1 4.323 . . 1 . . . . 28 ALA HA . 15814 1 138 . 1 1 28 28 ALA C C 13 177.7 . . 1 . . . . 28 ALA C . 15814 1 139 . 1 1 28 28 ALA CA C 13 52.87 . . 1 . . . . 28 ALA CA . 15814 1 140 . 1 1 28 28 ALA CB C 13 19.38 . . 1 . . . . 28 ALA CB . 15814 1 141 . 1 1 28 28 ALA N N 15 124.6 . . 1 . . . . 28 ALA N . 15814 1 142 . 1 1 29 29 GLU H H 1 8.485 . . 1 . . . . 29 GLU HN . 15814 1 143 . 1 1 29 29 GLU HA H 1 4.297 . . 1 . . . . 29 GLU HA . 15814 1 144 . 1 1 29 29 GLU C C 13 176.1 . . 1 . . . . 29 GLU C . 15814 1 145 . 1 1 29 29 GLU CA C 13 56.82 . . 1 . . . . 29 GLU CA . 15814 1 146 . 1 1 29 29 GLU CB C 13 30.66 . . 1 . . . . 29 GLU CB . 15814 1 147 . 1 1 29 29 GLU N N 15 120.0 . . 1 . . . . 29 GLU N . 15814 1 148 . 1 1 30 30 PHE H H 1 8.270 . . 1 . . . . 30 PHE HN . 15814 1 149 . 1 1 30 30 PHE HA H 1 4.783 . . 1 . . . . 30 PHE HA . 15814 1 150 . 1 1 30 30 PHE C C 13 175.6 . . 1 . . . . 30 PHE C . 15814 1 151 . 1 1 30 30 PHE CA C 13 57.84 . . 1 . . . . 30 PHE CA . 15814 1 152 . 1 1 30 30 PHE CB C 13 39.89 . . 1 . . . . 30 PHE CB . 15814 1 153 . 1 1 30 30 PHE N N 15 120.6 . . 1 . . . . 30 PHE N . 15814 1 154 . 1 1 31 31 THR H H 1 8.246 . . 1 . . . . 31 THR HN . 15814 1 155 . 1 1 31 31 THR HA H 1 4.371 . . 1 . . . . 31 THR HA . 15814 1 156 . 1 1 31 31 THR C C 13 173.8 . . 1 . . . . 31 THR C . 15814 1 157 . 1 1 31 31 THR CA C 13 62.22 . . 1 . . . . 31 THR CA . 15814 1 158 . 1 1 31 31 THR CB C 13 70.33 . . 1 . . . . 31 THR CB . 15814 1 159 . 1 1 31 31 THR N N 15 117.1 . . 1 . . . . 31 THR N . 15814 1 160 . 1 1 32 32 ILE H H 1 8.203 . . 1 . . . . 32 ILE HN . 15814 1 161 . 1 1 32 32 ILE HA H 1 4.197 . . 1 . . . . 32 ILE HA . 15814 1 162 . 1 1 32 32 ILE C C 13 175.7 . . 1 . . . . 32 ILE C . 15814 1 163 . 1 1 32 32 ILE CA C 13 61.26 . . 1 . . . . 32 ILE CA . 15814 1 164 . 1 1 32 32 ILE CB C 13 39.01 . . 1 . . . . 32 ILE CB . 15814 1 165 . 1 1 32 32 ILE N N 15 123.4 . . 1 . . . . 32 ILE N . 15814 1 166 . 1 1 33 33 PHE H H 1 8.380 . . 1 . . . . 33 PHE HN . 15814 1 167 . 1 1 33 33 PHE C C 13 175.2 . . 1 . . . . 33 PHE C . 15814 1 168 . 1 1 33 33 PHE CA C 13 57.72 . . 1 . . . . 33 PHE CA . 15814 1 169 . 1 1 33 33 PHE CB C 13 39.91 . . 1 . . . . 33 PHE CB . 15814 1 170 . 1 1 33 33 PHE N N 15 124.6 . . 1 . . . . 33 PHE N . 15814 1 171 . 1 1 34 34 ALA H H 1 8.373 . . 1 . . . . 34 ALA HN . 15814 1 172 . 1 1 34 34 ALA HA H 1 4.459 . . 1 . . . . 34 ALA HA . 15814 1 173 . 1 1 34 34 ALA C C 13 177.3 . . 1 . . . . 34 ALA C . 15814 1 174 . 1 1 34 34 ALA CA C 13 52.49 . . 1 . . . . 34 ALA CA . 15814 1 175 . 1 1 34 34 ALA N N 15 126.0 . . 1 . . . . 34 ALA N . 15814 1 176 . 1 1 35 35 VAL H H 1 8.195 . . 1 . . . . 35 VAL HN . 15814 1 177 . 1 1 35 35 VAL HA H 1 4.214 . . 1 . . . . 35 VAL HA . 15814 1 178 . 1 1 35 35 VAL C C 13 175.7 . . 1 . . . . 35 VAL C . 15814 1 179 . 1 1 35 35 VAL CA C 13 62.43 . . 1 . . . . 35 VAL CA . 15814 1 180 . 1 1 35 35 VAL CB C 13 33.28 . . 1 . . . . 35 VAL CB . 15814 1 181 . 1 1 35 35 VAL N N 15 119.2 . . 1 . . . . 35 VAL N . 15814 1 182 . 1 1 36 36 ASP H H 1 8.540 . . 1 . . . . 36 ASP HN . 15814 1 183 . 1 1 36 36 ASP HA H 1 4.793 . . 1 . . . . 36 ASP HA . 15814 1 184 . 1 1 36 36 ASP C C 13 176.7 . . 1 . . . . 36 ASP C . 15814 1 185 . 1 1 36 36 ASP CA C 13 54.35 . . 1 . . . . 36 ASP CA . 15814 1 186 . 1 1 36 36 ASP CB C 13 41.68 . . 1 . . . . 36 ASP CB . 15814 1 187 . 1 1 36 36 ASP N N 15 123.9 . . 1 . . . . 36 ASP N . 15814 1 188 . 1 1 37 37 THR H H 1 8.274 . . 1 . . . . 37 THR HN . 15814 1 189 . 1 1 37 37 THR HA H 1 4.407 . . 1 . . . . 37 THR HA . 15814 1 190 . 1 1 37 37 THR C C 13 175.0 . . 1 . . . . 37 THR C . 15814 1 191 . 1 1 37 37 THR CA C 13 62.34 . . 1 . . . . 37 THR CA . 15814 1 192 . 1 1 37 37 THR CB C 13 69.87 . . 1 . . . . 37 THR CB . 15814 1 193 . 1 1 37 37 THR N N 15 114.8 . . 1 . . . . 37 THR N . 15814 1 194 . 1 1 38 38 LYS H H 1 8.448 . . 1 . . . . 38 LYS HN . 15814 1 195 . 1 1 38 38 LYS HA H 1 4.406 . . 1 . . . . 38 LYS HA . 15814 1 196 . 1 1 38 38 LYS C C 13 177.1 . . 1 . . . . 38 LYS C . 15814 1 197 . 1 1 38 38 LYS CA C 13 57.04 . . 1 . . . . 38 LYS CA . 15814 1 198 . 1 1 38 38 LYS CB C 13 33.11 . . 1 . . . . 38 LYS CB . 15814 1 199 . 1 1 38 38 LYS N N 15 123.1 . . 1 . . . . 38 LYS N . 15814 1 200 . 1 1 39 39 GLY H H 1 8.433 . . 1 . . . . 39 GLY HN . 15814 1 201 . 1 1 39 39 GLY HA2 H 1 4.023 . . 2 . . . . 39 GLY HA . 15814 1 202 . 1 1 39 39 GLY HA3 H 1 4.023 . . 2 . . . . 39 GLY HA . 15814 1 203 . 1 1 39 39 GLY C C 13 173.9 . . 1 . . . . 39 GLY C . 15814 1 204 . 1 1 39 39 GLY CA C 13 45.36 . . 1 . . . . 39 GLY CA . 15814 1 205 . 1 1 39 39 GLY N N 15 109.6 . . 1 . . . . 39 GLY N . 15814 1 206 . 1 1 40 40 VAL H H 1 8.067 . . 1 . . . . 40 VAL HN . 15814 1 207 . 1 1 40 40 VAL HA H 1 4.219 . . 1 . . . . 40 VAL HA . 15814 1 208 . 1 1 40 40 VAL C C 13 175.9 . . 1 . . . . 40 VAL C . 15814 1 209 . 1 1 40 40 VAL CA C 13 62.32 . . 1 . . . . 40 VAL CA . 15814 1 210 . 1 1 40 40 VAL CB C 13 33.15 . . 1 . . . . 40 VAL CB . 15814 1 211 . 1 1 40 40 VAL N N 15 119.2 . . 1 . . . . 40 VAL N . 15814 1 212 . 1 1 41 41 ALA H H 1 8.493 . . 1 . . . . 41 ALA HN . 15814 1 213 . 1 1 41 41 ALA HA H 1 4.459 . . 1 . . . . 41 ALA HA . 15814 1 214 . 1 1 41 41 ALA C C 13 177.5 . . 1 . . . . 41 ALA C . 15814 1 215 . 1 1 41 41 ALA CA C 13 52.6 . . 1 . . . . 41 ALA CA . 15814 1 216 . 1 1 41 41 ALA CB C 13 19.43 . . 1 . . . . 41 ALA CB . 15814 1 217 . 1 1 41 41 ALA N N 15 128.1 . . 1 . . . . 41 ALA N . 15814 1 218 . 1 1 42 42 ARG H H 1 8.519 . . 1 . . . . 42 ARG HN . 15814 1 219 . 1 1 42 42 ARG HA H 1 4.546 . . 1 . . . . 42 ARG HA . 15814 1 220 . 1 1 42 42 ARG C C 13 176.8 . . 1 . . . . 42 ARG C . 15814 1 221 . 1 1 42 42 ARG CA C 13 56.32 . . 1 . . . . 42 ARG CA . 15814 1 222 . 1 1 42 42 ARG CB C 13 31.44 . . 1 . . . . 42 ARG CB . 15814 1 223 . 1 1 42 42 ARG N N 15 121.3 . . 1 . . . . 42 ARG N . 15814 1 224 . 1 1 43 43 THR H H 1 8.516 . . 1 . . . . 43 THR HN . 15814 1 225 . 1 1 43 43 THR HA H 1 4.505 . . 1 . . . . 43 THR HA . 15814 1 226 . 1 1 43 43 THR C C 13 174.5 . . 1 . . . . 43 THR C . 15814 1 227 . 1 1 43 43 THR CA C 13 61.78 . . 1 . . . . 43 THR CA . 15814 1 228 . 1 1 43 43 THR CB C 13 70.2 . . 1 . . . . 43 THR CB . 15814 1 229 . 1 1 43 43 THR N N 15 114.8 . . 1 . . . . 43 THR N . 15814 1 230 . 1 1 44 44 ASP H H 1 8.492 . . 1 . . . . 44 ASP HN . 15814 1 231 . 1 1 44 44 ASP HA H 1 4.720 . . 1 . . . . 44 ASP HA . 15814 1 232 . 1 1 44 44 ASP C C 13 176.6 . . 1 . . . . 44 ASP C . 15814 1 233 . 1 1 44 44 ASP CA C 13 54.6 . . 1 . . . . 44 ASP CA . 15814 1 234 . 1 1 44 44 ASP CB C 13 41.6 . . 1 . . . . 44 ASP CB . 15814 1 235 . 1 1 44 44 ASP N N 15 122.3 . . 1 . . . . 44 ASP N . 15814 1 236 . 1 1 45 45 GLY H H 1 8.409 . . 1 . . . . 45 GLY HN . 15814 1 237 . 1 1 45 45 GLY HA2 H 1 4.060 . . 2 . . . . 45 GLY HA . 15814 1 238 . 1 1 45 45 GLY HA3 H 1 4.060 . . 2 . . . . 45 GLY HA . 15814 1 239 . 1 1 45 45 GLY C C 13 174.6 . . 1 . . . . 45 GLY C . 15814 1 240 . 1 1 45 45 GLY CA C 13 45.63 . . 1 . . . . 45 GLY CA . 15814 1 241 . 1 1 45 45 GLY N N 15 109.0 . . 1 . . . . 45 GLY N . 15814 1 242 . 1 1 46 46 GLY H H 1 8.317 . . 1 . . . . 46 GLY HN . 15814 1 243 . 1 1 46 46 GLY HA2 H 1 4.026 . . 2 . . . . 46 GLY HA . 15814 1 244 . 1 1 46 46 GLY HA3 H 1 4.026 . . 2 . . . . 46 GLY HA . 15814 1 245 . 1 1 46 46 GLY C C 13 173.4 . . 1 . . . . 46 GLY C . 15814 1 246 . 1 1 46 46 GLY CA C 13 45.12 . . 1 . . . . 46 GLY CA . 15814 1 247 . 1 1 46 46 GLY N N 15 108.5 . . 1 . . . . 46 GLY N . 15814 1 248 . 1 1 47 47 ASP H H 1 8.422 . . 1 . . . . 47 ASP HN . 15814 1 249 . 1 1 47 47 ASP HA H 1 4.945 . . 1 . . . . 47 ASP HA . 15814 1 250 . 1 1 47 47 ASP C C 13 175.0 . . 1 . . . . 47 ASP C . 15814 1 251 . 1 1 47 47 ASP CA C 13 52.74 . . 1 . . . . 47 ASP CA . 15814 1 252 . 1 1 47 47 ASP CB C 13 41.55 . . 1 . . . . 47 ASP CB . 15814 1 253 . 1 1 47 47 ASP N N 15 121.6 . . 1 . . . . 47 ASP N . 15814 1 254 . 1 1 48 48 PRO C C 13 176.7 . . 1 . . . . 48 PRO C . 15814 1 255 . 1 1 48 48 PRO CA C 13 63.77 . . 1 . . . . 48 PRO CA . 15814 1 256 . 1 1 48 48 PRO CB C 13 32.09 . . 1 . . . . 48 PRO CB . 15814 1 257 . 1 1 49 49 PHE H H 1 8.378 . . 1 . . . . 49 PHE HN . 15814 1 258 . 1 1 49 49 PHE HA H 1 4.685 . . 1 . . . . 49 PHE HA . 15814 1 259 . 1 1 49 49 PHE C C 13 175.7 . . 1 . . . . 49 PHE C . 15814 1 260 . 1 1 49 49 PHE CA C 13 58.03 . . 1 . . . . 49 PHE CA . 15814 1 261 . 1 1 49 49 PHE CB C 13 39.5 . . 1 . . . . 49 PHE CB . 15814 1 262 . 1 1 49 49 PHE N N 15 119.4 . . 1 . . . . 49 PHE N . 15814 1 263 . 1 1 50 50 GLU H H 1 8.178 . . 1 . . . . 50 GLU HN . 15814 1 264 . 1 1 50 50 GLU HA H 1 4.375 . . 1 . . . . 50 GLU HA . 15814 1 265 . 1 1 50 50 GLU C C 13 176.0 . . 1 . . . . 50 GLU C . 15814 1 266 . 1 1 50 50 GLU CA C 13 56.64 . . 1 . . . . 50 GLU CA . 15814 1 267 . 1 1 50 50 GLU CB C 13 30.86 . . 1 . . . . 50 GLU CB . 15814 1 268 . 1 1 50 50 GLU N N 15 122.1 . . 1 . . . . 50 GLU N . 15814 1 269 . 1 1 51 51 VAL H H 1 8.206 . . 1 . . . . 51 VAL HN . 15814 1 270 . 1 1 51 51 VAL HA H 1 4.179 . . 1 . . . . 51 VAL HA . 15814 1 271 . 1 1 51 51 VAL C C 13 175.7 . . 1 . . . . 51 VAL C . 15814 1 272 . 1 1 51 51 VAL CA C 13 62.43 . . 1 . . . . 51 VAL CA . 15814 1 273 . 1 1 51 51 VAL CB C 13 33.08 . . 1 . . . . 51 VAL CB . 15814 1 274 . 1 1 51 51 VAL N N 15 121.5 . . 1 . . . . 51 VAL N . 15814 1 275 . 1 1 52 52 ALA H H 1 8.462 . . 1 . . . . 52 ALA HN . 15814 1 276 . 1 1 52 52 ALA HA H 1 4.465 . . 1 . . . . 52 ALA HA . 15814 1 277 . 1 1 52 52 ALA C C 13 177.5 . . 1 . . . . 52 ALA C . 15814 1 278 . 1 1 52 52 ALA CA C 13 52.5 . . 1 . . . . 52 ALA CA . 15814 1 279 . 1 1 52 52 ALA CB C 13 19.32 . . 1 . . . . 52 ALA CB . 15814 1 280 . 1 1 52 52 ALA N N 15 128.0 . . 1 . . . . 52 ALA N . 15814 1 281 . 1 1 53 53 ILE H H 1 8.252 . . 1 . . . . 53 ILE HN . 15814 1 282 . 1 1 53 53 ILE HA H 1 4.247 . . 1 . . . . 53 ILE HA . 15814 1 283 . 1 1 53 53 ILE C C 13 176.0 . . 1 . . . . 53 ILE C . 15814 1 284 . 1 1 53 53 ILE CA C 13 61.39 . . 1 . . . . 53 ILE CA . 15814 1 285 . 1 1 53 53 ILE CB C 13 39.08 . . 1 . . . . 53 ILE CB . 15814 1 286 . 1 1 53 53 ILE N N 15 120.5 . . 1 . . . . 53 ILE N . 15814 1 287 . 1 1 54 54 ASN H H 1 8.566 . . 1 . . . . 54 ASN HN . 15814 1 288 . 1 1 54 54 ASN C C 13 175.3 . . 1 . . . . 54 ASN C . 15814 1 289 . 1 1 54 54 ASN CA C 13 53.31 . . 1 . . . . 54 ASN CA . 15814 1 290 . 1 1 54 54 ASN CB C 13 39.6 . . 1 . . . . 54 ASN CB . 15814 1 291 . 1 1 54 54 ASN N N 15 122.3 . . 1 . . . . 54 ASN N . 15814 1 292 . 1 1 55 55 GLY H H 1 8.297 . . 1 . . . . 55 GLY HN . 15814 1 293 . 1 1 55 55 GLY HA2 H 1 4.289 . . 2 . . . . 55 GLY HA . 15814 1 294 . 1 1 55 55 GLY HA3 H 1 4.289 . . 2 . . . . 55 GLY HA . 15814 1 295 . 1 1 55 55 GLY C C 13 171.9 . . 1 . . . . 55 GLY C . 15814 1 296 . 1 1 55 55 GLY CA C 13 44.97 . . 1 . . . . 55 GLY CA . 15814 1 297 . 1 1 55 55 GLY N N 15 109.2 . . 1 . . . . 55 GLY N . 15814 1 298 . 1 1 56 56 PRO CA C 13 63.9 . . 1 . . . . 56 PRO CA . 15814 1 299 . 1 1 56 56 PRO CB C 13 32.29 . . 1 . . . . 56 PRO CB . 15814 1 300 . 1 1 57 57 ASP H H 1 8.521 . . 1 . . . . 57 ASP HN . 15814 1 301 . 1 1 57 57 ASP HA H 1 4.683 . . 1 . . . . 57 ASP HA . 15814 1 302 . 1 1 57 57 ASP C C 13 176.7 . . 1 . . . . 57 ASP C . 15814 1 303 . 1 1 57 57 ASP CA C 13 54.76 . . 1 . . . . 57 ASP CA . 15814 1 304 . 1 1 57 57 ASP CB C 13 41.6 . . 1 . . . . 57 ASP CB . 15814 1 305 . 1 1 57 57 ASP N N 15 119.8 . . 1 . . . . 57 ASP N . 15814 1 306 . 1 1 58 58 GLY H H 1 8.280 . . 1 . . . . 58 GLY HN . 15814 1 307 . 1 1 58 58 GLY HA2 H 1 4.035 . . 2 . . . . 58 GLY HA . 15814 1 308 . 1 1 58 58 GLY HA3 H 1 4.035 . . 2 . . . . 58 GLY HA . 15814 1 309 . 1 1 58 58 GLY C C 13 173.8 . . 1 . . . . 58 GLY C . 15814 1 310 . 1 1 58 58 GLY CA C 13 45.58 . . 1 . . . . 58 GLY CA . 15814 1 311 . 1 1 58 58 GLY N N 15 108.6 . . 1 . . . . 58 GLY N . 15814 1 312 . 1 1 59 59 LEU H H 1 8.114 . . 1 . . . . 59 LEU HN . 15814 1 313 . 1 1 59 59 LEU HA H 1 4.459 . . 1 . . . . 59 LEU HA . 15814 1 314 . 1 1 59 59 LEU C C 13 177.1 . . 1 . . . . 59 LEU C . 15814 1 315 . 1 1 59 59 LEU CA C 13 55.4 . . 1 . . . . 59 LEU CA . 15814 1 316 . 1 1 59 59 LEU CB C 13 42.95 . . 1 . . . . 59 LEU CB . 15814 1 317 . 1 1 59 59 LEU N N 15 121.7 . . 1 . . . . 59 LEU N . 15814 1 318 . 1 1 60 60 VAL H H 1 8.375 . . 1 . . . . 60 VAL HN . 15814 1 319 . 1 1 60 60 VAL C C 13 176.1 . . 1 . . . . 60 VAL C . 15814 1 320 . 1 1 60 60 VAL CA C 13 62.67 . . 1 . . . . 60 VAL CA . 15814 1 321 . 1 1 60 60 VAL CB C 13 32.85 . . 1 . . . . 60 VAL CB . 15814 1 322 . 1 1 60 60 VAL N N 15 122.9 . . 1 . . . . 60 VAL N . 15814 1 323 . 1 1 61 61 VAL H H 1 8.365 . . 1 . . . . 61 VAL HN . 15814 1 324 . 1 1 61 61 VAL HA H 1 4.222 . . 1 . . . . 61 VAL HA . 15814 1 325 . 1 1 61 61 VAL C C 13 175.6 . . 1 . . . . 61 VAL C . 15814 1 326 . 1 1 61 61 VAL CA C 13 62.42 . . 1 . . . . 61 VAL CA . 15814 1 327 . 1 1 61 61 VAL CB C 13 33.17 . . 1 . . . . 61 VAL CB . 15814 1 328 . 1 1 61 61 VAL N N 15 124.6 . . 1 . . . . 61 VAL N . 15814 1 329 . 1 1 62 62 ASP H H 1 8.486 . . 1 . . . . 62 ASP HN . 15814 1 330 . 1 1 62 62 ASP HA H 1 4.708 . . 1 . . . . 62 ASP HA . 15814 1 331 . 1 1 62 62 ASP C C 13 175.8 . . 1 . . . . 62 ASP C . 15814 1 332 . 1 1 62 62 ASP CA C 13 54.46 . . 1 . . . . 62 ASP CA . 15814 1 333 . 1 1 62 62 ASP CB C 13 41.64 . . 1 . . . . 62 ASP CB . 15814 1 334 . 1 1 62 62 ASP N N 15 124.6 . . 1 . . . . 62 ASP N . 15814 1 335 . 1 1 63 63 ALA H H 1 8.292 . . 1 . . . . 63 ALA HN . 15814 1 336 . 1 1 63 63 ALA HA H 1 4.381 . . 1 . . . . 63 ALA HA . 15814 1 337 . 1 1 63 63 ALA C C 13 177.5 . . 1 . . . . 63 ALA C . 15814 1 338 . 1 1 63 63 ALA CA C 13 52.78 . . 1 . . . . 63 ALA CA . 15814 1 339 . 1 1 63 63 ALA CB C 13 19.5 . . 1 . . . . 63 ALA CB . 15814 1 340 . 1 1 63 63 ALA N N 15 124.9 . . 1 . . . . 63 ALA N . 15814 1 341 . 1 1 64 64 LYS H H 1 8.437 . . 1 . . . . 64 LYS HN . 15814 1 342 . 1 1 64 64 LYS HA H 1 4.406 . . 1 . . . . 64 LYS HA . 15814 1 343 . 1 1 64 64 LYS C C 13 176.7 . . 1 . . . . 64 LYS C . 15814 1 344 . 1 1 64 64 LYS CA C 13 56.57 . . 1 . . . . 64 LYS CA . 15814 1 345 . 1 1 64 64 LYS CB C 13 33.2 . . 1 . . . . 64 LYS CB . 15814 1 346 . 1 1 64 64 LYS N N 15 120.8 . . 1 . . . . 64 LYS N . 15814 1 347 . 1 1 65 65 VAL H H 1 8.332 . . 1 . . . . 65 VAL HN . 15814 1 348 . 1 1 65 65 VAL HA H 1 4.288 . . 1 . . . . 65 VAL HA . 15814 1 349 . 1 1 65 65 VAL C C 13 176.4 . . 1 . . . . 65 VAL C . 15814 1 350 . 1 1 65 65 VAL CA C 13 62.68 . . 1 . . . . 65 VAL CA . 15814 1 351 . 1 1 65 65 VAL N N 15 121.8 . . 1 . . . . 65 VAL N . 15814 1 352 . 1 1 66 66 THR H H 1 8.311 . . 1 . . . . 66 THR HN . 15814 1 353 . 1 1 66 66 THR HA H 1 4.492 . . 1 . . . . 66 THR HA . 15814 1 354 . 1 1 66 66 THR C C 13 174.1 . . 1 . . . . 66 THR C . 15814 1 355 . 1 1 66 66 THR CA C 13 61.7 . . 1 . . . . 66 THR CA . 15814 1 356 . 1 1 66 66 THR CB C 13 70.35 . . 1 . . . . 66 THR CB . 15814 1 357 . 1 1 66 66 THR N N 15 117.4 . . 1 . . . . 66 THR N . 15814 1 358 . 1 1 67 67 ASP H H 1 8.426 . . 1 . . . . 67 ASP HN . 15814 1 359 . 1 1 67 67 ASP HA H 1 4.728 . . 1 . . . . 67 ASP HA . 15814 1 360 . 1 1 67 67 ASP C C 13 176.9 . . 1 . . . . 67 ASP C . 15814 1 361 . 1 1 67 67 ASP CA C 13 54.51 . . 1 . . . . 67 ASP CA . 15814 1 362 . 1 1 67 67 ASP CB C 13 41.74 . . 1 . . . . 67 ASP CB . 15814 1 363 . 1 1 67 67 ASP N N 15 122.8 . . 1 . . . . 67 ASP N . 15814 1 364 . 1 1 69 69 ASN H H 1 8.522 . . 1 . . . . 69 ASN HN . 15814 1 365 . 1 1 69 69 ASN C C 13 175.2 . . 1 . . . . 69 ASN C . 15814 1 366 . 1 1 69 69 ASN CA C 13 53.53 . . 1 . . . . 69 ASN CA . 15814 1 367 . 1 1 69 69 ASN CB C 13 39.12 . . 1 . . . . 69 ASN CB . 15814 1 368 . 1 1 69 69 ASN N N 15 119.4 . . 1 . . . . 69 ASN N . 15814 1 369 . 1 1 70 70 ASP H H 1 8.403 . . 1 . . . . 70 ASP HN . 15814 1 370 . 1 1 70 70 ASP HA H 1 4.720 . . 1 . . . . 70 ASP HA . 15814 1 371 . 1 1 70 70 ASP C C 13 176.9 . . 1 . . . . 70 ASP C . 15814 1 372 . 1 1 70 70 ASP CA C 13 54.78 . . 1 . . . . 70 ASP CA . 15814 1 373 . 1 1 70 70 ASP CB C 13 41.51 . . 1 . . . . 70 ASP CB . 15814 1 374 . 1 1 70 70 ASP N N 15 120.7 . . 1 . . . . 70 ASP N . 15814 1 375 . 1 1 71 71 GLY H H 1 8.455 . . 1 . . . . 71 GLY HN . 15814 1 376 . 1 1 71 71 GLY HA2 H 1 4.073 . . 2 . . . . 71 GLY HA . 15814 1 377 . 1 1 71 71 GLY HA3 H 1 4.073 . . 2 . . . . 71 GLY HA . 15814 1 378 . 1 1 71 71 GLY C C 13 174.6 . . 1 . . . . 71 GLY C . 15814 1 379 . 1 1 71 71 GLY CA C 13 45.77 . . 1 . . . . 71 GLY CA . 15814 1 380 . 1 1 71 71 GLY N N 15 109.0 . . 1 . . . . 71 GLY N . 15814 1 381 . 1 1 72 72 THR H H 1 8.144 . . 1 . . . . 72 THR HN . 15814 1 382 . 1 1 72 72 THR HA H 1 4.366 . . 1 . . . . 72 THR HA . 15814 1 383 . 1 1 72 72 THR C C 13 174.5 . . 1 . . . . 72 THR C . 15814 1 384 . 1 1 72 72 THR CA C 13 62.61 . . 1 . . . . 72 THR CA . 15814 1 385 . 1 1 72 72 THR CB C 13 70.24 . . 1 . . . . 72 THR CB . 15814 1 386 . 1 1 72 72 THR N N 15 113.6 . . 1 . . . . 72 THR N . 15814 1 387 . 1 1 73 73 TYR H H 1 8.354 . . 1 . . . . 73 TYR HN . 15814 1 388 . 1 1 73 73 TYR HA H 1 4.676 . . 1 . . . . 73 TYR HA . 15814 1 389 . 1 1 73 73 TYR C C 13 176.2 . . 1 . . . . 73 TYR C . 15814 1 390 . 1 1 73 73 TYR CA C 13 58.27 . . 1 . . . . 73 TYR CA . 15814 1 391 . 1 1 73 73 TYR CB C 13 39.12 . . 1 . . . . 73 TYR CB . 15814 1 392 . 1 1 73 73 TYR N N 15 122.2 . . 1 . . . . 73 TYR N . 15814 1 393 . 1 1 74 74 GLY H H 1 8.349 . . 1 . . . . 74 GLY HN . 15814 1 394 . 1 1 74 74 GLY HA2 H 1 3.989 . . 2 . . . . 74 GLY HA . 15814 1 395 . 1 1 74 74 GLY HA3 H 1 3.989 . . 2 . . . . 74 GLY HA . 15814 1 396 . 1 1 74 74 GLY C C 13 173.5 . . 1 . . . . 74 GLY C . 15814 1 397 . 1 1 74 74 GLY CA C 13 45.36 . . 1 . . . . 74 GLY CA . 15814 1 398 . 1 1 74 74 GLY N N 15 110.6 . . 1 . . . . 74 GLY N . 15814 1 399 . 1 1 75 75 VAL H H 1 8.005 . . 1 . . . . 75 VAL HN . 15814 1 400 . 1 1 75 75 VAL HA H 1 4.123 . . 1 . . . . 75 VAL HA . 15814 1 401 . 1 1 75 75 VAL C C 13 175.7 . . 1 . . . . 75 VAL C . 15814 1 402 . 1 1 75 75 VAL CA C 13 62.58 . . 1 . . . . 75 VAL CA . 15814 1 403 . 1 1 75 75 VAL CB C 13 33.14 . . 1 . . . . 75 VAL CB . 15814 1 404 . 1 1 75 75 VAL N N 15 120.1 . . 1 . . . . 75 VAL N . 15814 1 405 . 1 1 76 76 VAL H H 1 8.260 . . 1 . . . . 76 VAL HN . 15814 1 406 . 1 1 76 76 VAL HA H 1 4.182 . . 1 . . . . 76 VAL HA . 15814 1 407 . 1 1 76 76 VAL C C 13 175.7 . . 1 . . . . 76 VAL C . 15814 1 408 . 1 1 76 76 VAL CA C 13 62.11 . . 1 . . . . 76 VAL CA . 15814 1 409 . 1 1 76 76 VAL N N 15 124.7 . . 1 . . . . 76 VAL N . 15814 1 410 . 1 1 77 77 TYR H H 1 8.477 . . 1 . . . . 77 TYR HN . 15814 1 411 . 1 1 77 77 TYR HA H 1 4.698 . . 1 . . . . 77 TYR HA . 15814 1 412 . 1 1 77 77 TYR C C 13 175.4 . . 1 . . . . 77 TYR C . 15814 1 413 . 1 1 77 77 TYR CA C 13 57.95 . . 1 . . . . 77 TYR CA . 15814 1 414 . 1 1 77 77 TYR CB C 13 39.33 . . 1 . . . . 77 TYR CB . 15814 1 415 . 1 1 77 77 TYR N N 15 125.2 . . 1 . . . . 77 TYR N . 15814 1 416 . 1 1 78 78 ASP H H 1 8.456 . . 1 . . . . 78 ASP HN . 15814 1 417 . 1 1 78 78 ASP HA H 1 4.708 . . 1 . . . . 78 ASP HA . 15814 1 418 . 1 1 78 78 ASP C C 13 175.2 . . 1 . . . . 78 ASP C . 15814 1 419 . 1 1 78 78 ASP CA C 13 54.28 . . 1 . . . . 78 ASP CA . 15814 1 420 . 1 1 78 78 ASP CB C 13 41.63 . . 1 . . . . 78 ASP CB . 15814 1 421 . 1 1 78 78 ASP N N 15 122.8 . . 1 . . . . 78 ASP N . 15814 1 422 . 1 1 79 79 ALA H H 1 8.166 . . 1 . . . . 79 ALA HN . 15814 1 423 . 1 1 79 79 ALA HA H 1 4.616 . . 1 . . . . 79 ALA HA . 15814 1 424 . 1 1 79 79 ALA C C 13 175.3 . . 1 . . . . 79 ALA C . 15814 1 425 . 1 1 79 79 ALA CA C 13 50.7 . . 1 . . . . 79 ALA CA . 15814 1 426 . 1 1 79 79 ALA CB C 13 18.45 . . 1 . . . . 79 ALA CB . 15814 1 427 . 1 1 79 79 ALA N N 15 125.0 . . 1 . . . . 79 ALA N . 15814 1 428 . 1 1 80 80 PRO C C 13 177.0 . . 1 . . . . 80 PRO C . 15814 1 429 . 1 1 80 80 PRO CA C 13 62.86 . . 1 . . . . 80 PRO CA . 15814 1 430 . 1 1 80 80 PRO CB C 13 32.24 . . 1 . . . . 80 PRO CB . 15814 1 431 . 1 1 81 81 VAL H H 1 8.353 . . 1 . . . . 81 VAL HN . 15814 1 432 . 1 1 81 81 VAL HA H 1 4.172 . . 1 . . . . 81 VAL HA . 15814 1 433 . 1 1 81 81 VAL C C 13 176.3 . . 1 . . . . 81 VAL C . 15814 1 434 . 1 1 81 81 VAL CA C 13 62.72 . . 1 . . . . 81 VAL CA . 15814 1 435 . 1 1 81 81 VAL CB C 13 32.93 . . 1 . . . . 81 VAL CB . 15814 1 436 . 1 1 81 81 VAL N N 15 120.7 . . 1 . . . . 81 VAL N . 15814 1 437 . 1 1 82 82 GLU H H 1 8.606 . . 1 . . . . 82 GLU HN . 15814 1 438 . 1 1 82 82 GLU C C 13 176.7 . . 1 . . . . 82 GLU C . 15814 1 439 . 1 1 82 82 GLU CA C 13 56.79 . . 1 . . . . 82 GLU CA . 15814 1 440 . 1 1 82 82 GLU CB C 13 30.64 . . 1 . . . . 82 GLU CB . 15814 1 441 . 1 1 82 82 GLU N N 15 124.4 . . 1 . . . . 82 GLU N . 15814 1 442 . 1 1 83 83 GLY H H 1 8.410 . . 1 . . . . 83 GLY HN . 15814 1 443 . 1 1 83 83 GLY HA2 H 1 3.986 . . 2 . . . . 83 GLY HA . 15814 1 444 . 1 1 83 83 GLY HA3 H 1 3.986 . . 2 . . . . 83 GLY HA . 15814 1 445 . 1 1 83 83 GLY C C 13 173.5 . . 1 . . . . 83 GLY C . 15814 1 446 . 1 1 83 83 GLY CA C 13 45.4 . . 1 . . . . 83 GLY CA . 15814 1 447 . 1 1 83 83 GLY N N 15 109.6 . . 1 . . . . 83 GLY N . 15814 1 448 . 1 1 84 84 ASN H H 1 8.352 . . 1 . . . . 84 ASN HN . 15814 1 449 . 1 1 84 84 ASN C C 13 174.9 . . 1 . . . . 84 ASN C . 15814 1 450 . 1 1 84 84 ASN CA C 13 53.22 . . 1 . . . . 84 ASN CA . 15814 1 451 . 1 1 84 84 ASN CB C 13 39.12 . . 1 . . . . 84 ASN CB . 15814 1 452 . 1 1 84 84 ASN N N 15 118.6 . . 1 . . . . 84 ASN N . 15814 1 453 . 1 1 85 85 TYR H H 1 8.255 . . 1 . . . . 85 TYR HN . 15814 1 454 . 1 1 85 85 TYR C C 13 175.4 . . 1 . . . . 85 TYR C . 15814 1 455 . 1 1 85 85 TYR CA C 13 58.04 . . 1 . . . . 85 TYR CA . 15814 1 456 . 1 1 85 85 TYR N N 15 120.8 . . 1 . . . . 85 TYR N . 15814 1 457 . 1 1 86 86 ASN H H 1 8.520 . . 1 . . . . 86 ASN HN . 15814 1 458 . 1 1 86 86 ASN HA H 1 4.614 . . 1 . . . . 86 ASN HA . 15814 1 459 . 1 1 86 86 ASN C C 13 175.1 . . 1 . . . . 86 ASN C . 15814 1 460 . 1 1 86 86 ASN CA C 13 53.31 . . 1 . . . . 86 ASN CA . 15814 1 461 . 1 1 86 86 ASN CB C 13 39.15 . . 1 . . . . 86 ASN CB . 15814 1 462 . 1 1 86 86 ASN N N 15 120.8 . . 1 . . . . 86 ASN N . 15814 1 463 . 1 1 87 87 VAL H H 1 8.110 . . 1 . . . . 87 VAL HN . 15814 1 464 . 1 1 87 87 VAL HA H 1 4.185 . . 1 . . . . 87 VAL HA . 15814 1 465 . 1 1 87 87 VAL C C 13 175.7 . . 1 . . . . 87 VAL C . 15814 1 466 . 1 1 87 87 VAL CA C 13 62.66 . . 1 . . . . 87 VAL CA . 15814 1 467 . 1 1 87 87 VAL CB C 13 32.97 . . 1 . . . . 87 VAL CB . 15814 1 468 . 1 1 87 87 VAL N N 15 119.9 . . 1 . . . . 87 VAL N . 15814 1 469 . 1 1 88 88 ASN H H 1 8.583 . . 1 . . . . 88 ASN HN . 15814 1 470 . 1 1 88 88 ASN HA H 1 4.862 . . 1 . . . . 88 ASN HA . 15814 1 471 . 1 1 88 88 ASN C C 13 175.3 . . 1 . . . . 88 ASN C . 15814 1 472 . 1 1 88 88 ASN CA C 13 53.51 . . 1 . . . . 88 ASN CA . 15814 1 473 . 1 1 88 88 ASN CB C 13 39.1 . . 1 . . . . 88 ASN CB . 15814 1 474 . 1 1 88 88 ASN N N 15 121.9 . . 1 . . . . 88 ASN N . 15814 1 475 . 1 1 89 89 VAL H H 1 8.134 . . 1 . . . . 89 VAL HN . 15814 1 476 . 1 1 89 89 VAL HA H 1 4.272 . . 1 . . . . 89 VAL HA . 15814 1 477 . 1 1 89 89 VAL C C 13 176.2 . . 1 . . . . 89 VAL C . 15814 1 478 . 1 1 89 89 VAL CA C 13 62.68 . . 1 . . . . 89 VAL CA . 15814 1 479 . 1 1 89 89 VAL CB C 13 33.04 . . 1 . . . . 89 VAL CB . 15814 1 480 . 1 1 89 89 VAL N N 15 120.1 . . 1 . . . . 89 VAL N . 15814 1 481 . 1 1 90 90 THR H H 1 8.327 . . 1 . . . . 90 THR HN . 15814 1 482 . 1 1 90 90 THR HA H 1 4.442 . . 1 . . . . 90 THR HA . 15814 1 483 . 1 1 90 90 THR C C 13 174.5 . . 1 . . . . 90 THR C . 15814 1 484 . 1 1 90 90 THR CA C 13 62.43 . . 1 . . . . 90 THR CA . 15814 1 485 . 1 1 90 90 THR CB C 13 70.14 . . 1 . . . . 90 THR CB . 15814 1 486 . 1 1 90 90 THR N N 15 117.8 . . 1 . . . . 90 THR N . 15814 1 487 . 1 1 91 91 LEU H H 1 8.332 . . 1 . . . . 91 LEU HN . 15814 1 488 . 1 1 91 91 LEU HA H 1 4.471 . . 1 . . . . 91 LEU HA . 15814 1 489 . 1 1 91 91 LEU C C 13 177.1 . . 1 . . . . 91 LEU C . 15814 1 490 . 1 1 91 91 LEU CA C 13 55.28 . . 1 . . . . 91 LEU CA . 15814 1 491 . 1 1 91 91 LEU CB C 13 42.53 . . 1 . . . . 91 LEU CB . 15814 1 492 . 1 1 91 91 LEU N N 15 125.1 . . 1 . . . . 91 LEU N . 15814 1 493 . 1 1 93 93 GLY H H 1 8.444 . . 1 . . . . 93 GLY HN . 15814 1 494 . 1 1 93 93 GLY HA2 H 1 4.034 . . 2 . . . . 93 GLY HA . 15814 1 495 . 1 1 93 93 GLY HA3 H 1 4.034 . . 2 . . . . 93 GLY HA . 15814 1 496 . 1 1 93 93 GLY C C 13 173.3 . . 1 . . . . 93 GLY C . 15814 1 497 . 1 1 93 93 GLY CA C 13 45.31 . . 1 . . . . 93 GLY CA . 15814 1 498 . 1 1 93 93 GLY N N 15 109.6 . . 1 . . . . 93 GLY N . 15814 1 499 . 1 1 95 95 PRO C C 13 176.7 . . 1 . . . . 95 PRO C . 15814 1 500 . 1 1 95 95 PRO CA C 13 63.54 . . 1 . . . . 95 PRO CA . 15814 1 501 . 1 1 95 95 PRO CB C 13 32.29 . . 1 . . . . 95 PRO CB . 15814 1 502 . 1 1 96 96 ILE H H 1 8.311 . . 1 . . . . 96 ILE HN . 15814 1 503 . 1 1 96 96 ILE HA H 1 4.192 . . 1 . . . . 96 ILE HA . 15814 1 504 . 1 1 96 96 ILE C C 13 176.2 . . 1 . . . . 96 ILE C . 15814 1 505 . 1 1 96 96 ILE CA C 13 61.41 . . 1 . . . . 96 ILE CA . 15814 1 506 . 1 1 96 96 ILE CB C 13 38.74 . . 1 . . . . 96 ILE CB . 15814 1 507 . 1 1 96 96 ILE N N 15 121.4 . . 1 . . . . 96 ILE N . 15814 1 508 . 1 1 97 97 LYS H H 1 8.460 . . 1 . . . . 97 LYS HN . 15814 1 509 . 1 1 97 97 LYS HA H 1 4.421 . . 1 . . . . 97 LYS HA . 15814 1 510 . 1 1 97 97 LYS C C 13 176.0 . . 1 . . . . 97 LYS C . 15814 1 511 . 1 1 97 97 LYS CA C 13 56.43 . . 1 . . . . 97 LYS CA . 15814 1 512 . 1 1 97 97 LYS CB C 13 33.54 . . 1 . . . . 97 LYS CB . 15814 1 513 . 1 1 97 97 LYS N N 15 125.6 . . 1 . . . . 97 LYS N . 15814 1 514 . 1 1 100 100 PRO C C 13 176.7 . . 1 . . . . 100 PRO C . 15814 1 515 . 1 1 100 100 PRO CA C 13 63.54 . . 1 . . . . 100 PRO CA . 15814 1 516 . 1 1 100 100 PRO CB C 13 32.29 . . 1 . . . . 100 PRO CB . 15814 1 517 . 1 1 101 101 ILE H H 1 8.320 . . 1 . . . . 101 ILE HN . 15814 1 518 . 1 1 101 101 ILE HA H 1 4.333 . . 1 . . . . 101 ILE HA . 15814 1 519 . 1 1 101 101 ILE C C 13 175.7 . . 1 . . . . 101 ILE C . 15814 1 520 . 1 1 101 101 ILE CA C 13 61.37 . . 1 . . . . 101 ILE CA . 15814 1 521 . 1 1 101 101 ILE CB C 13 39.42 . . 1 . . . . 101 ILE CB . 15814 1 522 . 1 1 101 101 ILE N N 15 120.5 . . 1 . . . . 101 ILE N . 15814 1 523 . 1 1 102 102 ASP H H 1 8.488 . . 1 . . . . 102 ASP HN . 15814 1 524 . 1 1 102 102 ASP HA H 1 4.770 . . 1 . . . . 102 ASP HA . 15814 1 525 . 1 1 102 102 ASP C C 13 175.9 . . 1 . . . . 102 ASP C . 15814 1 526 . 1 1 102 102 ASP CA C 13 54.4 . . 1 . . . . 102 ASP CA . 15814 1 527 . 1 1 102 102 ASP CB C 13 41.72 . . 1 . . . . 102 ASP CB . 15814 1 528 . 1 1 102 102 ASP N N 15 124.1 . . 1 . . . . 102 ASP N . 15814 1 529 . 1 1 103 103 VAL H H 1 8.121 . . 1 . . . . 103 VAL HN . 15814 1 530 . 1 1 103 103 VAL HA H 1 4.210 . . 1 . . . . 103 VAL HA . 15814 1 531 . 1 1 103 103 VAL C C 13 175.8 . . 1 . . . . 103 VAL C . 15814 1 532 . 1 1 103 103 VAL CA C 13 62.48 . . 1 . . . . 103 VAL CA . 15814 1 533 . 1 1 103 103 VAL CB C 13 33.11 . . 1 . . . . 103 VAL CB . 15814 1 534 . 1 1 103 103 VAL N N 15 120.6 . . 1 . . . . 103 VAL N . 15814 1 535 . 1 1 104 104 LYS H H 1 8.581 . . 1 . . . . 104 LYS HN . 15814 1 536 . 1 1 104 104 LYS HA H 1 4.518 . . 1 . . . . 104 LYS HA . 15814 1 537 . 1 1 104 104 LYS C C 13 176.5 . . 1 . . . . 104 LYS C . 15814 1 538 . 1 1 104 104 LYS CA C 13 56.41 . . 1 . . . . 104 LYS CA . 15814 1 539 . 1 1 104 104 LYS CB C 13 33.51 . . 1 . . . . 104 LYS CB . 15814 1 540 . 1 1 104 104 LYS N N 15 124.9 . . 1 . . . . 104 LYS N . 15814 1 541 . 1 1 105 105 CYS H H 1 8.577 . . 1 . . . . 105 CYS HN . 15814 1 542 . 1 1 105 105 CYS C C 13 174.8 . . 1 . . . . 105 CYS C . 15814 1 543 . 1 1 105 105 CYS CA C 13 55.41 . . 1 . . . . 105 CYS CA . 15814 1 544 . 1 1 105 105 CYS N N 15 120.5 . . 1 . . . . 105 CYS N . 15814 1 545 . 1 1 106 106 ILE H H 1 8.549 . . 1 . . . . 106 ILE HN . 15814 1 546 . 1 1 106 106 ILE HA H 1 4.302 . . 1 . . . . 106 ILE HA . 15814 1 547 . 1 1 106 106 ILE C C 13 175.8 . . 1 . . . . 106 ILE C . 15814 1 548 . 1 1 106 106 ILE CA C 13 61.43 . . 1 . . . . 106 ILE CA . 15814 1 549 . 1 1 106 106 ILE CB C 13 39.35 . . 1 . . . . 106 ILE CB . 15814 1 550 . 1 1 106 106 ILE N N 15 122.6 . . 1 . . . . 106 ILE N . 15814 1 551 . 1 1 107 107 GLU H H 1 8.637 . . 1 . . . . 107 GLU HN . 15814 1 552 . 1 1 107 107 GLU HA H 1 4.443 . . 1 . . . . 107 GLU HA . 15814 1 553 . 1 1 107 107 GLU C C 13 175.9 . . 1 . . . . 107 GLU C . 15814 1 554 . 1 1 107 107 GLU CA C 13 56.73 . . 1 . . . . 107 GLU CA . 15814 1 555 . 1 1 107 107 GLU CB C 13 30.9 . . 1 . . . . 107 GLU CB . 15814 1 556 . 1 1 107 107 GLU N N 15 125.8 . . 1 . . . . 107 GLU N . 15814 1 557 . 1 1 108 108 GLY H H 1 8.099 . . 1 . . . . 108 GLY HN . 15814 1 558 . 1 1 108 108 GLY HA2 H 1 3.862 . . 2 . . . . 108 GLY HA . 15814 1 559 . 1 1 108 108 GLY HA3 H 1 3.862 . . 2 . . . . 108 GLY HA . 15814 1 560 . 1 1 108 108 GLY C C 13 172.8 . . 1 . . . . 108 GLY C . 15814 1 561 . 1 1 108 108 GLY CA C 13 46.58 . . 1 . . . . 108 GLY CA . 15814 1 562 . 1 1 108 108 GLY N N 15 116.3 . . 1 . . . . 108 GLY N . 15814 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15814 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $298K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 8 '2D 1H-15N HSQC' . . . 15814 2 9 '3D HNCO' . . . 15814 2 10 '3D HNCACB' . . . 15814 2 11 '3D CBCA(CO)NH' . . . 15814 2 12 '3D HN(CA)CO' . . . 15814 2 13 '3D 1H-15N TOCSY' . . . 15814 2 14 (H)N(COCA)NH . . . 15814 2 15 '2D 1H-13C HSQC' . . . 15814 2 16 '3D HCCH-TOCSY' . . . 15814 2 17 '3D HBHA(CO)NH' . . . 15814 2 18 '3D HCCH-COSY' . . . 15814 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15814 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.187 0.000 1 1 . . . . 2 THR HA . 15814 2 2 . 1 1 2 2 THR HB H 1 4.232 0.000 1 1 . . . . 2 THR HB . 15814 2 3 . 1 1 2 2 THR C C 13 177.200 0.000 1 1 . . . . 2 THR C . 15814 2 4 . 1 1 2 2 THR CA C 13 64.562 0.000 1 1 . . . . 2 THR CA . 15814 2 5 . 1 1 2 2 THR CB C 13 70.059 0.587 2 1 . . . . 2 THR CB . 15814 2 6 . 1 1 2 2 THR CG2 C 13 22.077 0.000 1 1 . . . . 2 THR CG2 . 15814 2 7 . 1 1 3 3 VAL H H 1 7.951 0.000 1 1 . . . . 3 VAL H . 15814 2 8 . 1 1 3 3 VAL HA H 1 4.130 0.002 2 1 . . . . 3 VAL HA . 15814 2 9 . 1 1 3 3 VAL HB H 1 2.026 0.004 2 1 . . . . 3 VAL HB . 15814 2 10 . 1 1 3 3 VAL HG11 H 1 0.892 0.000 1 2 . . . . 3 VAL HG11 . 15814 2 11 . 1 1 3 3 VAL HG12 H 1 0.892 0.000 1 2 . . . . 3 VAL HG12 . 15814 2 12 . 1 1 3 3 VAL HG13 H 1 0.892 0.000 1 2 . . . . 3 VAL HG13 . 15814 2 13 . 1 1 3 3 VAL C C 13 176.000 0.000 1 1 . . . . 3 VAL C . 15814 2 14 . 1 1 3 3 VAL CA C 13 62.648 0.000 1 1 . . . . 3 VAL CA . 15814 2 15 . 1 1 3 3 VAL CB C 13 33.071 0.000 1 1 . . . . 3 VAL CB . 15814 2 16 . 1 1 3 3 VAL CG1 C 13 21.917 0.000 1 2 . . . . 3 VAL CG1 . 15814 2 17 . 1 1 3 3 VAL N N 15 121.520 0.000 1 1 . . . . 3 VAL N . 15814 2 18 . 1 1 4 4 LYS H H 1 8.434 0.008 4 1 . . . . 4 LYS H . 15814 2 19 . 1 1 4 4 LYS HA H 1 4.716 0.006 1 1 . . . . 5 PRO HA . 15814 2 20 . 1 1 4 4 LYS HB2 H 1 1.780 0.025 . 2 . . . . 4 LYS HB2 . 15814 2 21 . 1 1 4 4 LYS HB3 H 1 1.780 0.025 . 2 . . . . 4 LYS HB3 . 15814 2 22 . 1 1 4 4 LYS HG2 H 1 1.111 0.025 . 2 . . . . 4 LYS HG2 . 15814 2 23 . 1 1 4 4 LYS HG3 H 1 1.111 0.025 . 2 . . . . 4 LYS HG3 . 15814 2 24 . 1 1 4 4 LYS C C 13 174.200 0.000 1 1 . . . . 4 LYS C . 15814 2 25 . 1 1 4 4 LYS CA C 13 54.748 0.000 1 1 . . . . 4 LYS CA . 15814 2 26 . 1 1 4 4 LYS N N 15 127.577 0.122 4 1 . . . . 4 LYS N . 15814 2 27 . 1 1 5 5 PRO HA H 1 4.311 0.006 2 1 . . . . 5 PRO HA . 15814 2 28 . 1 1 5 5 PRO HB2 H 1 3.963 0.025 . 2 . . . . 5 PRO HB2 . 15814 2 29 . 1 1 5 5 PRO HB3 H 1 3.569 0.025 . 2 . . . . 5 PRO HB3 . 15814 2 30 . 1 1 5 5 PRO HG2 H 1 2.061 0.025 . 2 . . . . 5 PRO HG2 . 15814 2 31 . 1 1 5 5 PRO HG3 H 1 2.061 0.025 . 2 . . . . 5 PRO HG3 . 15814 2 32 . 1 1 5 5 PRO CA C 13 63.914 0.000 1 1 . . . . 5 PRO CA . 15814 2 33 . 1 1 5 5 PRO CB C 13 33.667 0.010 2 1 . . . . 5 PRO CB . 15814 2 34 . 1 1 5 5 PRO CD C 13 51.36 0.025 . 1 . . . . 5 PRO CD . 15814 2 35 . 1 1 5 5 PRO CG C 13 28.71 0.025 . 1 . . . . 5 PRO CG . 15814 2 36 . 1 1 6 6 ALA H H 1 8.535 0.008 5 1 . . . . 6 ALA H . 15814 2 37 . 1 1 6 6 ALA HA H 1 4.750 0.000 1 1 . . . . 6 ALA HA . 15814 2 38 . 1 1 6 6 ALA HB1 H 1 1.387 0.000 1 1 . . . . 6 ALA HB1 . 15814 2 39 . 1 1 6 6 ALA HB2 H 1 1.387 0.000 1 1 . . . . 6 ALA HB2 . 15814 2 40 . 1 1 6 6 ALA HB3 H 1 1.387 0.000 1 1 . . . . 6 ALA HB3 . 15814 2 41 . 1 1 6 6 ALA CA C 13 49.511 0.065 2 1 . . . . 6 ALA CA . 15814 2 42 . 1 1 6 6 ALA CB C 13 19.654 0.082 2 1 . . . . 6 ALA CB . 15814 2 43 . 1 1 6 6 ALA N N 15 125.538 0.008 5 1 . . . . 6 ALA N . 15814 2 44 . 1 1 7 7 PRO HA H 1 4.271 0.007 2 1 . . . . 7 PRO HA . 15814 2 45 . 1 1 7 7 PRO HB2 H 1 2.242 0.016 2 2 . . . . 7 PRO HB2 . 15814 2 46 . 1 1 7 7 PRO HB3 H 1 1.736 0.000 1 2 . . . . 7 PRO HB3 . 15814 2 47 . 1 1 7 7 PRO HD2 H 1 2.762 0.025 . 2 . . . . 7 PRO HD2 . 15814 2 48 . 1 1 7 7 PRO HD3 H 1 2.220 0.025 . 2 . . . . 7 PRO HD3 . 15814 2 49 . 1 1 7 7 PRO HG2 H 1 1.708 0.025 . 2 . . . . 7 PRO HG2 . 15814 2 50 . 1 1 7 7 PRO HG3 H 1 1.708 0.025 . 2 . . . . 7 PRO HG3 . 15814 2 51 . 1 1 7 7 PRO CA C 13 62.896 0.000 1 1 . . . . 7 PRO CA . 15814 2 52 . 1 1 7 7 PRO CB C 13 32.802 0.000 1 1 . . . . 7 PRO CB . 15814 2 53 . 1 1 7 7 PRO CD C 13 50.13 0.025 . 1 . . . . 7 PRO CD . 15814 2 54 . 1 1 7 7 PRO CG C 13 27.89 0.025 . 1 . . . . 7 PRO CG . 15814 2 55 . 1 1 8 8 SER H H 1 9.134 0.021 6 1 . . . . 8 SER H . 15814 2 56 . 1 1 8 8 SER HA H 1 4.790 0.000 1 1 . . . . 8 SER HA . 15814 2 57 . 1 1 8 8 SER HB2 H 1 3.770 0.025 . 2 . . . . 8 SER HB2 . 15814 2 58 . 1 1 8 8 SER HB3 H 1 3.770 0.025 . 2 . . . . 8 SER HB3 . 15814 2 59 . 1 1 8 8 SER CA C 13 55.190 0.000 1 1 . . . . 8 SER CA . 15814 2 60 . 1 1 8 8 SER CB C 13 65.273 0.000 1 1 . . . . 8 SER CB . 15814 2 61 . 1 1 8 8 SER N N 15 112.929 0.024 6 1 . . . . 8 SER N . 15814 2 62 . 1 1 9 9 ALA HA H 1 4.123 0.003 2 1 . . . . 9 ALA HA . 15814 2 63 . 1 1 9 9 ALA HB1 H 1 1.442 0.006 2 1 . . . . 9 ALA HB1 . 15814 2 64 . 1 1 9 9 ALA HB2 H 1 1.442 0.006 2 1 . . . . 9 ALA HB2 . 15814 2 65 . 1 1 9 9 ALA HB3 H 1 1.442 0.006 2 1 . . . . 9 ALA HB3 . 15814 2 66 . 1 1 9 9 ALA C C 13 176.900 0.000 1 1 . . . . 9 ALA C . 15814 2 67 . 1 1 9 9 ALA CA C 13 55.869 0.000 1 1 . . . . 9 ALA CA . 15814 2 68 . 1 1 9 9 ALA CB C 13 18.573 0.000 1 1 . . . . 9 ALA CB . 15814 2 69 . 1 1 10 10 GLU H H 1 7.961 0.023 6 1 . . . . 10 GLU H . 15814 2 70 . 1 1 10 10 GLU HA H 1 3.976 0.006 3 1 . . . . 10 GLU HA . 15814 2 71 . 1 1 10 10 GLU HB2 H 1 1.739 0.003 2 2 . . . . 10 GLU HB2 . 15814 2 72 . 1 1 10 10 GLU HB3 H 1 1.544 0.004 2 2 . . . . 10 GLU HB3 . 15814 2 73 . 1 1 10 10 GLU C C 13 177.400 0.000 1 1 . . . . 10 GLU C . 15814 2 74 . 1 1 10 10 GLU CA C 13 59.262 0.264 2 1 . . . . 10 GLU CA . 15814 2 75 . 1 1 10 10 GLU CB C 13 29.912 0.102 3 1 . . . . 10 GLU CB . 15814 2 76 . 1 1 10 10 GLU CG C 13 36.391 0.000 1 1 . . . . 10 GLU CG . 15814 2 77 . 1 1 10 10 GLU N N 15 113.927 0.076 6 1 . . . . 10 GLU N . 15814 2 78 . 1 1 11 11 HIS H H 1 7.079 0.022 6 1 . . . . 11 HIS H . 15814 2 79 . 1 1 11 11 HIS HA H 1 4.801 0.001 2 1 . . . . 11 HIS HA . 15814 2 80 . 1 1 11 11 HIS HB2 H 1 3.241 0.000 1 2 . . . . 11 HIS HB2 . 15814 2 81 . 1 1 11 11 HIS HB3 H 1 2.623 0.000 1 2 . . . . 11 HIS HB3 . 15814 2 82 . 1 1 11 11 HIS HD2 H 1 7.122 0.025 . 1 . . . . 11 HIS HD2 . 15814 2 83 . 1 1 11 11 HIS HE1 H 1 7.369 0.025 . 1 . . . . 11 HIS HE1 . 15814 2 84 . 1 1 11 11 HIS C C 13 177.100 0.000 1 1 . . . . 11 HIS C . 15814 2 85 . 1 1 11 11 HIS CA C 13 57.210 0.000 1 1 . . . . 11 HIS CA . 15814 2 86 . 1 1 11 11 HIS CB C 13 34.310 0.000 1 1 . . . . 11 HIS CB . 15814 2 87 . 1 1 11 11 HIS CD2 C 13 118.9 0.025 . 1 . . . . 11 HIS CD2 . 15814 2 88 . 1 1 11 11 HIS CE1 C 13 138.7 0.025 . 1 . . . . 11 HIS CE1 . 15814 2 89 . 1 1 11 11 HIS N N 15 111.761 0.041 6 1 . . . . 11 HIS N . 15814 2 90 . 1 1 12 12 SER H H 1 7.631 0.018 6 1 . . . . 12 SER H . 15814 2 91 . 1 1 12 12 SER HA H 1 4.932 0.011 3 1 . . . . 12 SER HA . 15814 2 92 . 1 1 12 12 SER HB2 H 1 4.116 0.000 1 2 . . . . 12 SER HB2 . 15814 2 93 . 1 1 12 12 SER HB3 H 1 4.116 0.000 1 2 . . . . 12 SER HB3 . 15814 2 94 . 1 1 12 12 SER C C 13 170.500 0.000 1 1 . . . . 12 SER C . 15814 2 95 . 1 1 12 12 SER CA C 13 62.209 0.000 1 1 . . . . 12 SER CA . 15814 2 96 . 1 1 12 12 SER CB C 13 64.171 0.665 2 1 . . . . 12 SER CB . 15814 2 97 . 1 1 12 12 SER N N 15 117.173 0.035 6 1 . . . . 12 SER N . 15814 2 98 . 1 1 13 13 TYR H H 1 8.434 0.019 6 1 . . . . 13 TYR H . 15814 2 99 . 1 1 13 13 TYR HA H 1 5.025 0.005 3 1 . . . . 13 TYR HA . 15814 2 100 . 1 1 13 13 TYR HB2 H 1 3.154 0.000 1 2 . . . . 13 TYR HB2 . 15814 2 101 . 1 1 13 13 TYR HB3 H 1 2.886 0.000 1 2 . . . . 13 TYR HB3 . 15814 2 102 . 1 1 13 13 TYR HD1 H 1 7.190 0.025 . 3 . . . . 13 TYR HD1 . 15814 2 103 . 1 1 13 13 TYR HD2 H 1 7.190 0.025 . 3 . . . . 13 TYR HD2 . 15814 2 104 . 1 1 13 13 TYR HE1 H 1 6.433 0.025 . 3 . . . . 13 TYR HE1 . 15814 2 105 . 1 1 13 13 TYR HE2 H 1 6.433 0.025 . 3 . . . . 13 TYR HE2 . 15814 2 106 . 1 1 13 13 TYR C C 13 171.000 0.000 1 1 . . . . 13 TYR C . 15814 2 107 . 1 1 13 13 TYR CA C 13 56.719 0.091 2 1 . . . . 13 TYR CA . 15814 2 108 . 1 1 13 13 TYR CB C 13 41.183 0.000 1 1 . . . . 13 TYR CB . 15814 2 109 . 1 1 13 13 TYR CD1 C 13 133.55 0.025 . 3 . . . . 13 TYR CD1 . 15814 2 110 . 1 1 13 13 TYR CD2 C 13 133.55 0.025 . 3 . . . . 13 TYR CD2 . 15814 2 111 . 1 1 13 13 TYR CE1 C 13 118.0 0.025 . 3 . . . . 13 TYR CE1 . 15814 2 112 . 1 1 13 13 TYR CE2 C 13 118.0 0.025 . 3 . . . . 13 TYR CE2 . 15814 2 113 . 1 1 13 13 TYR N N 15 116.815 0.039 6 1 . . . . 13 TYR N . 15814 2 114 . 1 1 14 14 ALA H H 1 9.626 0.001 3 1 . . . . 14 ALA H . 15814 2 115 . 1 1 14 14 ALA HA H 1 5.780 0.002 2 1 . . . . 14 ALA HA . 15814 2 116 . 1 1 14 14 ALA HB1 H 1 1.195 0.001 2 1 . . . . 14 ALA HB1 . 15814 2 117 . 1 1 14 14 ALA HB2 H 1 1.195 0.001 2 1 . . . . 14 ALA HB2 . 15814 2 118 . 1 1 14 14 ALA HB3 H 1 1.195 0.001 2 1 . . . . 14 ALA HB3 . 15814 2 119 . 1 1 14 14 ALA C C 13 175.800 0.000 1 1 . . . . 14 ALA C . 15814 2 120 . 1 1 14 14 ALA CA C 13 50.603 0.098 2 1 . . . . 14 ALA CA . 15814 2 121 . 1 1 14 14 ALA CB C 13 24.198 0.057 2 1 . . . . 14 ALA CB . 15814 2 122 . 1 1 14 14 ALA N N 15 122.617 0.017 3 1 . . . . 14 ALA N . 15814 2 123 . 1 1 15 15 GLU H H 1 9.222 0.023 6 1 . . . . 15 GLU H . 15814 2 124 . 1 1 15 15 GLU HA H 1 4.822 0.000 2 1 . . . . 15 GLU HA . 15814 2 125 . 1 1 15 15 GLU HB2 H 1 2.240 0.000 1 2 . . . . 15 GLU HB2 . 15814 2 126 . 1 1 15 15 GLU HB3 H 1 2.240 0.025 . 2 . . . . 15 GLU HB3 . 15814 2 127 . 1 1 15 15 GLU HG2 H 1 0.38 0.025 . 2 . . . . 15 GLU HG2 . 15814 2 128 . 1 1 15 15 GLU HG3 H 1 0.38 0.025 . 2 . . . . 15 GLU HG3 . 15814 2 129 . 1 1 15 15 GLU CA C 13 56.443 0.000 1 1 . . . . 15 GLU CA . 15814 2 130 . 1 1 15 15 GLU CB C 13 35.930 0.000 1 1 . . . . 15 GLU CB . 15814 2 131 . 1 1 15 15 GLU CG C 13 36.719 0.000 1 1 . . . . 15 GLU CG . 15814 2 132 . 1 1 15 15 GLU N N 15 117.227 0.082 6 1 . . . . 15 GLU N . 15814 2 133 . 1 1 16 16 GLY H H 1 8.850 0.006 6 1 . . . . 16 GLY H . 15814 2 134 . 1 1 16 16 GLY HA2 H 1 4.827 0.057 2 2 . . . . 16 GLY HA2 . 15814 2 135 . 1 1 16 16 GLY HA3 H 1 4.216 0.010 3 2 . . . . 16 GLY HA3 . 15814 2 136 . 1 1 16 16 GLY C C 13 174.000 0.000 1 1 . . . . 16 GLY C . 15814 2 137 . 1 1 16 16 GLY CA C 13 45.538 0.055 2 1 . . . . 16 GLY CA . 15814 2 138 . 1 1 16 16 GLY N N 15 112.617 0.112 6 1 . . . . 16 GLY N . 15814 2 139 . 1 1 17 17 GLU H H 1 8.882 0.302 2 1 . . . . 17 GLU H . 15814 2 140 . 1 1 17 17 GLU HA H 1 4.170 0.357 2 1 . . . . 17 GLU HA . 15814 2 141 . 1 1 17 17 GLU HB2 H 1 2.313 0.000 1 2 . . . . 17 GLU HB2 . 15814 2 142 . 1 1 17 17 GLU HB3 H 1 2.313 0.025 . 2 . . . . 17 GLU HB3 . 15814 2 143 . 1 1 17 17 GLU HG2 H 1 2.537 0.025 . 2 . . . . 17 GLU HG2 . 15814 2 144 . 1 1 17 17 GLU HG3 H 1 2.537 0.025 . 2 . . . . 17 GLU HG3 . 15814 2 145 . 1 1 17 17 GLU C C 13 175.200 0.000 1 1 . . . . 17 GLU C . 15814 2 146 . 1 1 17 17 GLU CA C 13 60.141 0.000 1 1 . . . . 17 GLU CA . 15814 2 147 . 1 1 17 17 GLU CB C 13 29.728 0.000 1 1 . . . . 17 GLU CB . 15814 2 148 . 1 1 17 17 GLU CG C 13 36.947 0.000 1 1 . . . . 17 GLU CG . 15814 2 149 . 1 1 17 17 GLU N N 15 126.718 4.970 2 1 . . . . 17 GLU N . 15814 2 150 . 1 1 18 18 GLY H H 1 9.097 0.012 6 1 . . . . 18 GLY H . 15814 2 151 . 1 1 18 18 GLY HA2 H 1 4.197 0.004 3 2 . . . . 18 GLY HA2 . 15814 2 152 . 1 1 18 18 GLY HA3 H 1 3.388 0.019 3 2 . . . . 18 GLY HA3 . 15814 2 153 . 1 1 18 18 GLY C C 13 171.800 0.000 1 1 . . . . 18 GLY C . 15814 2 154 . 1 1 18 18 GLY CA C 13 46.815 0.043 3 1 . . . . 18 GLY CA . 15814 2 155 . 1 1 18 18 GLY N N 15 104.409 0.063 6 1 . . . . 18 GLY N . 15814 2 156 . 1 1 19 19 LEU H H 1 7.691 0.011 5 1 . . . . 19 LEU H . 15814 2 157 . 1 1 19 19 LEU HA H 1 4.436 0.001 2 1 . . . . 19 LEU HA . 15814 2 158 . 1 1 19 19 LEU HB2 H 1 1.685 0.042 2 2 . . . . 19 LEU HB2 . 15814 2 159 . 1 1 19 19 LEU HB3 H 1 1.588 0.000 1 2 . . . . 19 LEU HB3 . 15814 2 160 . 1 1 19 19 LEU HD11 H 1 0.352 0.000 1 2 . . . . 19 LEU HD11 . 15814 2 161 . 1 1 19 19 LEU HD12 H 1 0.352 0.000 1 2 . . . . 19 LEU HD12 . 15814 2 162 . 1 1 19 19 LEU HD13 H 1 0.352 0.000 1 2 . . . . 19 LEU HD13 . 15814 2 163 . 1 1 19 19 LEU HD21 H 1 -0.247 0.000 1 2 . . . . 19 LEU HD21 . 15814 2 164 . 1 1 19 19 LEU HD22 H 1 -0.247 0.000 1 2 . . . . 19 LEU HD22 . 15814 2 165 . 1 1 19 19 LEU HD23 H 1 -0.247 0.000 1 2 . . . . 19 LEU HD23 . 15814 2 166 . 1 1 19 19 LEU HG H 1 0.651 0.000 1 1 . . . . 19 LEU HG . 15814 2 167 . 1 1 19 19 LEU C C 13 176.200 0.000 1 1 . . . . 19 LEU C . 15814 2 168 . 1 1 19 19 LEU CA C 13 54.243 0.068 2 1 . . . . 19 LEU CA . 15814 2 169 . 1 1 19 19 LEU CB C 13 42.197 0.088 3 1 . . . . 19 LEU CB . 15814 2 170 . 1 1 19 19 LEU CD1 C 13 25.962 0.000 1 2 . . . . 19 LEU CD1 . 15814 2 171 . 1 1 19 19 LEU CD2 C 13 21.984 0.000 1 2 . . . . 19 LEU CD2 . 15814 2 172 . 1 1 19 19 LEU CG C 13 27.062 0.000 1 1 . . . . 19 LEU CG . 15814 2 173 . 1 1 19 19 LEU N N 15 115.709 0.023 5 1 . . . . 19 LEU N . 15814 2 174 . 1 1 20 20 VAL H H 1 8.068 0.016 6 1 . . . . 20 VAL H . 15814 2 175 . 1 1 20 20 VAL HA H 1 4.133 0.003 3 1 . . . . 20 VAL HA . 15814 2 176 . 1 1 20 20 VAL HB H 1 2.170 0.004 2 1 . . . . 20 VAL HB . 15814 2 177 . 1 1 20 20 VAL HG11 H 1 1.043 0.000 1 2 . . . . 20 VAL HG11 . 15814 2 178 . 1 1 20 20 VAL HG12 H 1 1.043 0.000 1 2 . . . . 20 VAL HG12 . 15814 2 179 . 1 1 20 20 VAL HG13 H 1 1.043 0.000 1 2 . . . . 20 VAL HG13 . 15814 2 180 . 1 1 20 20 VAL HG21 H 1 0.991 0.000 1 2 . . . . 20 VAL HG21 . 15814 2 181 . 1 1 20 20 VAL HG22 H 1 0.991 0.000 1 2 . . . . 20 VAL HG22 . 15814 2 182 . 1 1 20 20 VAL HG23 H 1 0.991 0.000 1 2 . . . . 20 VAL HG23 . 15814 2 183 . 1 1 20 20 VAL C C 13 175.200 0.000 1 1 . . . . 20 VAL C . 15814 2 184 . 1 1 20 20 VAL CA C 13 65.137 0.134 2 1 . . . . 20 VAL CA . 15814 2 185 . 1 1 20 20 VAL CB C 13 35.260 0.089 2 1 . . . . 20 VAL CB . 15814 2 186 . 1 1 20 20 VAL CG2 C 13 22.683 0.000 1 2 . . . . 20 VAL CG2 . 15814 2 187 . 1 1 20 20 VAL N N 15 121.211 0.153 6 1 . . . . 20 VAL N . 15814 2 188 . 1 1 21 21 LYS H H 1 8.310 0.019 6 1 . . . . 21 LYS H . 15814 2 189 . 1 1 21 21 LYS HA H 1 4.518 0.000 2 1 . . . . 21 LYS HA . 15814 2 190 . 1 1 21 21 LYS HB2 H 1 1.748 0.000 1 2 . . . . 21 LYS HB2 . 15814 2 191 . 1 1 21 21 LYS HB3 H 1 1.718 0.025 . 2 . . . . 21 LYS HB3 . 15814 2 192 . 1 1 21 21 LYS HG2 H 1 1.281 0.025 . 2 . . . . 21 LYS HG2 . 15814 2 193 . 1 1 21 21 LYS HG3 H 1 1.281 0.025 . 2 . . . . 21 LYS HG3 . 15814 2 194 . 1 1 21 21 LYS C C 13 172.800 0.000 1 1 . . . . 21 LYS C . 15814 2 195 . 1 1 21 21 LYS CA C 13 57.416 0.000 1 1 . . . . 21 LYS CA . 15814 2 196 . 1 1 21 21 LYS CB C 13 34.117 0.000 1 1 . . . . 21 LYS CB . 15814 2 197 . 1 1 21 21 LYS CD C 13 29.803 0.000 1 1 . . . . 21 LYS CD . 15814 2 198 . 1 1 21 21 LYS CE C 13 42.310 0.000 1 1 . . . . 21 LYS CE . 15814 2 199 . 1 1 21 21 LYS CG C 13 23.774 0.000 1 1 . . . . 21 LYS CG . 15814 2 200 . 1 1 21 21 LYS N N 15 121.834 0.032 6 1 . . . . 21 LYS N . 15814 2 201 . 1 1 22 22 VAL H H 1 7.924 0.014 6 1 . . . . 22 VAL H . 15814 2 202 . 1 1 22 22 VAL HA H 1 4.327 0.006 3 1 . . . . 22 VAL HA . 15814 2 203 . 1 1 22 22 VAL HB H 1 1.918 0.011 2 1 . . . . 22 VAL HB . 15814 2 204 . 1 1 22 22 VAL HG11 H 1 0.785 0.000 1 2 . . . . 22 VAL HG11 . 15814 2 205 . 1 1 22 22 VAL HG12 H 1 0.785 0.000 1 2 . . . . 22 VAL HG12 . 15814 2 206 . 1 1 22 22 VAL HG13 H 1 0.785 0.000 1 2 . . . . 22 VAL HG13 . 15814 2 207 . 1 1 22 22 VAL HG21 H 1 0.604 0.000 1 2 . . . . 22 VAL HG21 . 15814 2 208 . 1 1 22 22 VAL HG22 H 1 0.604 0.000 1 2 . . . . 22 VAL HG22 . 15814 2 209 . 1 1 22 22 VAL HG23 H 1 0.604 0.000 1 2 . . . . 22 VAL HG23 . 15814 2 210 . 1 1 22 22 VAL C C 13 172.700 0.000 1 1 . . . . 22 VAL C . 15814 2 211 . 1 1 22 22 VAL CA C 13 59.976 0.114 2 1 . . . . 22 VAL CA . 15814 2 212 . 1 1 22 22 VAL CB C 13 35.388 0.104 2 1 . . . . 22 VAL CB . 15814 2 213 . 1 1 22 22 VAL CG1 C 13 23.231 0.000 1 2 . . . . 22 VAL CG1 . 15814 2 214 . 1 1 22 22 VAL CG2 C 13 20.837 0.000 1 2 . . . . 22 VAL CG2 . 15814 2 215 . 1 1 22 22 VAL N N 15 122.634 0.086 6 1 . . . . 22 VAL N . 15814 2 216 . 1 1 23 23 PHE H H 1 9.087 0.009 6 1 . . . . 23 PHE H . 15814 2 217 . 1 1 23 23 PHE HA H 1 5.794 0.001 3 1 . . . . 23 PHE HA . 15814 2 218 . 1 1 23 23 PHE HB2 H 1 3.218 0.000 1 2 . . . . 23 PHE HB2 . 15814 2 219 . 1 1 23 23 PHE HB3 H 1 2.799 0.000 1 2 . . . . 23 PHE HB3 . 15814 2 220 . 1 1 23 23 PHE HD1 H 1 7.171 0.025 . 3 . . . . 23 PHE HD1 . 15814 2 221 . 1 1 23 23 PHE HD2 H 1 7.171 0.025 . 3 . . . . 23 PHE HD2 . 15814 2 222 . 1 1 23 23 PHE HE1 H 1 7.153 0.025 . 3 . . . . 23 PHE HE1 . 15814 2 223 . 1 1 23 23 PHE HE2 H 1 7.153 0.025 . 3 . . . . 23 PHE HE2 . 15814 2 224 . 1 1 23 23 PHE HZ H 1 7.195 0.025 . 1 . . . . 23 PHE HZ . 15814 2 225 . 1 1 23 23 PHE C C 13 176.800 0.000 1 1 . . . . 23 PHE C . 15814 2 226 . 1 1 23 23 PHE CA C 13 56.270 0.027 2 1 . . . . 23 PHE CA . 15814 2 227 . 1 1 23 23 PHE CB C 13 43.815 0.000 1 1 . . . . 23 PHE CB . 15814 2 228 . 1 1 23 23 PHE CD1 C 13 132.4 0.025 . 3 . . . . 23 PHE CD1 . 15814 2 229 . 1 1 23 23 PHE CD2 C 13 132.4 0.025 . 3 . . . . 23 PHE CD2 . 15814 2 230 . 1 1 23 23 PHE CE1 C 13 118.6 0.025 . 3 . . . . 23 PHE CE1 . 15814 2 231 . 1 1 23 23 PHE CE2 C 13 118.6 0.025 . 3 . . . . 23 PHE CE2 . 15814 2 232 . 1 1 23 23 PHE CZ C 13 128.9 0.025 . 1 . . . . 23 PHE CZ . 15814 2 233 . 1 1 23 23 PHE N N 15 121.776 0.055 6 1 . . . . 23 PHE N . 15814 2 234 . 1 1 24 24 ASP H H 1 8.029 0.024 6 1 . . . . 24 ASP H . 15814 2 235 . 1 1 24 24 ASP HA H 1 4.740 0.009 2 1 . . . . 24 ASP HA . 15814 2 236 . 1 1 24 24 ASP HB2 H 1 2.833 0.000 1 2 . . . . 24 ASP HB2 . 15814 2 237 . 1 1 24 24 ASP HB3 H 1 2.112 0.000 1 2 . . . . 24 ASP HB3 . 15814 2 238 . 1 1 24 24 ASP C C 13 177.200 0.000 1 1 . . . . 24 ASP C . 15814 2 239 . 1 1 24 24 ASP CA C 13 54.810 0.000 1 1 . . . . 24 ASP CA . 15814 2 240 . 1 1 24 24 ASP CB C 13 40.372 0.000 1 1 . . . . 24 ASP CB . 15814 2 241 . 1 1 24 24 ASP N N 15 119.108 0.020 6 1 . . . . 24 ASP N . 15814 2 242 . 1 1 25 25 ASN H H 1 7.760 0.015 6 1 . . . . 25 ASN H . 15814 2 243 . 1 1 25 25 ASN HA H 1 4.758 0.003 2 1 . . . . 25 ASN HA . 15814 2 244 . 1 1 25 25 ASN HB2 H 1 3.115 0.000 1 2 . . . . 25 ASN HB2 . 15814 2 245 . 1 1 25 25 ASN HB3 H 1 2.634 0.000 1 2 . . . . 25 ASN HB3 . 15814 2 246 . 1 1 25 25 ASN C C 13 175.200 0.000 1 1 . . . . 25 ASN C . 15814 2 247 . 1 1 25 25 ASN CA C 13 51.712 0.000 1 1 . . . . 25 ASN CA . 15814 2 248 . 1 1 25 25 ASN CB C 13 38.619 0.000 1 1 . . . . 25 ASN CB . 15814 2 249 . 1 1 25 25 ASN N N 15 115.824 0.065 6 1 . . . . 25 ASN N . 15814 2 250 . 1 1 26 26 ALA H H 1 7.487 0.026 6 1 . . . . 26 ALA H . 15814 2 251 . 1 1 26 26 ALA HA H 1 4.879 0.001 2 1 . . . . 26 ALA HA . 15814 2 252 . 1 1 26 26 ALA HB1 H 1 1.349 0.014 2 1 . . . . 26 ALA HB1 . 15814 2 253 . 1 1 26 26 ALA HB2 H 1 1.349 0.014 2 1 . . . . 26 ALA HB2 . 15814 2 254 . 1 1 26 26 ALA HB3 H 1 1.349 0.014 2 1 . . . . 26 ALA HB3 . 15814 2 255 . 1 1 26 26 ALA C C 13 174.500 0.000 1 1 . . . . 26 ALA C . 15814 2 256 . 1 1 26 26 ALA CA C 13 50.670 0.142 2 1 . . . . 26 ALA CA . 15814 2 257 . 1 1 26 26 ALA CB C 13 21.572 0.397 2 1 . . . . 26 ALA CB . 15814 2 258 . 1 1 26 26 ALA N N 15 122.144 0.022 6 1 . . . . 26 ALA N . 15814 2 259 . 1 1 27 27 PRO HA H 1 4.288 0.021 2 1 . . . . 27 PRO HA . 15814 2 260 . 1 1 27 27 PRO HB2 H 1 2.140 0.006 2 2 . . . . 27 PRO HB2 . 15814 2 261 . 1 1 27 27 PRO HB3 H 1 1.661 0.009 2 2 . . . . 27 PRO HB3 . 15814 2 262 . 1 1 27 27 PRO HG2 H 1 2.282 0.025 . 2 . . . . 27 PRO HG2 . 15814 2 263 . 1 1 27 27 PRO HG3 H 1 1.959 0.025 . 2 . . . . 27 PRO HG3 . 15814 2 264 . 1 1 27 27 PRO CA C 13 63.901 0.000 1 1 . . . . 27 PRO CA . 15814 2 265 . 1 1 27 27 PRO CB C 13 32.711 0.007 2 1 . . . . 27 PRO CB . 15814 2 266 . 1 1 28 28 ALA H H 1 8.891 0.011 6 1 . . . . 28 ALA H . 15814 2 267 . 1 1 28 28 ALA HA H 1 4.557 0.005 3 1 . . . . 28 ALA HA . 15814 2 268 . 1 1 28 28 ALA HB1 H 1 0.538 0.002 2 1 . . . . 28 ALA HB1 . 15814 2 269 . 1 1 28 28 ALA HB2 H 1 0.538 0.002 2 1 . . . . 28 ALA HB2 . 15814 2 270 . 1 1 28 28 ALA HB3 H 1 0.538 0.002 2 1 . . . . 28 ALA HB3 . 15814 2 271 . 1 1 28 28 ALA C C 13 175.900 0.000 1 1 . . . . 28 ALA C . 15814 2 272 . 1 1 28 28 ALA CA C 13 50.950 0.079 2 1 . . . . 28 ALA CA . 15814 2 273 . 1 1 28 28 ALA CB C 13 21.424 0.053 2 1 . . . . 28 ALA CB . 15814 2 274 . 1 1 28 28 ALA N N 15 127.975 0.070 6 1 . . . . 28 ALA N . 15814 2 275 . 1 1 29 29 GLU H H 1 8.441 0.004 6 1 . . . . 29 GLU H . 15814 2 276 . 1 1 29 29 GLU HA H 1 5.733 0.002 3 1 . . . . 29 GLU HA . 15814 2 277 . 1 1 29 29 GLU HB2 H 1 1.991 0.000 1 2 . . . . 29 GLU HB2 . 15814 2 278 . 1 1 29 29 GLU HB3 H 1 1.991 0.025 . 2 . . . . 29 GLU HB3 . 15814 2 279 . 1 1 29 29 GLU HG2 H 1 3.82 0.025 . 2 . . . . 29 GLU HG2 . 15814 2 280 . 1 1 29 29 GLU HG3 H 1 3.82 0.025 . 2 . . . . 29 GLU HG3 . 15814 2 281 . 1 1 29 29 GLU C C 13 177.000 0.000 1 1 . . . . 29 GLU C . 15814 2 282 . 1 1 29 29 GLU CA C 13 54.868 0.062 2 1 . . . . 29 GLU CA . 15814 2 283 . 1 1 29 29 GLU CB C 13 34.612 0.000 1 1 . . . . 29 GLU CB . 15814 2 284 . 1 1 29 29 GLU CG C 13 37.230 0.000 1 1 . . . . 29 GLU CG . 15814 2 285 . 1 1 29 29 GLU N N 15 117.648 0.034 6 1 . . . . 29 GLU N . 15814 2 286 . 1 1 30 30 PHE H H 1 8.822 0.027 6 1 . . . . 30 PHE H . 15814 2 287 . 1 1 30 30 PHE HA H 1 5.125 0.006 3 1 . . . . 30 PHE HA . 15814 2 288 . 1 1 30 30 PHE HB2 H 1 2.894 0.000 1 2 . . . . 30 PHE HB2 . 15814 2 289 . 1 1 30 30 PHE HB3 H 1 2.894 0.025 . 2 . . . . 30 PHE HB3 . 15814 2 290 . 1 1 30 30 PHE HD1 H 1 6.361 0.025 . 3 . . . . 30 PHE HD1 . 15814 2 291 . 1 1 30 30 PHE HD2 H 1 6.361 0.025 . 3 . . . . 30 PHE HD2 . 15814 2 292 . 1 1 30 30 PHE HZ H 1 6.655 0.025 . 1 . . . . 30 PHE HZ . 15814 2 293 . 1 1 30 30 PHE C C 13 171.400 0.000 1 1 . . . . 30 PHE C . 15814 2 294 . 1 1 30 30 PHE CA C 13 57.910 0.009 2 1 . . . . 30 PHE CA . 15814 2 295 . 1 1 30 30 PHE CB C 13 40.633 0.000 1 1 . . . . 30 PHE CB . 15814 2 296 . 1 1 30 30 PHE CD1 C 13 131.3 0.025 . 3 . . . . 30 PHE CD1 . 15814 2 297 . 1 1 30 30 PHE CD2 C 13 131.3 0.025 . 3 . . . . 30 PHE CD2 . 15814 2 298 . 1 1 30 30 PHE CZ C 13 128.9 0.025 . 1 . . . . 30 PHE CZ . 15814 2 299 . 1 1 30 30 PHE N N 15 116.257 0.045 6 1 . . . . 30 PHE N . 15814 2 300 . 1 1 31 31 THR H H 1 8.921 0.021 6 1 . . . . 31 THR H . 15814 2 301 . 1 1 31 31 THR HA H 1 5.215 0.007 3 1 . . . . 31 THR HA . 15814 2 302 . 1 1 31 31 THR HB H 1 3.852 0.006 2 1 . . . . 31 THR HB . 15814 2 303 . 1 1 31 31 THR HG21 H 1 0.326 0.000 1 1 . . . . 31 THR HG21 . 15814 2 304 . 1 1 31 31 THR HG22 H 1 0.326 0.000 1 1 . . . . 31 THR HG22 . 15814 2 305 . 1 1 31 31 THR HG23 H 1 0.326 0.000 1 1 . . . . 31 THR HG23 . 15814 2 306 . 1 1 31 31 THR C C 13 173.000 0.000 1 1 . . . . 31 THR C . 15814 2 307 . 1 1 31 31 THR CA C 13 61.722 0.129 2 1 . . . . 31 THR CA . 15814 2 308 . 1 1 31 31 THR CB C 13 72.286 0.118 2 1 . . . . 31 THR CB . 15814 2 309 . 1 1 31 31 THR CG2 C 13 22.398 0.000 1 1 . . . . 31 THR CG2 . 15814 2 310 . 1 1 31 31 THR N N 15 116.752 0.016 6 1 . . . . 31 THR N . 15814 2 311 . 1 1 32 32 ILE H H 1 9.341 0.016 5 1 . . . . 32 ILE H . 15814 2 312 . 1 1 32 32 ILE HA H 1 4.117 0.001 3 1 . . . . 32 ILE HA . 15814 2 313 . 1 1 32 32 ILE HB H 1 1.398 0.005 2 1 . . . . 32 ILE HB . 15814 2 314 . 1 1 32 32 ILE HD11 H 1 0.369 0.000 1 1 . . . . 32 ILE HD11 . 15814 2 315 . 1 1 32 32 ILE HD12 H 1 0.369 0.000 1 1 . . . . 32 ILE HD12 . 15814 2 316 . 1 1 32 32 ILE HD13 H 1 0.369 0.000 1 1 . . . . 32 ILE HD13 . 15814 2 317 . 1 1 32 32 ILE HG12 H 1 1.665 0.000 1 2 . . . . 32 ILE HG12 . 15814 2 318 . 1 1 32 32 ILE HG13 H 1 0.577 0.000 1 2 . . . . 32 ILE HG13 . 15814 2 319 . 1 1 32 32 ILE HG21 H 1 -0.196 0.000 1 1 . . . . 32 ILE HG21 . 15814 2 320 . 1 1 32 32 ILE HG22 H 1 -0.196 0.000 1 1 . . . . 32 ILE HG22 . 15814 2 321 . 1 1 32 32 ILE HG23 H 1 -0.196 0.000 1 1 . . . . 32 ILE HG23 . 15814 2 322 . 1 1 32 32 ILE C C 13 173.400 0.000 1 1 . . . . 32 ILE C . 15814 2 323 . 1 1 32 32 ILE CA C 13 61.674 0.000 1 1 . . . . 32 ILE CA . 15814 2 324 . 1 1 32 32 ILE CB C 13 40.296 0.056 2 1 . . . . 32 ILE CB . 15814 2 325 . 1 1 32 32 ILE CD1 C 13 15.009 0.000 1 1 . . . . 32 ILE CD1 . 15814 2 326 . 1 1 32 32 ILE CG1 C 13 28.117 0.009 2 1 . . . . 32 ILE CG1 . 15814 2 327 . 1 1 32 32 ILE CG2 C 13 16.410 0.000 1 1 . . . . 32 ILE CG2 . 15814 2 328 . 1 1 32 32 ILE N N 15 125.379 0.019 5 1 . . . . 32 ILE N . 15814 2 329 . 1 1 33 33 PHE H H 1 9.389 0.013 6 1 . . . . 33 PHE H . 15814 2 330 . 1 1 33 33 PHE HA H 1 4.267 0.008 3 1 . . . . 33 PHE HA . 15814 2 331 . 1 1 33 33 PHE HB2 H 1 2.497 0.007 2 2 . . . . 33 PHE HB2 . 15814 2 332 . 1 1 33 33 PHE HB3 H 1 1.401 0.006 2 2 . . . . 33 PHE HB3 . 15814 2 333 . 1 1 33 33 PHE HD1 H 1 7.152 0.025 . 3 . . . . 33 PHE HD1 . 15814 2 334 . 1 1 33 33 PHE HD2 H 1 6.841 0.025 . 3 . . . . 33 PHE HD2 . 15814 2 335 . 1 1 33 33 PHE HE1 H 1 6.858 0.025 . 3 . . . . 33 PHE HE1 . 15814 2 336 . 1 1 33 33 PHE HE2 H 1 6.858 0.025 . 3 . . . . 33 PHE HE2 . 15814 2 337 . 1 1 33 33 PHE HZ H 1 7.237 0.025 . 1 . . . . 33 PHE HZ . 15814 2 338 . 1 1 33 33 PHE C C 13 173.700 0.000 1 1 . . . . 33 PHE C . 15814 2 339 . 1 1 33 33 PHE CA C 13 57.897 0.044 2 1 . . . . 33 PHE CA . 15814 2 340 . 1 1 33 33 PHE CB C 13 38.901 0.053 3 1 . . . . 33 PHE CB . 15814 2 341 . 1 1 33 33 PHE CD1 C 13 133.5 0.025 . 3 . . . . 33 PHE CD1 . 15814 2 342 . 1 1 33 33 PHE CD2 C 13 132.9 0.025 . 3 . . . . 33 PHE CD2 . 15814 2 343 . 1 1 33 33 PHE CE1 C 13 118.6 0.025 . 3 . . . . 33 PHE CE1 . 15814 2 344 . 1 1 33 33 PHE CE2 C 13 118.6 0.025 . 3 . . . . 33 PHE CE2 . 15814 2 345 . 1 1 33 33 PHE CZ C 13 130.5 0.025 . 1 . . . . 33 PHE CZ . 15814 2 346 . 1 1 33 33 PHE N N 15 128.054 0.039 6 1 . . . . 33 PHE N . 15814 2 347 . 1 1 34 34 ALA H H 1 8.669 0.016 6 1 . . . . 34 ALA H . 15814 2 348 . 1 1 34 34 ALA HA H 1 4.625 0.011 3 1 . . . . 34 ALA HA . 15814 2 349 . 1 1 34 34 ALA HB1 H 1 1.840 0.006 2 1 . . . . 34 ALA HB1 . 15814 2 350 . 1 1 34 34 ALA HB2 H 1 1.840 0.006 2 1 . . . . 34 ALA HB2 . 15814 2 351 . 1 1 34 34 ALA HB3 H 1 1.840 0.006 2 1 . . . . 34 ALA HB3 . 15814 2 352 . 1 1 34 34 ALA C C 13 177.600 0.000 1 1 . . . . 34 ALA C . 15814 2 353 . 1 1 34 34 ALA CA C 13 51.898 0.268 2 1 . . . . 34 ALA CA . 15814 2 354 . 1 1 34 34 ALA CB C 13 21.666 0.071 2 1 . . . . 34 ALA CB . 15814 2 355 . 1 1 34 34 ALA N N 15 124.896 0.015 6 1 . . . . 34 ALA N . 15814 2 356 . 1 1 35 35 VAL H H 1 9.264 0.011 6 1 . . . . 35 VAL H . 15814 2 357 . 1 1 35 35 VAL HA H 1 4.363 0.004 3 1 . . . . 35 VAL HA . 15814 2 358 . 1 1 35 35 VAL HB H 1 1.639 0.004 2 1 . . . . 35 VAL HB . 15814 2 359 . 1 1 35 35 VAL HG11 H 1 1.143 0.000 1 2 . . . . 35 VAL HG11 . 15814 2 360 . 1 1 35 35 VAL HG12 H 1 1.143 0.000 1 2 . . . . 35 VAL HG12 . 15814 2 361 . 1 1 35 35 VAL HG13 H 1 1.143 0.000 1 2 . . . . 35 VAL HG13 . 15814 2 362 . 1 1 35 35 VAL HG21 H 1 0.988 0.000 1 2 . . . . 35 VAL HG21 . 15814 2 363 . 1 1 35 35 VAL HG22 H 1 0.988 0.000 1 2 . . . . 35 VAL HG22 . 15814 2 364 . 1 1 35 35 VAL HG23 H 1 0.988 0.000 1 2 . . . . 35 VAL HG23 . 15814 2 365 . 1 1 35 35 VAL C C 13 174.200 0.000 1 1 . . . . 35 VAL C . 15814 2 366 . 1 1 35 35 VAL CA C 13 62.025 0.009 2 1 . . . . 35 VAL CA . 15814 2 367 . 1 1 35 35 VAL CB C 13 35.713 0.093 2 1 . . . . 35 VAL CB . 15814 2 368 . 1 1 35 35 VAL CG1 C 13 23.011 0.000 1 2 . . . . 35 VAL CG1 . 15814 2 369 . 1 1 35 35 VAL CG2 C 13 23.194 0.000 1 2 . . . . 35 VAL CG2 . 15814 2 370 . 1 1 35 35 VAL N N 15 127.580 0.037 6 1 . . . . 35 VAL N . 15814 2 371 . 1 1 36 36 ASP H H 1 9.028 0.020 6 1 . . . . 36 ASP H . 15814 2 372 . 1 1 36 36 ASP HA H 1 5.140 0.001 2 1 . . . . 36 ASP HA . 15814 2 373 . 1 1 36 36 ASP HB2 H 1 3.362 0.007 2 2 . . . . 36 ASP HB2 . 15814 2 374 . 1 1 36 36 ASP HB3 H 1 2.217 0.004 2 2 . . . . 36 ASP HB3 . 15814 2 375 . 1 1 36 36 ASP C C 13 177.900 0.000 1 1 . . . . 36 ASP C . 15814 2 376 . 1 1 36 36 ASP CA C 13 54.295 0.000 1 1 . . . . 36 ASP CA . 15814 2 377 . 1 1 36 36 ASP CB C 13 43.361 0.070 3 1 . . . . 36 ASP CB . 15814 2 378 . 1 1 36 36 ASP N N 15 127.127 0.013 6 1 . . . . 36 ASP N . 15814 2 379 . 1 1 37 37 THR H H 1 7.527 0.020 6 1 . . . . 37 THR H . 15814 2 380 . 1 1 37 37 THR HA H 1 4.051 0.008 3 1 . . . . 37 THR HA . 15814 2 381 . 1 1 37 37 THR HB H 1 4.529 0.004 2 1 . . . . 37 THR HB . 15814 2 382 . 1 1 37 37 THR HG21 H 1 1.315 0.000 1 1 . . . . 37 THR HG21 . 15814 2 383 . 1 1 37 37 THR HG22 H 1 1.315 0.000 1 1 . . . . 37 THR HG22 . 15814 2 384 . 1 1 37 37 THR HG23 H 1 1.315 0.000 1 1 . . . . 37 THR HG23 . 15814 2 385 . 1 1 37 37 THR C C 13 175.600 0.000 1 1 . . . . 37 THR C . 15814 2 386 . 1 1 37 37 THR CA C 13 64.460 0.104 2 1 . . . . 37 THR CA . 15814 2 387 . 1 1 37 37 THR CB C 13 69.480 0.129 2 1 . . . . 37 THR CB . 15814 2 388 . 1 1 37 37 THR CG2 C 13 22.751 0.000 1 1 . . . . 37 THR CG2 . 15814 2 389 . 1 1 37 37 THR N N 15 104.590 0.042 6 1 . . . . 37 THR N . 15814 2 390 . 1 1 38 38 LYS H H 1 8.976 0.017 6 1 . . . . 38 LYS H . 15814 2 391 . 1 1 38 38 LYS HA H 1 4.475 0.008 2 1 . . . . 38 LYS HA . 15814 2 392 . 1 1 38 38 LYS HB2 H 1 1.966 0.000 1 2 . . . . 38 LYS HB2 . 15814 2 393 . 1 1 38 38 LYS HB3 H 1 1.966 0.025 . 2 . . . . 38 LYS HB3 . 15814 2 394 . 1 1 38 38 LYS HD2 H 1 1.3 0.025 . 2 . . . . 38 LYS HD2 . 15814 2 395 . 1 1 38 38 LYS HD3 H 1 1.3 0.025 . 2 . . . . 38 LYS HD3 . 15814 2 396 . 1 1 38 38 LYS HG2 H 1 0.601 0.025 . 2 . . . . 38 LYS HG2 . 15814 2 397 . 1 1 38 38 LYS HG3 H 1 0.601 0.025 . 2 . . . . 38 LYS HG3 . 15814 2 398 . 1 1 38 38 LYS C C 13 176.900 0.000 1 1 . . . . 38 LYS C . 15814 2 399 . 1 1 38 38 LYS CA C 13 55.375 0.000 1 1 . . . . 38 LYS CA . 15814 2 400 . 1 1 38 38 LYS CB C 13 32.361 0.000 1 1 . . . . 38 LYS CB . 15814 2 401 . 1 1 38 38 LYS CD C 13 29.248 0.000 1 1 . . . . 38 LYS CD . 15814 2 402 . 1 1 38 38 LYS CE C 13 42.752 0.000 1 1 . . . . 38 LYS CE . 15814 2 403 . 1 1 38 38 LYS CG C 13 25.101 0.000 1 1 . . . . 38 LYS CG . 15814 2 404 . 1 1 38 38 LYS N N 15 122.017 0.015 6 1 . . . . 38 LYS N . 15814 2 405 . 1 1 39 39 GLY H H 1 8.109 0.019 6 1 . . . . 39 GLY H . 15814 2 406 . 1 1 39 39 GLY HA2 H 1 3.853 0.001 2 2 . . . . 39 GLY HA2 . 15814 2 407 . 1 1 39 39 GLY HA3 H 1 2.990 0.004 2 2 . . . . 39 GLY HA3 . 15814 2 408 . 1 1 39 39 GLY C C 13 173.800 0.000 1 1 . . . . 39 GLY C . 15814 2 409 . 1 1 39 39 GLY CA C 13 45.612 0.000 1 1 . . . . 39 GLY CA . 15814 2 410 . 1 1 39 39 GLY N N 15 108.553 0.030 6 1 . . . . 39 GLY N . 15814 2 411 . 1 1 40 40 VAL H H 1 8.436 0.017 5 1 . . . . 40 VAL H . 15814 2 412 . 1 1 40 40 VAL HA H 1 4.021 0.003 3 1 . . . . 40 VAL HA . 15814 2 413 . 1 1 40 40 VAL HB H 1 2.429 0.006 2 1 . . . . 40 VAL HB . 15814 2 414 . 1 1 40 40 VAL HG11 H 1 1.003 0.000 1 2 . . . . 40 VAL HG11 . 15814 2 415 . 1 1 40 40 VAL HG12 H 1 1.003 0.000 1 2 . . . . 40 VAL HG12 . 15814 2 416 . 1 1 40 40 VAL HG13 H 1 1.003 0.000 1 2 . . . . 40 VAL HG13 . 15814 2 417 . 1 1 40 40 VAL HG21 H 1 0.787 0.000 1 2 . . . . 40 VAL HG21 . 15814 2 418 . 1 1 40 40 VAL HG22 H 1 0.787 0.000 1 2 . . . . 40 VAL HG22 . 15814 2 419 . 1 1 40 40 VAL HG23 H 1 0.787 0.000 1 2 . . . . 40 VAL HG23 . 15814 2 420 . 1 1 40 40 VAL C C 13 175.800 0.000 1 1 . . . . 40 VAL C . 15814 2 421 . 1 1 40 40 VAL CA C 13 62.287 0.066 2 1 . . . . 40 VAL CA . 15814 2 422 . 1 1 40 40 VAL CB C 13 32.407 0.086 2 1 . . . . 40 VAL CB . 15814 2 423 . 1 1 40 40 VAL CG1 C 13 21.658 0.000 1 2 . . . . 40 VAL CG1 . 15814 2 424 . 1 1 40 40 VAL CG2 C 13 22.082 0.000 1 2 . . . . 40 VAL CG2 . 15814 2 425 . 1 1 40 40 VAL N N 15 125.350 0.090 5 1 . . . . 40 VAL N . 15814 2 426 . 1 1 41 41 ALA H H 1 8.859 0.002 6 1 . . . . 41 ALA H . 15814 2 427 . 1 1 41 41 ALA HA H 1 4.553 0.228 2 1 . . . . 41 ALA HA . 15814 2 428 . 1 1 41 41 ALA HB1 H 1 1.129 0.417 2 1 . . . . 41 ALA HB1 . 15814 2 429 . 1 1 41 41 ALA HB2 H 1 1.129 0.417 2 1 . . . . 41 ALA HB2 . 15814 2 430 . 1 1 41 41 ALA HB3 H 1 1.129 0.417 2 1 . . . . 41 ALA HB3 . 15814 2 431 . 1 1 41 41 ALA C C 13 179.700 0.000 1 1 . . . . 41 ALA C . 15814 2 432 . 1 1 41 41 ALA CA C 13 54.602 0.016 2 1 . . . . 41 ALA CA . 15814 2 433 . 1 1 41 41 ALA CB C 13 18.657 0.082 2 1 . . . . 41 ALA CB . 15814 2 434 . 1 1 41 41 ALA N N 15 131.529 0.040 6 1 . . . . 41 ALA N . 15814 2 435 . 1 1 42 42 ARG H H 1 8.710 0.014 6 1 . . . . 42 ARG H . 15814 2 436 . 1 1 42 42 ARG HA H 1 4.454 0.030 2 1 . . . . 42 ARG HA . 15814 2 437 . 1 1 42 42 ARG HB2 H 1 2.086 0.025 . 2 . . . . 42 ARG HB2 . 15814 2 438 . 1 1 42 42 ARG HB3 H 1 2.086 0.025 . 2 . . . . 42 ARG HB3 . 15814 2 439 . 1 1 42 42 ARG HG2 H 1 1.565 0.025 . 2 . . . . 42 ARG HG2 . 15814 2 440 . 1 1 42 42 ARG HG3 H 1 1.565 0.025 . 2 . . . . 42 ARG HG3 . 15814 2 441 . 1 1 42 42 ARG C C 13 177.000 0.000 1 1 . . . . 42 ARG C . 15814 2 442 . 1 1 42 42 ARG CA C 13 55.657 0.000 1 1 . . . . 42 ARG CA . 15814 2 443 . 1 1 42 42 ARG CB C 13 29.619 0.000 1 1 . . . . 42 ARG CB . 15814 2 444 . 1 1 42 42 ARG N N 15 124.110 0.130 6 1 . . . . 42 ARG N . 15814 2 445 . 1 1 43 43 THR H H 1 8.397 0.007 6 1 . . . . 43 THR H . 15814 2 446 . 1 1 43 43 THR HA H 1 4.365 0.000 1 1 . . . . 43 THR HA . 15814 2 447 . 1 1 43 43 THR HB H 1 4.447 0.028 2 1 . . . . 43 THR HB . 15814 2 448 . 1 1 43 43 THR HG21 H 1 1.200 0.008 2 1 . . . . 43 THR HG21 . 15814 2 449 . 1 1 43 43 THR HG22 H 1 1.200 0.008 2 1 . . . . 43 THR HG22 . 15814 2 450 . 1 1 43 43 THR HG23 H 1 1.200 0.008 2 1 . . . . 43 THR HG23 . 15814 2 451 . 1 1 43 43 THR C C 13 174.000 0.000 1 1 . . . . 43 THR C . 15814 2 452 . 1 1 43 43 THR CA C 13 61.682 0.000 1 1 . . . . 43 THR CA . 15814 2 453 . 1 1 43 43 THR CB C 13 69.834 0.107 2 1 . . . . 43 THR CB . 15814 2 454 . 1 1 43 43 THR CG2 C 13 22.270 0.073 2 1 . . . . 43 THR CG2 . 15814 2 455 . 1 1 43 43 THR N N 15 106.995 0.042 6 1 . . . . 43 THR N . 15814 2 456 . 1 1 44 44 ASP H H 1 7.495 0.023 6 1 . . . . 44 ASP H . 15814 2 457 . 1 1 44 44 ASP HA H 1 4.266 0.011 2 1 . . . . 44 ASP HA . 15814 2 458 . 1 1 44 44 ASP HB2 H 1 2.791 0.000 1 2 . . . . 44 ASP HB2 . 15814 2 459 . 1 1 44 44 ASP HB3 H 1 2.791 0.025 . 2 . . . . 44 ASP HB3 . 15814 2 460 . 1 1 44 44 ASP C C 13 174.400 0.000 1 1 . . . . 44 ASP C . 15814 2 461 . 1 1 44 44 ASP CA C 13 52.969 0.000 1 1 . . . . 44 ASP CA . 15814 2 462 . 1 1 44 44 ASP CB C 13 41.938 0.000 1 1 . . . . 44 ASP CB . 15814 2 463 . 1 1 44 44 ASP N N 15 118.949 0.049 6 1 . . . . 44 ASP N . 15814 2 464 . 1 1 45 45 GLY H H 1 8.079 0.009 5 1 . . . . 45 GLY H . 15814 2 465 . 1 1 45 45 GLY HA2 H 1 4.678 0.014 2 2 . . . . 45 GLY HA2 . 15814 2 466 . 1 1 45 45 GLY HA3 H 1 4.405 0.000 1 2 . . . . 45 GLY HA3 . 15814 2 467 . 1 1 45 45 GLY C C 13 175.000 0.000 1 1 . . . . 45 GLY C . 15814 2 468 . 1 1 45 45 GLY CA C 13 45.511 0.017 1 1 . . . . 45 GLY CA . 15814 2 469 . 1 1 45 45 GLY N N 15 104.094 0.048 5 1 . . . . 45 GLY N . 15814 2 470 . 1 1 46 46 GLY H H 1 9.903 0.020 4 1 . . . . 46 GLY H . 15814 2 471 . 1 1 46 46 GLY HA2 H 1 4.129 0.007 2 2 . . . . 46 GLY HA2 . 15814 2 472 . 1 1 46 46 GLY HA3 H 1 3.705 0.026 2 2 . . . . 46 GLY HA3 . 15814 2 473 . 1 1 46 46 GLY C C 13 175.300 0.000 1 1 . . . . 46 GLY C . 15814 2 474 . 1 1 46 46 GLY N N 15 108.583 0.046 4 1 . . . . 46 GLY N . 15814 2 475 . 1 1 47 47 ASP H H 1 8.634 0.020 5 1 . . . . 47 ASP H . 15814 2 476 . 1 1 47 47 ASP HA H 1 5.165 0.073 2 1 . . . . 47 ASP HA . 15814 2 477 . 1 1 47 47 ASP HB2 H 1 2.888 0.025 . 2 . . . . 47 ASP HB2 . 15814 2 478 . 1 1 47 47 ASP HB3 H 1 1.931 0.025 . 2 . . . . 47 ASP HB3 . 15814 2 479 . 1 1 47 47 ASP C C 13 176.200 0.000 1 1 . . . . 47 ASP C . 15814 2 480 . 1 1 47 47 ASP CA C 13 52.296 0.120 2 1 . . . . 47 ASP CA . 15814 2 481 . 1 1 47 47 ASP CB C 13 41.866 0.000 1 1 . . . . 47 ASP CB . 15814 2 482 . 1 1 47 47 ASP N N 15 121.971 0.010 5 1 . . . . 47 ASP N . 15814 2 483 . 1 1 48 48 PRO HA H 1 4.687 0.000 1 1 . . . . 48 PRO HA . 15814 2 484 . 1 1 48 48 PRO HB2 H 1 2.292 0.000 1 2 . . . . 48 PRO HB2 . 15814 2 485 . 1 1 48 48 PRO HB3 H 1 1.747 0.000 1 2 . . . . 48 PRO HB3 . 15814 2 486 . 1 1 48 48 PRO C C 13 175.300 0.000 1 1 . . . . 48 PRO C . 15814 2 487 . 1 1 48 48 PRO CA C 13 63.065 0.000 0 1 . . . . 48 PRO CA . 15814 2 488 . 1 1 48 48 PRO CB C 13 28.228 0.000 1 1 . . . . 48 PRO CB . 15814 2 489 . 1 1 49 49 PHE H H 1 7.669 0.021 4 1 . . . . 49 PHE H . 15814 2 490 . 1 1 49 49 PHE HA H 1 4.701 0.000 1 1 . . . . 49 PHE HA . 15814 2 491 . 1 1 49 49 PHE HB2 H 1 2.449 0.006 2 2 . . . . 49 PHE HB2 . 15814 2 492 . 1 1 49 49 PHE HB3 H 1 1.985 0.009 2 2 . . . . 49 PHE HB3 . 15814 2 493 . 1 1 49 49 PHE HD1 H 1 7.187 0.025 . 3 . . . . 49 PHE HD1 . 15814 2 494 . 1 1 49 49 PHE HD2 H 1 7.187 0.025 . 3 . . . . 49 PHE HD2 . 15814 2 495 . 1 1 49 49 PHE HE1 H 1 6.393 0.025 . 3 . . . . 49 PHE HE1 . 15814 2 496 . 1 1 49 49 PHE HE2 H 1 6.393 0.025 . 3 . . . . 49 PHE HE2 . 15814 2 497 . 1 1 49 49 PHE HZ H 1 6.841 0.025 . 1 . . . . 49 PHE HZ . 15814 2 498 . 1 1 49 49 PHE C C 13 175.900 0.000 1 1 . . . . 49 PHE C . 15814 2 499 . 1 1 49 49 PHE CA C 13 59.968 0.000 1 1 . . . . 49 PHE CA . 15814 2 500 . 1 1 49 49 PHE CB C 13 41.026 0.090 3 1 . . . . 49 PHE CB . 15814 2 501 . 1 1 49 49 PHE CE1 C 13 118.4 0.025 . 3 . . . . 49 PHE CE1 . 15814 2 502 . 1 1 49 49 PHE CE2 C 13 118.4 0.025 . 3 . . . . 49 PHE CE2 . 15814 2 503 . 1 1 49 49 PHE CZ C 13 130.4 0.025 . 1 . . . . 49 PHE CZ . 15814 2 504 . 1 1 49 49 PHE N N 15 123.158 0.013 4 1 . . . . 49 PHE N . 15814 2 505 . 1 1 50 50 GLU H H 1 9.012 0.019 6 1 . . . . 50 GLU H . 15814 2 506 . 1 1 50 50 GLU HA H 1 4.590 0.003 2 1 . . . . 50 GLU HA . 15814 2 507 . 1 1 50 50 GLU HB2 H 1 1.924 0.000 1 2 . . . . 50 GLU HB2 . 15814 2 508 . 1 1 50 50 GLU HB3 H 1 1.766 0.000 1 2 . . . . 50 GLU HB3 . 15814 2 509 . 1 1 50 50 GLU C C 13 174.500 0.000 1 1 . . . . 50 GLU C . 15814 2 510 . 1 1 50 50 GLU CA C 13 55.321 0.000 1 1 . . . . 50 GLU CA . 15814 2 511 . 1 1 50 50 GLU CB C 13 33.345 0.000 1 1 . . . . 50 GLU CB . 15814 2 512 . 1 1 50 50 GLU CG C 13 37.140 0.000 1 1 . . . . 50 GLU CG . 15814 2 513 . 1 1 50 50 GLU N N 15 121.628 0.025 6 1 . . . . 50 GLU N . 15814 2 514 . 1 1 51 51 VAL H H 1 8.849 0.003 6 1 . . . . 51 VAL H . 15814 2 515 . 1 1 51 51 VAL HA H 1 4.654 0.010 3 1 . . . . 51 VAL HA . 15814 2 516 . 1 1 51 51 VAL HB H 1 1.791 0.002 2 1 . . . . 51 VAL HB . 15814 2 517 . 1 1 51 51 VAL HG11 H 1 0.839 0.000 1 2 . . . . 51 VAL HG11 . 15814 2 518 . 1 1 51 51 VAL HG12 H 1 0.839 0.000 1 2 . . . . 51 VAL HG12 . 15814 2 519 . 1 1 51 51 VAL HG13 H 1 0.839 0.000 1 2 . . . . 51 VAL HG13 . 15814 2 520 . 1 1 51 51 VAL HG21 H 1 0.787 0.000 1 2 . . . . 51 VAL HG21 . 15814 2 521 . 1 1 51 51 VAL HG22 H 1 0.787 0.000 1 2 . . . . 51 VAL HG22 . 15814 2 522 . 1 1 51 51 VAL HG23 H 1 0.787 0.000 1 2 . . . . 51 VAL HG23 . 15814 2 523 . 1 1 51 51 VAL C C 13 173.900 0.000 1 1 . . . . 51 VAL C . 15814 2 524 . 1 1 51 51 VAL CA C 13 61.785 0.142 2 1 . . . . 51 VAL CA . 15814 2 525 . 1 1 51 51 VAL CB C 13 34.428 0.159 2 1 . . . . 51 VAL CB . 15814 2 526 . 1 1 51 51 VAL CG1 C 13 22.081 0.000 1 2 . . . . 51 VAL CG1 . 15814 2 527 . 1 1 51 51 VAL CG2 C 13 22.082 0.000 1 2 . . . . 51 VAL CG2 . 15814 2 528 . 1 1 51 51 VAL N N 15 121.005 0.019 6 1 . . . . 51 VAL N . 15814 2 529 . 1 1 52 52 ALA H H 1 8.614 0.023 5 1 . . . . 52 ALA H . 15814 2 530 . 1 1 52 52 ALA HA H 1 4.880 0.006 2 1 . . . . 52 ALA HA . 15814 2 531 . 1 1 52 52 ALA HB1 H 1 1.340 0.013 2 1 . . . . 52 ALA HB1 . 15814 2 532 . 1 1 52 52 ALA HB2 H 1 1.340 0.013 2 1 . . . . 52 ALA HB2 . 15814 2 533 . 1 1 52 52 ALA HB3 H 1 1.340 0.013 2 1 . . . . 52 ALA HB3 . 15814 2 534 . 1 1 52 52 ALA C C 13 176.200 0.000 1 1 . . . . 52 ALA C . 15814 2 535 . 1 1 52 52 ALA CA C 13 51.335 0.012 2 1 . . . . 52 ALA CA . 15814 2 536 . 1 1 52 52 ALA CB C 13 21.544 0.213 2 1 . . . . 52 ALA CB . 15814 2 537 . 1 1 52 52 ALA N N 15 131.616 0.017 5 1 . . . . 52 ALA N . 15814 2 538 . 1 1 53 53 ILE H H 1 9.111 0.006 6 1 . . . . 53 ILE H . 15814 2 539 . 1 1 53 53 ILE HA H 1 5.154 0.002 3 1 . . . . 53 ILE HA . 15814 2 540 . 1 1 53 53 ILE HB H 1 1.764 0.006 2 1 . . . . 53 ILE HB . 15814 2 541 . 1 1 53 53 ILE HD11 H 1 -0.094 0.000 1 1 . . . . 53 ILE HD11 . 15814 2 542 . 1 1 53 53 ILE HD12 H 1 -0.094 0.000 1 1 . . . . 53 ILE HD12 . 15814 2 543 . 1 1 53 53 ILE HD13 H 1 -0.094 0.000 1 1 . . . . 53 ILE HD13 . 15814 2 544 . 1 1 53 53 ILE HG12 H 1 1.307 0.000 1 2 . . . . 53 ILE HG12 . 15814 2 545 . 1 1 53 53 ILE HG13 H 1 0.700 0.000 1 2 . . . . 53 ILE HG13 . 15814 2 546 . 1 1 53 53 ILE HG21 H 1 0.541 0.000 1 1 . . . . 53 ILE HG21 . 15814 2 547 . 1 1 53 53 ILE HG22 H 1 0.541 0.000 1 1 . . . . 53 ILE HG22 . 15814 2 548 . 1 1 53 53 ILE HG23 H 1 0.541 0.000 1 1 . . . . 53 ILE HG23 . 15814 2 549 . 1 1 53 53 ILE C C 13 174.100 0.000 1 1 . . . . 53 ILE C . 15814 2 550 . 1 1 53 53 ILE CA C 13 60.770 0.016 2 1 . . . . 53 ILE CA . 15814 2 551 . 1 1 53 53 ILE CB C 13 40.805 0.107 2 1 . . . . 53 ILE CB . 15814 2 552 . 1 1 53 53 ILE CD1 C 13 14.097 0.000 1 1 . . . . 53 ILE CD1 . 15814 2 553 . 1 1 53 53 ILE CG1 C 13 27.906 0.015 2 1 . . . . 53 ILE CG1 . 15814 2 554 . 1 1 53 53 ILE CG2 C 13 17.574 0.000 1 1 . . . . 53 ILE CG2 . 15814 2 555 . 1 1 53 53 ILE N N 15 124.672 0.028 6 1 . . . . 53 ILE N . 15814 2 556 . 1 1 54 54 ASN H H 1 8.717 0.024 6 1 . . . . 54 ASN H . 15814 2 557 . 1 1 54 54 ASN HA H 1 5.431 0.006 3 1 . . . . 54 ASN HA . 15814 2 558 . 1 1 54 54 ASN HB2 H 1 2.675 0.000 1 2 . . . . 54 ASN HB2 . 15814 2 559 . 1 1 54 54 ASN HB3 H 1 2.675 0.025 . 2 . . . . 54 ASN HB3 . 15814 2 560 . 1 1 54 54 ASN C C 13 175.200 0.000 1 1 . . . . 54 ASN C . 15814 2 561 . 1 1 54 54 ASN CA C 13 52.603 0.083 2 1 . . . . 54 ASN CA . 15814 2 562 . 1 1 54 54 ASN CB C 13 42.648 0.000 1 1 . . . . 54 ASN CB . 15814 2 563 . 1 1 54 54 ASN N N 15 126.043 0.026 6 1 . . . . 54 ASN N . 15814 2 564 . 1 1 55 55 GLY H H 1 9.367 0.010 6 1 . . . . 55 GLY H . 15814 2 565 . 1 1 55 55 GLY HA2 H 1 4.228 0.000 1 2 . . . . 55 GLY HA2 . 15814 2 566 . 1 1 55 55 GLY HA3 H 1 3.087 0.000 1 2 . . . . 55 GLY HA3 . 15814 2 567 . 1 1 55 55 GLY C C 13 170.200 0.000 1 1 . . . . 55 GLY C . 15814 2 568 . 1 1 55 55 GLY CA C 13 45.127 0.000 1 1 . . . . 55 GLY CA . 15814 2 569 . 1 1 55 55 GLY N N 15 112.224 0.049 6 1 . . . . 55 GLY N . 15814 2 570 . 1 1 56 56 PRO HA H 1 4.258 0.000 1 1 . . . . 56 PRO HA . 15814 2 571 . 1 1 56 56 PRO HB2 H 1 2.283 0.000 1 2 . . . . 56 PRO HB2 . 15814 2 572 . 1 1 56 56 PRO HB3 H 1 1.670 0.000 1 2 . . . . 56 PRO HB3 . 15814 2 573 . 1 1 56 56 PRO HG2 H 1 0.842 0.025 . 2 . . . . 56 PRO HG2 . 15814 2 574 . 1 1 56 56 PRO HG3 H 1 0.512 0.025 . 2 . . . . 56 PRO HG3 . 15814 2 575 . 1 1 56 56 PRO C C 13 177.300 0.000 1 1 . . . . 56 PRO C . 15814 2 576 . 1 1 56 56 PRO CA C 13 63.778 0.000 1 1 . . . . 56 PRO CA . 15814 2 577 . 1 1 56 56 PRO CB C 13 32.396 0.000 1 1 . . . . 56 PRO CB . 15814 2 578 . 1 1 57 57 ASP H H 1 8.907 0.004 6 1 . . . . 57 ASP H . 15814 2 579 . 1 1 57 57 ASP HA H 1 4.259 0.259 2 1 . . . . 57 ASP HA . 15814 2 580 . 1 1 57 57 ASP HB2 H 1 2.886 0.000 1 2 . . . . 57 ASP HB2 . 15814 2 581 . 1 1 57 57 ASP HB3 H 1 2.568 0.000 1 2 . . . . 57 ASP HB3 . 15814 2 582 . 1 1 57 57 ASP C C 13 176.100 0.000 1 1 . . . . 57 ASP C . 15814 2 583 . 1 1 57 57 ASP CA C 13 55.540 0.000 1 1 . . . . 57 ASP CA . 15814 2 584 . 1 1 57 57 ASP CB C 13 40.358 0.000 1 1 . . . . 57 ASP CB . 15814 2 585 . 1 1 57 57 ASP N N 15 119.839 0.033 6 1 . . . . 57 ASP N . 15814 2 586 . 1 1 58 58 GLY H H 1 8.129 0.014 6 1 . . . . 58 GLY H . 15814 2 587 . 1 1 58 58 GLY HA2 H 1 4.034 0.002 2 2 . . . . 58 GLY HA2 . 15814 2 588 . 1 1 58 58 GLY HA3 H 1 3.662 0.005 3 2 . . . . 58 GLY HA3 . 15814 2 589 . 1 1 58 58 GLY C C 13 174.600 0.000 1 1 . . . . 58 GLY C . 15814 2 590 . 1 1 58 58 GLY CA C 13 46.091 0.080 2 1 . . . . 58 GLY CA . 15814 2 591 . 1 1 58 58 GLY N N 15 104.866 0.052 6 1 . . . . 58 GLY N . 15814 2 592 . 1 1 59 59 LEU H H 1 7.146 0.022 5 1 . . . . 59 LEU H . 15814 2 593 . 1 1 59 59 LEU HA H 1 4.117 0.002 3 1 . . . . 59 LEU HA . 15814 2 594 . 1 1 59 59 LEU HB2 H 1 1.618 0.004 2 2 . . . . 59 LEU HB2 . 15814 2 595 . 1 1 59 59 LEU HB3 H 1 1.281 0.003 2 2 . . . . 59 LEU HB3 . 15814 2 596 . 1 1 59 59 LEU HD11 H 1 0.965 0.000 1 2 . . . . 59 LEU HD11 . 15814 2 597 . 1 1 59 59 LEU HD12 H 1 0.965 0.000 1 2 . . . . 59 LEU HD12 . 15814 2 598 . 1 1 59 59 LEU HD13 H 1 0.965 0.000 1 2 . . . . 59 LEU HD13 . 15814 2 599 . 1 1 59 59 LEU HD21 H 1 0.968 0.000 1 2 . . . . 59 LEU HD21 . 15814 2 600 . 1 1 59 59 LEU HD22 H 1 0.968 0.000 1 2 . . . . 59 LEU HD22 . 15814 2 601 . 1 1 59 59 LEU HD23 H 1 0.968 0.000 1 2 . . . . 59 LEU HD23 . 15814 2 602 . 1 1 59 59 LEU HG H 1 0.965 0.000 0 1 . . . . 59 LEU HG . 15814 2 603 . 1 1 59 59 LEU C C 13 176.200 0.000 1 1 . . . . 59 LEU C . 15814 2 604 . 1 1 59 59 LEU CA C 13 56.387 0.013 2 1 . . . . 59 LEU CA . 15814 2 605 . 1 1 59 59 LEU CB C 13 43.874 0.098 3 1 . . . . 59 LEU CB . 15814 2 606 . 1 1 59 59 LEU CD1 C 13 26.711 0.000 1 2 . . . . 59 LEU CD1 . 15814 2 607 . 1 1 59 59 LEU CD2 C 13 24.188 0.000 1 2 . . . . 59 LEU CD2 . 15814 2 608 . 1 1 59 59 LEU CG C 13 26.711 0.000 0 1 . . . . 59 LEU CG . 15814 2 609 . 1 1 59 59 LEU N N 15 123.213 0.033 5 1 . . . . 59 LEU N . 15814 2 610 . 1 1 60 60 VAL H H 1 8.609 0.003 6 1 . . . . 60 VAL H . 15814 2 611 . 1 1 60 60 VAL HA H 1 4.348 0.006 3 1 . . . . 60 VAL HA . 15814 2 612 . 1 1 60 60 VAL HB H 1 2.027 0.014 2 1 . . . . 60 VAL HB . 15814 2 613 . 1 1 60 60 VAL HG11 H 1 1.029 0.000 1 2 . . . . 60 VAL HG11 . 15814 2 614 . 1 1 60 60 VAL HG12 H 1 1.029 0.000 1 2 . . . . 60 VAL HG12 . 15814 2 615 . 1 1 60 60 VAL HG13 H 1 1.029 0.000 1 2 . . . . 60 VAL HG13 . 15814 2 616 . 1 1 60 60 VAL HG21 H 1 0.927 0.000 1 2 . . . . 60 VAL HG21 . 15814 2 617 . 1 1 60 60 VAL HG22 H 1 0.927 0.000 1 2 . . . . 60 VAL HG22 . 15814 2 618 . 1 1 60 60 VAL HG23 H 1 0.927 0.000 1 2 . . . . 60 VAL HG23 . 15814 2 619 . 1 1 60 60 VAL C C 13 176.000 0.000 1 1 . . . . 60 VAL C . 15814 2 620 . 1 1 60 60 VAL CA C 13 63.400 0.161 2 1 . . . . 60 VAL CA . 15814 2 621 . 1 1 60 60 VAL CB C 13 33.119 0.160 2 1 . . . . 60 VAL CB . 15814 2 622 . 1 1 60 60 VAL CG1 C 13 21.257 0.000 1 2 . . . . 60 VAL CG1 . 15814 2 623 . 1 1 60 60 VAL CG2 C 13 21.674 0.000 1 2 . . . . 60 VAL CG2 . 15814 2 624 . 1 1 60 60 VAL N N 15 129.008 0.074 6 1 . . . . 60 VAL N . 15814 2 625 . 1 1 61 61 VAL H H 1 8.049 0.010 6 1 . . . . 61 VAL H . 15814 2 626 . 1 1 61 61 VAL HA H 1 4.215 0.005 3 1 . . . . 61 VAL HA . 15814 2 627 . 1 1 61 61 VAL HB H 1 1.917 0.006 2 1 . . . . 61 VAL HB . 15814 2 628 . 1 1 61 61 VAL HG11 H 1 1.130 0.000 1 2 . . . . 61 VAL HG11 . 15814 2 629 . 1 1 61 61 VAL HG12 H 1 1.130 0.000 1 2 . . . . 61 VAL HG12 . 15814 2 630 . 1 1 61 61 VAL HG13 H 1 1.130 0.000 1 2 . . . . 61 VAL HG13 . 15814 2 631 . 1 1 61 61 VAL C C 13 174.600 0.000 1 1 . . . . 61 VAL C . 15814 2 632 . 1 1 61 61 VAL CA C 13 61.736 0.133 2 1 . . . . 61 VAL CA . 15814 2 633 . 1 1 61 61 VAL CB C 13 34.084 0.173 2 1 . . . . 61 VAL CB . 15814 2 634 . 1 1 61 61 VAL CG1 C 13 22.078 0.000 1 2 . . . . 61 VAL CG1 . 15814 2 635 . 1 1 61 61 VAL N N 15 128.794 0.112 6 1 . . . . 61 VAL N . 15814 2 636 . 1 1 62 62 ASP H H 1 8.931 0.001 6 1 . . . . 62 ASP H . 15814 2 637 . 1 1 62 62 ASP HA H 1 4.819 0.004 2 1 . . . . 62 ASP HA . 15814 2 638 . 1 1 62 62 ASP HB2 H 1 2.637 0.000 1 2 . . . . 62 ASP HB2 . 15814 2 639 . 1 1 62 62 ASP HB3 H 1 2.637 0.025 . 2 . . . . 62 ASP HB3 . 15814 2 640 . 1 1 62 62 ASP C C 13 175.100 0.000 1 1 . . . . 62 ASP C . 15814 2 641 . 1 1 62 62 ASP CA C 13 54.071 0.000 1 1 . . . . 62 ASP CA . 15814 2 642 . 1 1 62 62 ASP CB C 13 41.779 0.000 1 1 . . . . 62 ASP CB . 15814 2 643 . 1 1 62 62 ASP N N 15 127.716 0.044 6 1 . . . . 62 ASP N . 15814 2 644 . 1 1 63 63 ALA H H 1 8.733 0.008 6 1 . . . . 63 ALA H . 15814 2 645 . 1 1 63 63 ALA HA H 1 4.681 0.044 2 1 . . . . 63 ALA HA . 15814 2 646 . 1 1 63 63 ALA HB1 H 1 1.131 0.003 2 1 . . . . 63 ALA HB1 . 15814 2 647 . 1 1 63 63 ALA HB2 H 1 1.131 0.003 2 1 . . . . 63 ALA HB2 . 15814 2 648 . 1 1 63 63 ALA HB3 H 1 1.131 0.003 2 1 . . . . 63 ALA HB3 . 15814 2 649 . 1 1 63 63 ALA C C 13 176.400 0.000 1 1 . . . . 63 ALA C . 15814 2 650 . 1 1 63 63 ALA CA C 13 51.536 0.000 1 1 . . . . 63 ALA CA . 15814 2 651 . 1 1 63 63 ALA CB C 13 20.870 0.059 2 1 . . . . 63 ALA CB . 15814 2 652 . 1 1 63 63 ALA N N 15 127.685 0.039 6 1 . . . . 63 ALA N . 15814 2 653 . 1 1 64 64 LYS H H 1 8.869 0.021 6 1 . . . . 64 LYS H . 15814 2 654 . 1 1 64 64 LYS HA H 1 4.585 0.001 2 1 . . . . 64 LYS HA . 15814 2 655 . 1 1 64 64 LYS HB2 H 1 1.769 0.000 1 2 . . . . 64 LYS HB2 . 15814 2 656 . 1 1 64 64 LYS HB3 H 1 1.769 0.025 . 2 . . . . 64 LYS HB3 . 15814 2 657 . 1 1 64 64 LYS HD2 H 1 1.387 0.025 . 2 . . . . 64 LYS HD2 . 15814 2 658 . 1 1 64 64 LYS HD3 H 1 1.387 0.025 . 2 . . . . 64 LYS HD3 . 15814 2 659 . 1 1 64 64 LYS HG2 H 1 0.726 0.025 . 2 . . . . 64 LYS HG2 . 15814 2 660 . 1 1 64 64 LYS HG3 H 1 0.726 0.025 . 2 . . . . 64 LYS HG3 . 15814 2 661 . 1 1 64 64 LYS C C 13 175.800 0.000 1 1 . . . . 64 LYS C . 15814 2 662 . 1 1 64 64 LYS CA C 13 56.283 0.000 1 1 . . . . 64 LYS CA . 15814 2 663 . 1 1 64 64 LYS CB C 13 33.495 0.000 1 1 . . . . 64 LYS CB . 15814 2 664 . 1 1 64 64 LYS N N 15 123.262 0.053 6 1 . . . . 64 LYS N . 15814 2 665 . 1 1 65 65 VAL H H 1 8.857 0.004 4 1 . . . . 65 VAL H . 15814 2 666 . 1 1 65 65 VAL HA H 1 4.858 0.000 1 1 . . . . 65 VAL HA . 15814 2 667 . 1 1 65 65 VAL HB H 1 2.058 0.000 1 1 . . . . 65 VAL HB . 15814 2 668 . 1 1 65 65 VAL C C 13 176.300 0.000 1 1 . . . . 65 VAL C . 15814 2 669 . 1 1 65 65 VAL CA C 13 61.665 0.000 1 1 . . . . 65 VAL CA . 15814 2 670 . 1 1 65 65 VAL CB C 13 33.700 0.000 1 1 . . . . 65 VAL CB . 15814 2 671 . 1 1 65 65 VAL N N 15 128.801 0.105 4 1 . . . . 65 VAL N . 15814 2 672 . 1 1 66 66 THR H H 1 9.918 0.011 5 1 . . . . 66 THR H . 15814 2 673 . 1 1 66 66 THR HA H 1 4.408 0.007 3 1 . . . . 66 THR HA . 15814 2 674 . 1 1 66 66 THR HB H 1 3.895 0.013 3 1 . . . . 66 THR HB . 15814 2 675 . 1 1 66 66 THR HG21 H 1 1.026 0.000 2 1 . . . . 66 THR HG21 . 15814 2 676 . 1 1 66 66 THR HG22 H 1 1.026 0.000 2 1 . . . . 66 THR HG22 . 15814 2 677 . 1 1 66 66 THR HG23 H 1 1.026 0.000 2 1 . . . . 66 THR HG23 . 15814 2 678 . 1 1 66 66 THR C C 13 172.900 0.000 1 1 . . . . 66 THR C . 15814 2 679 . 1 1 66 66 THR CA C 13 62.228 0.000 1 1 . . . . 66 THR CA . 15814 2 680 . 1 1 66 66 THR CB C 13 71.175 0.114 2 1 . . . . 66 THR CB . 15814 2 681 . 1 1 66 66 THR CG2 C 13 21.640 0.000 1 1 . . . . 66 THR CG2 . 15814 2 682 . 1 1 66 66 THR N N 15 126.497 0.045 5 1 . . . . 66 THR N . 15814 2 683 . 1 1 67 67 ASP H H 1 8.851 0.003 6 1 . . . . 67 ASP H . 15814 2 684 . 1 1 67 67 ASP HA H 1 4.268 0.204 3 1 . . . . 67 ASP HA . 15814 2 685 . 1 1 67 67 ASP HB2 H 1 3.036 0.000 1 2 . . . . 67 ASP HB2 . 15814 2 686 . 1 1 67 67 ASP HB3 H 1 2.769 0.000 1 2 . . . . 67 ASP HB3 . 15814 2 687 . 1 1 67 67 ASP C C 13 176.200 0.000 1 1 . . . . 67 ASP C . 15814 2 688 . 1 1 67 67 ASP CA C 13 53.688 0.000 1 1 . . . . 67 ASP CA . 15814 2 689 . 1 1 67 67 ASP CB C 13 41.427 0.000 1 1 . . . . 67 ASP CB . 15814 2 690 . 1 1 67 67 ASP N N 15 126.808 0.029 6 1 . . . . 67 ASP N . 15814 2 691 . 1 1 68 68 ASN H H 1 7.471 0.019 5 1 . . . . 68 ASN H . 15814 2 692 . 1 1 68 68 ASN HA H 1 4.513 0.000 1 1 . . . . 68 ASN HA . 15814 2 693 . 1 1 68 68 ASN HB2 H 1 2.754 0.000 1 2 . . . . 68 ASN HB2 . 15814 2 694 . 1 1 68 68 ASN HB3 H 1 2.635 0.000 1 2 . . . . 68 ASN HB3 . 15814 2 695 . 1 1 68 68 ASN C C 13 174.600 0.000 1 1 . . . . 68 ASN C . 15814 2 696 . 1 1 68 68 ASN CA C 13 54.507 0.000 1 1 . . . . 68 ASN CA . 15814 2 697 . 1 1 68 68 ASN CB C 13 38.008 0.000 1 1 . . . . 68 ASN CB . 15814 2 698 . 1 1 68 68 ASN N N 15 125.076 0.018 5 1 . . . . 68 ASN N . 15814 2 699 . 1 1 69 69 ASN H H 1 9.490 0.023 4 1 . . . . 69 ASN H . 15814 2 700 . 1 1 69 69 ASN HA H 1 4.042 0.004 2 1 . . . . 69 ASN HA . 15814 2 701 . 1 1 69 69 ASN HB2 H 1 3.074 0.000 1 2 . . . . 69 ASN HB2 . 15814 2 702 . 1 1 69 69 ASN HB3 H 1 2.685 0.000 1 2 . . . . 69 ASN HB3 . 15814 2 703 . 1 1 69 69 ASN C C 13 173.200 0.000 1 1 . . . . 69 ASN C . 15814 2 704 . 1 1 69 69 ASN CA C 13 54.77 0.025 . 1 . . . . 69 ASN CA . 15814 2 705 . 1 1 69 69 ASN CB C 13 37.65 0.025 . 1 . . . . 69 ASN CB . 15814 2 706 . 1 1 69 69 ASN N N 15 117.188 0.039 4 1 . . . . 69 ASN N . 15814 2 707 . 1 1 70 70 ASP H H 1 7.795 0.028 6 1 . . . . 70 ASP H . 15814 2 708 . 1 1 70 70 ASP HA H 1 4.664 0.062 2 1 . . . . 70 ASP HA . 15814 2 709 . 1 1 70 70 ASP HB2 H 1 2.935 0.000 1 2 . . . . 70 ASP HB2 . 15814 2 710 . 1 1 70 70 ASP HB3 H 1 2.296 0.000 1 2 . . . . 70 ASP HB3 . 15814 2 711 . 1 1 70 70 ASP C C 13 175.600 0.000 1 1 . . . . 70 ASP C . 15814 2 712 . 1 1 70 70 ASP CA C 13 53.177 0.000 1 1 . . . . 70 ASP CA . 15814 2 713 . 1 1 70 70 ASP CB C 13 41.593 0.000 1 1 . . . . 70 ASP CB . 15814 2 714 . 1 1 70 70 ASP N N 15 116.040 0.056 6 1 . . . . 70 ASP N . 15814 2 715 . 1 1 71 71 GLY H H 1 8.170 0.021 6 1 . . . . 71 GLY H . 15814 2 716 . 1 1 71 71 GLY HA2 H 1 4.453 0.007 2 2 . . . . 71 GLY HA2 . 15814 2 717 . 1 1 71 71 GLY HA3 H 1 3.519 0.007 3 2 . . . . 71 GLY HA3 . 15814 2 718 . 1 1 71 71 GLY C C 13 172.500 0.000 1 1 . . . . 71 GLY C . 15814 2 719 . 1 1 71 71 GLY CA C 13 45.630 0.040 2 1 . . . . 71 GLY CA . 15814 2 720 . 1 1 71 71 GLY N N 15 109.921 0.049 6 1 . . . . 71 GLY N . 15814 2 721 . 1 1 72 72 THR H H 1 8.020 0.027 5 1 . . . . 72 THR H . 15814 2 722 . 1 1 72 72 THR HA H 1 5.568 0.005 3 1 . . . . 72 THR HA . 15814 2 723 . 1 1 72 72 THR HB H 1 3.501 0.003 2 1 . . . . 72 THR HB . 15814 2 724 . 1 1 72 72 THR HG21 H 1 0.936 0.000 1 1 . . . . 72 THR HG21 . 15814 2 725 . 1 1 72 72 THR HG22 H 1 0.936 0.000 1 1 . . . . 72 THR HG22 . 15814 2 726 . 1 1 72 72 THR HG23 H 1 0.936 0.000 1 1 . . . . 72 THR HG23 . 15814 2 727 . 1 1 72 72 THR C C 13 175.200 0.000 1 1 . . . . 72 THR C . 15814 2 728 . 1 1 72 72 THR CA C 13 59.855 0.109 2 1 . . . . 72 THR CA . 15814 2 729 . 1 1 72 72 THR CB C 13 73.354 0.112 2 1 . . . . 72 THR CB . 15814 2 730 . 1 1 72 72 THR CG2 C 13 22.777 0.000 1 1 . . . . 72 THR CG2 . 15814 2 731 . 1 1 72 72 THR N N 15 108.778 0.040 5 1 . . . . 72 THR N . 15814 2 732 . 1 1 73 73 TYR H H 1 8.696 0.014 6 1 . . . . 73 TYR H . 15814 2 733 . 1 1 73 73 TYR HA H 1 5.029 0.335 2 1 . . . . 73 TYR HA . 15814 2 734 . 1 1 73 73 TYR HB2 H 1 2.535 0.000 1 2 . . . . 73 TYR HB2 . 15814 2 735 . 1 1 73 73 TYR HB3 H 1 2.408 0.000 1 2 . . . . 73 TYR HB3 . 15814 2 736 . 1 1 73 73 TYR HD1 H 1 6.765 0.025 . 3 . . . . 73 TYR HD1 . 15814 2 737 . 1 1 73 73 TYR HD2 H 1 6.604 0.025 . 3 . . . . 73 TYR HD2 . 15814 2 738 . 1 1 73 73 TYR HE1 H 1 6.835 0.025 . 3 . . . . 73 TYR HE1 . 15814 2 739 . 1 1 73 73 TYR HE2 H 1 6.668 0.025 . 3 . . . . 73 TYR HE2 . 15814 2 740 . 1 1 73 73 TYR C C 13 175.700 0.000 1 1 . . . . 73 TYR C . 15814 2 741 . 1 1 73 73 TYR CA C 13 56.571 0.000 1 1 . . . . 73 TYR CA . 15814 2 742 . 1 1 73 73 TYR CB C 13 40.641 0.000 1 1 . . . . 73 TYR CB . 15814 2 743 . 1 1 73 73 TYR CD1 C 13 132.7 0.025 . 3 . . . . 73 TYR CD1 . 15814 2 744 . 1 1 73 73 TYR CD2 C 13 131.7 0.025 . 3 . . . . 73 TYR CD2 . 15814 2 745 . 1 1 73 73 TYR CE1 C 13 118.1 0.025 . 3 . . . . 73 TYR CE1 . 15814 2 746 . 1 1 73 73 TYR CE2 C 13 117.3 0.025 . 3 . . . . 73 TYR CE2 . 15814 2 747 . 1 1 73 73 TYR N N 15 120.074 0.128 6 1 . . . . 73 TYR N . 15814 2 748 . 1 1 74 74 GLY H H 1 9.166 0.015 6 1 . . . . 74 GLY H . 15814 2 749 . 1 1 74 74 GLY HA2 H 1 4.391 0.002 2 2 . . . . 74 GLY HA2 . 15814 2 750 . 1 1 74 74 GLY HA3 H 1 3.726 0.005 3 2 . . . . 74 GLY HA3 . 15814 2 751 . 1 1 74 74 GLY C C 13 172.800 0.000 1 1 . . . . 74 GLY C . 15814 2 752 . 1 1 74 74 GLY CA C 13 46.042 0.080 2 1 . . . . 74 GLY CA . 15814 2 753 . 1 1 74 74 GLY N N 15 112.432 0.050 6 1 . . . . 74 GLY N . 15814 2 754 . 1 1 75 75 VAL H H 1 8.767 0.021 5 1 . . . . 75 VAL H . 15814 2 755 . 1 1 75 75 VAL HA H 1 4.872 0.010 3 1 . . . . 75 VAL HA . 15814 2 756 . 1 1 75 75 VAL HB H 1 0.130 0.005 2 1 . . . . 75 VAL HB . 15814 2 757 . 1 1 75 75 VAL HG11 H 1 0.450 0.000 1 2 . . . . 75 VAL HG11 . 15814 2 758 . 1 1 75 75 VAL HG12 H 1 0.450 0.000 1 2 . . . . 75 VAL HG12 . 15814 2 759 . 1 1 75 75 VAL HG13 H 1 0.450 0.000 1 2 . . . . 75 VAL HG13 . 15814 2 760 . 1 1 75 75 VAL HG21 H 1 0.387 0.000 1 2 . . . . 75 VAL HG21 . 15814 2 761 . 1 1 75 75 VAL HG22 H 1 0.387 0.000 1 2 . . . . 75 VAL HG22 . 15814 2 762 . 1 1 75 75 VAL HG23 H 1 0.387 0.000 1 2 . . . . 75 VAL HG23 . 15814 2 763 . 1 1 75 75 VAL C C 13 175.200 0.000 1 1 . . . . 75 VAL C . 15814 2 764 . 1 1 75 75 VAL CA C 13 61.315 0.097 2 1 . . . . 75 VAL CA . 15814 2 765 . 1 1 75 75 VAL CB C 13 33.380 0.073 2 1 . . . . 75 VAL CB . 15814 2 766 . 1 1 75 75 VAL CG1 C 13 23.788 0.000 1 2 . . . . 75 VAL CG1 . 15814 2 767 . 1 1 75 75 VAL CG2 C 13 22.635 0.000 1 2 . . . . 75 VAL CG2 . 15814 2 768 . 1 1 75 75 VAL N N 15 124.094 0.038 5 1 . . . . 75 VAL N . 15814 2 769 . 1 1 76 76 VAL H H 1 8.390 0.020 6 1 . . . . 76 VAL H . 15814 2 770 . 1 1 76 76 VAL HA H 1 5.345 0.003 3 1 . . . . 76 VAL HA . 15814 2 771 . 1 1 76 76 VAL HB H 1 1.804 0.006 2 1 . . . . 76 VAL HB . 15814 2 772 . 1 1 76 76 VAL HG11 H 1 0.897 0.000 1 2 . . . . 76 VAL HG11 . 15814 2 773 . 1 1 76 76 VAL HG12 H 1 0.897 0.000 1 2 . . . . 76 VAL HG12 . 15814 2 774 . 1 1 76 76 VAL HG13 H 1 0.897 0.000 1 2 . . . . 76 VAL HG13 . 15814 2 775 . 1 1 76 76 VAL HG21 H 1 0.859 0.000 1 2 . . . . 76 VAL HG21 . 15814 2 776 . 1 1 76 76 VAL HG22 H 1 0.859 0.000 1 2 . . . . 76 VAL HG22 . 15814 2 777 . 1 1 76 76 VAL HG23 H 1 0.859 0.000 1 2 . . . . 76 VAL HG23 . 15814 2 778 . 1 1 76 76 VAL C C 13 174.800 0.000 1 1 . . . . 76 VAL C . 15814 2 779 . 1 1 76 76 VAL CA C 13 60.478 0.038 2 1 . . . . 76 VAL CA . 15814 2 780 . 1 1 76 76 VAL CB C 13 35.918 0.103 2 1 . . . . 76 VAL CB . 15814 2 781 . 1 1 76 76 VAL CG1 C 13 22.332 0.000 1 2 . . . . 76 VAL CG1 . 15814 2 782 . 1 1 76 76 VAL CG2 C 13 21.532 0.000 1 2 . . . . 76 VAL CG2 . 15814 2 783 . 1 1 76 76 VAL N N 15 126.333 0.058 6 1 . . . . 76 VAL N . 15814 2 784 . 1 1 77 77 TYR H H 1 9.340 0.012 6 1 . . . . 77 TYR H . 15814 2 785 . 1 1 77 77 TYR HA H 1 5.041 0.011 3 1 . . . . 77 TYR HA . 15814 2 786 . 1 1 77 77 TYR HB2 H 1 2.770 0.000 1 2 . . . . 77 TYR HB2 . 15814 2 787 . 1 1 77 77 TYR HB3 H 1 2.643 0.000 1 2 . . . . 77 TYR HB3 . 15814 2 788 . 1 1 77 77 TYR HD1 H 1 6.555 0.025 . 3 . . . . 77 TYR HD1 . 15814 2 789 . 1 1 77 77 TYR HD2 H 1 6.555 0.025 . 3 . . . . 77 TYR HD2 . 15814 2 790 . 1 1 77 77 TYR HE1 H 1 6.156 0.025 . 3 . . . . 77 TYR HE1 . 15814 2 791 . 1 1 77 77 TYR HE2 H 1 6.156 0.025 . 3 . . . . 77 TYR HE2 . 15814 2 792 . 1 1 77 77 TYR HH H 1 7.907 0.025 . 1 . . . . 77 TYR HH . 15814 2 793 . 1 1 77 77 TYR C C 13 171.000 0.000 1 1 . . . . 77 TYR C . 15814 2 794 . 1 1 77 77 TYR CA C 13 56.558 0.139 2 1 . . . . 77 TYR CA . 15814 2 795 . 1 1 77 77 TYR CB C 13 41.816 0.000 1 1 . . . . 77 TYR CB . 15814 2 796 . 1 1 77 77 TYR CD1 C 13 133.5 0.025 . 3 . . . . 77 TYR CD1 . 15814 2 797 . 1 1 77 77 TYR CD2 C 13 133.5 0.025 . 3 . . . . 77 TYR CD2 . 15814 2 798 . 1 1 77 77 TYR CE1 C 13 117.0 0.025 . 3 . . . . 77 TYR CE1 . 15814 2 799 . 1 1 77 77 TYR CE2 C 13 117.0 0.025 . 1 . . . . 77 TYR CE2 . 15814 2 800 . 1 1 77 77 TYR N N 15 124.091 0.045 6 1 . . . . 77 TYR N . 15814 2 801 . 1 1 78 78 ASP H H 1 8.211 0.007 6 1 . . . . 78 ASP H . 15814 2 802 . 1 1 78 78 ASP HA H 1 4.691 0.012 2 1 . . . . 78 ASP HA . 15814 2 803 . 1 1 78 78 ASP HB2 H 1 2.414 0.000 1 2 . . . . 78 ASP HB2 . 15814 2 804 . 1 1 78 78 ASP HB3 H 1 2.414 0.025 . 2 . . . . 78 ASP HB3 . 15814 2 805 . 1 1 78 78 ASP C C 13 173.700 0.000 1 1 . . . . 78 ASP C . 15814 2 806 . 1 1 78 78 ASP CA C 13 53.657 0.000 1 1 . . . . 78 ASP CA . 15814 2 807 . 1 1 78 78 ASP CB C 13 43.583 0.000 1 1 . . . . 78 ASP CB . 15814 2 808 . 1 1 78 78 ASP N N 15 119.351 0.011 6 1 . . . . 78 ASP N . 15814 2 809 . 1 1 79 79 ALA H H 1 8.782 0.020 6 1 . . . . 79 ALA H . 15814 2 810 . 1 1 79 79 ALA HA H 1 3.768 0.488 2 1 . . . . 79 ALA HA . 15814 2 811 . 1 1 79 79 ALA HB1 H 1 1.464 0.000 1 1 . . . . 79 ALA HB1 . 15814 2 812 . 1 1 79 79 ALA HB2 H 1 1.464 0.000 1 1 . . . . 79 ALA HB2 . 15814 2 813 . 1 1 79 79 ALA HB3 H 1 1.464 0.000 1 1 . . . . 79 ALA HB3 . 15814 2 814 . 1 1 79 79 ALA C C 13 174.800 0.000 1 1 . . . . 79 ALA C . 15814 2 815 . 1 1 79 79 ALA CA C 13 51.329 2.657 2 1 . . . . 79 ALA CA . 15814 2 816 . 1 1 79 79 ALA CB C 13 19.596 0.006 2 1 . . . . 79 ALA CB . 15814 2 817 . 1 1 79 79 ALA N N 15 127.593 0.081 6 1 . . . . 79 ALA N . 15814 2 818 . 1 1 80 80 PRO HA H 1 4.548 0.004 2 1 . . . . 80 PRO HA . 15814 2 819 . 1 1 80 80 PRO HB2 H 1 2.268 0.001 2 2 . . . . 80 PRO HB2 . 15814 2 820 . 1 1 80 80 PRO HB3 H 1 2.035 0.000 1 2 . . . . 80 PRO HB3 . 15814 2 821 . 1 1 80 80 PRO HG2 H 1 0.935 0.025 . 2 . . . . 80 PRO HG2 . 15814 2 822 . 1 1 80 80 PRO HG3 H 1 0.935 0.025 . 2 . . . . 80 PRO HG3 . 15814 2 823 . 1 1 80 80 PRO C C 13 176.700 0.000 1 1 . . . . 80 PRO C . 15814 2 824 . 1 1 80 80 PRO CA C 13 64.847 0.000 1 1 . . . . 80 PRO CA . 15814 2 825 . 1 1 80 80 PRO CB C 13 33.064 0.000 1 1 . . . . 80 PRO CB . 15814 2 826 . 1 1 81 81 VAL H H 1 6.898 0.013 6 1 . . . . 81 VAL H . 15814 2 827 . 1 1 81 81 VAL HA H 1 4.671 0.041 3 1 . . . . 81 VAL HA . 15814 2 828 . 1 1 81 81 VAL HB H 1 1.998 0.008 2 1 . . . . 81 VAL HB . 15814 2 829 . 1 1 81 81 VAL HG11 H 1 0.980 0.000 1 2 . . . . 81 VAL HG11 . 15814 2 830 . 1 1 81 81 VAL HG12 H 1 0.980 0.000 1 2 . . . . 81 VAL HG12 . 15814 2 831 . 1 1 81 81 VAL HG13 H 1 0.980 0.000 1 2 . . . . 81 VAL HG13 . 15814 2 832 . 1 1 81 81 VAL HG21 H 1 0.947 0.000 1 2 . . . . 81 VAL HG21 . 15814 2 833 . 1 1 81 81 VAL HG22 H 1 0.947 0.000 1 2 . . . . 81 VAL HG22 . 15814 2 834 . 1 1 81 81 VAL HG23 H 1 0.947 0.000 1 2 . . . . 81 VAL HG23 . 15814 2 835 . 1 1 81 81 VAL C C 13 175.200 0.000 1 1 . . . . 81 VAL C . 15814 2 836 . 1 1 81 81 VAL CA C 13 59.668 0.009 2 1 . . . . 81 VAL CA . 15814 2 837 . 1 1 81 81 VAL CB C 13 36.210 0.127 2 1 . . . . 81 VAL CB . 15814 2 838 . 1 1 81 81 VAL CG1 C 13 21.115 0.000 1 2 . . . . 81 VAL CG1 . 15814 2 839 . 1 1 81 81 VAL CG2 C 13 21.105 0.000 1 2 . . . . 81 VAL CG2 . 15814 2 840 . 1 1 81 81 VAL N N 15 113.194 0.087 6 1 . . . . 81 VAL N . 15814 2 841 . 1 1 82 82 GLU H H 1 9.111 0.009 6 1 . . . . 82 GLU H . 15814 2 842 . 1 1 82 82 GLU HA H 1 4.144 0.008 2 1 . . . . 82 GLU HA . 15814 2 843 . 1 1 82 82 GLU HB2 H 1 2.179 0.000 1 2 . . . . 82 GLU HB2 . 15814 2 844 . 1 1 82 82 GLU HB3 H 1 1.970 0.000 1 2 . . . . 82 GLU HB3 . 15814 2 845 . 1 1 82 82 GLU HG2 H 1 0.458 0.025 . 2 . . . . 82 GLU HG2 . 15814 2 846 . 1 1 82 82 GLU HG3 H 1 0.458 0.025 . 2 . . . . 82 GLU HG3 . 15814 2 847 . 1 1 82 82 GLU C C 13 174.100 0.000 1 1 . . . . 82 GLU C . 15814 2 848 . 1 1 82 82 GLU CA C 13 57.846 0.000 1 1 . . . . 82 GLU CA . 15814 2 849 . 1 1 82 82 GLU CB C 13 30.466 0.000 1 1 . . . . 82 GLU CB . 15814 2 850 . 1 1 82 82 GLU CG C 13 35.951 0.000 1 1 . . . . 82 GLU CG . 15814 2 851 . 1 1 82 82 GLU N N 15 126.516 0.026 6 1 . . . . 82 GLU N . 15814 2 852 . 1 1 83 83 GLY H H 1 8.303 0.016 6 1 . . . . 83 GLY H . 15814 2 853 . 1 1 83 83 GLY HA2 H 1 4.517 0.008 2 2 . . . . 83 GLY HA2 . 15814 2 854 . 1 1 83 83 GLY HA3 H 1 3.766 0.006 3 2 . . . . 83 GLY HA3 . 15814 2 855 . 1 1 83 83 GLY C C 13 171.900 0.000 1 1 . . . . 83 GLY C . 15814 2 856 . 1 1 83 83 GLY CA C 13 44.237 0.152 2 1 . . . . 83 GLY CA . 15814 2 857 . 1 1 83 83 GLY N N 15 107.414 0.038 6 1 . . . . 83 GLY N . 15814 2 858 . 1 1 84 84 ASN H H 1 8.517 0.004 5 1 . . . . 84 ASN H . 15814 2 859 . 1 1 84 84 ASN HA H 1 5.075 0.000 2 1 . . . . 84 ASN HA . 15814 2 860 . 1 1 84 84 ASN HB2 H 1 2.590 0.000 1 2 . . . . 84 ASN HB2 . 15814 2 861 . 1 1 84 84 ASN HB3 H 1 2.393 0.000 1 2 . . . . 84 ASN HB3 . 15814 2 862 . 1 1 84 84 ASN C C 13 174.500 0.000 1 1 . . . . 84 ASN C . 15814 2 863 . 1 1 84 84 ASN CA C 13 54.688 0.000 1 1 . . . . 84 ASN CA . 15814 2 864 . 1 1 84 84 ASN CB C 13 41.341 0.000 1 1 . . . . 84 ASN CB . 15814 2 865 . 1 1 84 84 ASN N N 15 119.448 0.023 5 1 . . . . 84 ASN N . 15814 2 866 . 1 1 85 85 TYR H H 1 9.563 0.018 6 1 . . . . 85 TYR H . 15814 2 867 . 1 1 85 85 TYR HA H 1 4.725 0.013 2 1 . . . . 85 TYR HA . 15814 2 868 . 1 1 85 85 TYR HB2 H 1 2.978 0.000 0 2 . . . . 85 TYR HB2 . 15814 2 869 . 1 1 85 85 TYR HB3 H 1 2.256 0.000 0 2 . . . . 85 TYR HB3 . 15814 2 870 . 1 1 85 85 TYR HD1 H 1 7.388 0.025 . 3 . . . . 85 TYR HD1 . 15814 2 871 . 1 1 85 85 TYR HD2 H 1 7.293 0.025 . 3 . . . . 85 TYR HD2 . 15814 2 872 . 1 1 85 85 TYR HE1 H 1 7.019 0.025 . 3 . . . . 85 TYR HE1 . 15814 2 873 . 1 1 85 85 TYR HE2 H 1 7.019 0.025 . 3 . . . . 85 TYR HE2 . 15814 2 874 . 1 1 85 85 TYR C C 13 173.600 0.000 1 1 . . . . 85 TYR C . 15814 2 875 . 1 1 85 85 TYR CA C 13 57.468 0.000 1 1 . . . . 85 TYR CA . 15814 2 876 . 1 1 85 85 TYR CB C 13 39.830 0.000 1 1 . . . . 85 TYR CB . 15814 2 877 . 1 1 85 85 TYR CD1 C 13 131.7 0.025 . 3 . . . . 85 TYR CD1 . 15814 2 878 . 1 1 85 85 TYR CD2 C 13 132.1 0.025 . 3 . . . . 85 TYR CD2 . 15814 2 879 . 1 1 85 85 TYR CE1 C 13 119.7 0.025 . 3 . . . . 85 TYR CE1 . 15814 2 880 . 1 1 85 85 TYR CE2 C 13 119.7 0.025 . 3 . . . . 85 TYR CE2 . 15814 2 881 . 1 1 85 85 TYR N N 15 124.877 0.049 6 1 . . . . 85 TYR N . 15814 2 882 . 1 1 86 86 ASN H H 1 8.981 0.022 6 1 . . . . 86 ASN H . 15814 2 883 . 1 1 86 86 ASN HA H 1 5.339 0.004 3 1 . . . . 86 ASN HA . 15814 2 884 . 1 1 86 86 ASN HB2 H 1 2.624 0.000 1 2 . . . . 86 ASN HB2 . 15814 2 885 . 1 1 86 86 ASN HB3 H 1 2.624 0.025 . 2 . . . . 86 ASN HB3 . 15814 2 886 . 1 1 86 86 ASN HD22 H 1 5.902 0.000 1 2 . . . . 86 ASN HD22 . 15814 2 887 . 1 1 86 86 ASN C C 13 173.500 0.000 1 1 . . . . 86 ASN C . 15814 2 888 . 1 1 86 86 ASN CA C 13 53.683 0.129 2 1 . . . . 86 ASN CA . 15814 2 889 . 1 1 86 86 ASN CB C 13 42.515 0.000 1 1 . . . . 86 ASN CB . 15814 2 890 . 1 1 86 86 ASN N N 15 122.948 0.027 6 1 . . . . 86 ASN N . 15814 2 891 . 1 1 86 86 ASN ND2 N 15 111.826 0.000 1 1 . . . . 86 ASN ND2 . 15814 2 892 . 1 1 87 87 VAL H H 1 9.474 0.015 6 1 . . . . 87 VAL H . 15814 2 893 . 1 1 87 87 VAL HA H 1 4.211 0.005 3 1 . . . . 87 VAL HA . 15814 2 894 . 1 1 87 87 VAL HB H 1 1.842 0.001 2 1 . . . . 87 VAL HB . 15814 2 895 . 1 1 87 87 VAL HG11 H 1 0.617 0.000 1 2 . . . . 87 VAL HG11 . 15814 2 896 . 1 1 87 87 VAL HG12 H 1 0.617 0.000 1 2 . . . . 87 VAL HG12 . 15814 2 897 . 1 1 87 87 VAL HG13 H 1 0.617 0.000 1 2 . . . . 87 VAL HG13 . 15814 2 898 . 1 1 87 87 VAL HG21 H 1 0.470 0.000 1 2 . . . . 87 VAL HG21 . 15814 2 899 . 1 1 87 87 VAL HG22 H 1 0.470 0.000 1 2 . . . . 87 VAL HG22 . 15814 2 900 . 1 1 87 87 VAL HG23 H 1 0.470 0.000 1 2 . . . . 87 VAL HG23 . 15814 2 901 . 1 1 87 87 VAL C C 13 173.000 0.000 1 1 . . . . 87 VAL C . 15814 2 902 . 1 1 87 87 VAL CA C 13 62.377 0.042 2 1 . . . . 87 VAL CA . 15814 2 903 . 1 1 87 87 VAL CB C 13 33.585 0.216 2 1 . . . . 87 VAL CB . 15814 2 904 . 1 1 87 87 VAL CG1 C 13 20.624 0.000 1 2 . . . . 87 VAL CG1 . 15814 2 905 . 1 1 87 87 VAL CG2 C 13 21.311 0.000 1 2 . . . . 87 VAL CG2 . 15814 2 906 . 1 1 87 87 VAL N N 15 128.755 0.044 6 1 . . . . 87 VAL N . 15814 2 907 . 1 1 88 88 ASN H H 1 8.921 0.017 5 1 . . . . 88 ASN H . 15814 2 908 . 1 1 88 88 ASN HA H 1 5.264 0.028 2 1 . . . . 88 ASN HA . 15814 2 909 . 1 1 88 88 ASN HB2 H 1 2.904 0.000 1 2 . . . . 88 ASN HB2 . 15814 2 910 . 1 1 88 88 ASN HB3 H 1 2.467 0.000 1 2 . . . . 88 ASN HB3 . 15814 2 911 . 1 1 88 88 ASN HD22 H 1 5.831 0.000 1 1 . . . . 88 ASN HD22 . 15814 2 912 . 1 1 88 88 ASN C C 13 174.900 0.000 1 1 . . . . 88 ASN C . 15814 2 913 . 1 1 88 88 ASN CA C 13 51.338 0.547 2 1 . . . . 88 ASN CA . 15814 2 914 . 1 1 88 88 ASN CB C 13 41.909 0.000 1 1 . . . . 88 ASN CB . 15814 2 915 . 1 1 88 88 ASN N N 15 123.482 0.030 5 1 . . . . 88 ASN N . 15814 2 916 . 1 1 88 88 ASN ND2 N 15 105.447 0.000 1 1 . . . . 88 ASN ND2 . 15814 2 917 . 1 1 89 89 VAL H H 1 7.569 0.014 6 1 . . . . 89 VAL H . 15814 2 918 . 1 1 89 89 VAL HA H 1 5.075 0.003 3 1 . . . . 89 VAL HA . 15814 2 919 . 1 1 89 89 VAL HB H 1 1.920 0.008 2 1 . . . . 89 VAL HB . 15814 2 920 . 1 1 89 89 VAL HG11 H 1 1.043 0.000 1 2 . . . . 89 VAL HG11 . 15814 2 921 . 1 1 89 89 VAL HG12 H 1 1.043 0.000 1 2 . . . . 89 VAL HG12 . 15814 2 922 . 1 1 89 89 VAL HG13 H 1 1.043 0.000 1 2 . . . . 89 VAL HG13 . 15814 2 923 . 1 1 89 89 VAL HG21 H 1 0.967 0.000 1 2 . . . . 89 VAL HG21 . 15814 2 924 . 1 1 89 89 VAL HG22 H 1 0.967 0.000 1 2 . . . . 89 VAL HG22 . 15814 2 925 . 1 1 89 89 VAL HG23 H 1 0.967 0.000 1 2 . . . . 89 VAL HG23 . 15814 2 926 . 1 1 89 89 VAL C C 13 174.600 0.000 1 1 . . . . 89 VAL C . 15814 2 927 . 1 1 89 89 VAL CA C 13 61.483 0.105 2 1 . . . . 89 VAL CA . 15814 2 928 . 1 1 89 89 VAL CB C 13 33.264 0.049 2 1 . . . . 89 VAL CB . 15814 2 929 . 1 1 89 89 VAL CG1 C 13 21.772 0.000 1 2 . . . . 89 VAL CG1 . 15814 2 930 . 1 1 89 89 VAL CG2 C 13 21.802 0.000 1 2 . . . . 89 VAL CG2 . 15814 2 931 . 1 1 89 89 VAL N N 15 127.746 0.093 6 1 . . . . 89 VAL N . 15814 2 932 . 1 1 90 90 THR H H 1 9.229 0.020 6 1 . . . . 90 THR H . 15814 2 933 . 1 1 90 90 THR HA H 1 5.081 0.001 3 1 . . . . 90 THR HA . 15814 2 934 . 1 1 90 90 THR HB H 1 3.462 0.003 2 1 . . . . 90 THR HB . 15814 2 935 . 1 1 90 90 THR HG21 H 1 0.708 0.000 1 1 . . . . 90 THR HG21 . 15814 2 936 . 1 1 90 90 THR HG22 H 1 0.708 0.000 1 1 . . . . 90 THR HG22 . 15814 2 937 . 1 1 90 90 THR HG23 H 1 0.708 0.000 1 1 . . . . 90 THR HG23 . 15814 2 938 . 1 1 90 90 THR C C 13 173.000 0.000 1 1 . . . . 90 THR C . 15814 2 939 . 1 1 90 90 THR CA C 13 59.315 0.015 2 1 . . . . 90 THR CA . 15814 2 940 . 1 1 90 90 THR CB C 13 73.581 0.131 2 1 . . . . 90 THR CB . 15814 2 941 . 1 1 90 90 THR CG2 C 13 21.219 0.000 1 1 . . . . 90 THR CG2 . 15814 2 942 . 1 1 90 90 THR N N 15 116.067 0.015 6 1 . . . . 90 THR N . 15814 2 943 . 1 1 91 91 LEU H H 1 8.737 0.021 5 1 . . . . 91 LEU H . 15814 2 944 . 1 1 91 91 LEU HA H 1 4.351 0.008 2 1 . . . . 91 LEU HA . 15814 2 945 . 1 1 91 91 LEU HB2 H 1 1.496 0.006 2 2 . . . . 91 LEU HB2 . 15814 2 946 . 1 1 91 91 LEU HB3 H 1 0.968 0.005 2 2 . . . . 91 LEU HB3 . 15814 2 947 . 1 1 91 91 LEU HD11 H 1 0.367 0.000 1 2 . . . . 91 LEU HD11 . 15814 2 948 . 1 1 91 91 LEU HD12 H 1 0.367 0.000 1 2 . . . . 91 LEU HD12 . 15814 2 949 . 1 1 91 91 LEU HD13 H 1 0.367 0.000 1 2 . . . . 91 LEU HD13 . 15814 2 950 . 1 1 91 91 LEU HD21 H 1 -0.169 0.000 1 2 . . . . 91 LEU HD21 . 15814 2 951 . 1 1 91 91 LEU HD22 H 1 -0.169 0.000 1 2 . . . . 91 LEU HD22 . 15814 2 952 . 1 1 91 91 LEU HD23 H 1 -0.169 0.000 1 2 . . . . 91 LEU HD23 . 15814 2 953 . 1 1 91 91 LEU HG H 1 1.014 0.000 1 1 . . . . 91 LEU HG . 15814 2 954 . 1 1 91 91 LEU C C 13 176.100 0.000 1 1 . . . . 91 LEU C . 15814 2 955 . 1 1 91 91 LEU CA C 13 53.956 0.147 2 1 . . . . 91 LEU CA . 15814 2 956 . 1 1 91 91 LEU CB C 13 44.842 0.089 3 1 . . . . 91 LEU CB . 15814 2 957 . 1 1 91 91 LEU CD1 C 13 25.437 0.000 1 2 . . . . 91 LEU CD1 . 15814 2 958 . 1 1 91 91 LEU CD2 C 13 21.244 0.000 1 2 . . . . 91 LEU CD2 . 15814 2 959 . 1 1 91 91 LEU CG C 13 27.692 0.000 1 1 . . . . 91 LEU CG . 15814 2 960 . 1 1 91 91 LEU N N 15 119.775 0.042 5 1 . . . . 91 LEU N . 15814 2 961 . 1 1 92 92 ARG H H 1 9.389 0.001 5 1 . . . . 92 ARG H . 15814 2 962 . 1 1 92 92 ARG HA H 1 3.855 0.000 1 1 . . . . 92 ARG HA . 15814 2 963 . 1 1 92 92 ARG HB2 H 1 1.896 0.000 1 2 . . . . 92 ARG HB2 . 15814 2 964 . 1 1 92 92 ARG HB3 H 1 1.470 0.000 1 2 . . . . 92 ARG HB3 . 15814 2 965 . 1 1 92 92 ARG C C 13 176.000 0.000 1 1 . . . . 92 ARG C . 15814 2 966 . 1 1 92 92 ARG CA C 13 57.361 0.000 1 1 . . . . 92 ARG CA . 15814 2 967 . 1 1 92 92 ARG CB C 13 28.437 0.000 1 1 . . . . 92 ARG CB . 15814 2 968 . 1 1 92 92 ARG N N 15 128.722 0.067 5 1 . . . . 92 ARG N . 15814 2 969 . 1 1 93 93 GLY H H 1 8.763 0.016 6 1 . . . . 93 GLY H . 15814 2 970 . 1 1 93 93 GLY HA2 H 1 4.192 0.291 2 2 . . . . 93 GLY HA2 . 15814 2 971 . 1 1 93 93 GLY HA3 H 1 3.488 0.362 2 2 . . . . 93 GLY HA3 . 15814 2 972 . 1 1 93 93 GLY C C 13 173.600 0.000 1 1 . . . . 93 GLY C . 15814 2 973 . 1 1 93 93 GLY CA C 13 45.399 0.000 1 1 . . . . 93 GLY CA . 15814 2 974 . 1 1 93 93 GLY N N 15 102.860 0.024 6 1 . . . . 93 GLY N . 15814 2 975 . 1 1 94 94 ASN H H 1 7.665 0.022 5 1 . . . . 94 ASN H . 15814 2 976 . 1 1 94 94 ASN HA H 1 5.293 0.329 2 1 . . . . 94 ASN HA . 15814 2 977 . 1 1 94 94 ASN HB2 H 1 2.348 0.000 1 2 . . . . 94 ASN HB2 . 15814 2 978 . 1 1 94 94 ASN HB3 H 1 1.971 0.000 1 2 . . . . 94 ASN HB3 . 15814 2 979 . 1 1 94 94 ASN C C 13 172.300 0.000 1 1 . . . . 94 ASN C . 15814 2 980 . 1 1 94 94 ASN CA C 13 50.492 0.000 1 1 . . . . 94 ASN CA . 15814 2 981 . 1 1 94 94 ASN CB C 13 40.278 0.000 1 1 . . . . 94 ASN CB . 15814 2 982 . 1 1 94 94 ASN N N 15 119.977 0.023 5 1 . . . . 94 ASN N . 15814 2 983 . 1 1 95 95 PRO HA H 1 4.643 0.000 1 1 . . . . 95 PRO HA . 15814 2 984 . 1 1 95 95 PRO HB2 H 1 2.348 0.025 . 2 . . . . 95 PRO HB2 . 15814 2 985 . 1 1 95 95 PRO HB3 H 1 1.971 0.025 . 2 . . . . 95 PRO HB3 . 15814 2 986 . 1 1 95 95 PRO C C 13 177.000 0.000 1 1 . . . . 95 PRO C . 15814 2 987 . 1 1 95 95 PRO CA C 13 63.506 0.000 1 1 . . . . 95 PRO CA . 15814 2 988 . 1 1 95 95 PRO CB C 13 32.437 0.000 1 1 . . . . 95 PRO CB . 15814 2 989 . 1 1 96 96 ILE H H 1 7.672 0.017 6 1 . . . . 96 ILE H . 15814 2 990 . 1 1 96 96 ILE HA H 1 4.741 0.000 1 1 . . . . 96 ILE HA . 15814 2 991 . 1 1 96 96 ILE HB H 1 2.340 0.000 1 1 . . . . 96 ILE HB . 15814 2 992 . 1 1 96 96 ILE HD11 H 1 0.568 0.000 1 1 . . . . 96 ILE HD11 . 15814 2 993 . 1 1 96 96 ILE HD12 H 1 0.568 0.000 1 1 . . . . 96 ILE HD12 . 15814 2 994 . 1 1 96 96 ILE HD13 H 1 0.568 0.000 1 1 . . . . 96 ILE HD13 . 15814 2 995 . 1 1 96 96 ILE HG12 H 1 1.526 0.000 1 2 . . . . 96 ILE HG12 . 15814 2 996 . 1 1 96 96 ILE HG13 H 1 1.165 0.000 1 2 . . . . 96 ILE HG13 . 15814 2 997 . 1 1 96 96 ILE HG21 H 1 0.998 0.000 1 1 . . . . 96 ILE HG21 . 15814 2 998 . 1 1 96 96 ILE HG22 H 1 0.998 0.000 1 1 . . . . 96 ILE HG22 . 15814 2 999 . 1 1 96 96 ILE HG23 H 1 0.998 0.000 1 1 . . . . 96 ILE HG23 . 15814 2 1000 . 1 1 96 96 ILE C C 13 174.300 0.000 1 1 . . . . 96 ILE C . 15814 2 1001 . 1 1 96 96 ILE CA C 13 60.625 0.000 1 1 . . . . 96 ILE CA . 15814 2 1002 . 1 1 96 96 ILE CB C 13 36.617 0.161 2 1 . . . . 96 ILE CB . 15814 2 1003 . 1 1 96 96 ILE CD1 C 13 14.586 0.000 1 1 . . . . 96 ILE CD1 . 15814 2 1004 . 1 1 96 96 ILE CG1 C 13 26.636 0.003 2 1 . . . . 96 ILE CG1 . 15814 2 1005 . 1 1 96 96 ILE CG2 C 13 18.011 0.000 1 1 . . . . 96 ILE CG2 . 15814 2 1006 . 1 1 96 96 ILE N N 15 113.849 0.200 6 1 . . . . 96 ILE N . 15814 2 1007 . 1 1 97 97 LYS H H 1 7.684 0.029 4 1 . . . . 97 LYS H . 15814 2 1008 . 1 1 97 97 LYS HA H 1 5.276 0.005 1 1 . . . . 97 LYS H . 15814 2 1009 . 1 1 97 97 LYS HB2 H 1 2.659 0.025 . 2 . . . . 97 LYS HB2 . 15814 2 1010 . 1 1 97 97 LYS HB3 H 1 2.659 0.025 . 2 . . . . 97 LYS HB3 . 15814 2 1011 . 1 1 97 97 LYS HG2 H 1 1.881 0.025 . 2 . . . . 97 LYS HG2 . 15814 2 1012 . 1 1 97 97 LYS HG3 H 1 1.881 0.025 . 2 . . . . 97 LYS HG3 . 15814 2 1013 . 1 1 97 97 LYS C C 13 177.100 0.000 1 1 . . . . 97 LYS C . 15814 2 1014 . 1 1 97 97 LYS CB C 13 33.176 0.000 1 1 . . . . 97 LYS CB . 15814 2 1015 . 1 1 97 97 LYS N N 15 119.972 0.033 4 1 . . . . 97 LYS N . 15814 2 1016 . 1 1 98 98 ASN H H 1 8.902 0.000 1 1 . . . . 98 ASN H . 15814 2 1017 . 1 1 98 98 ASN HA H 1 4.359 0.000 1 1 . . . . 98 ASN HA . 15814 2 1018 . 1 1 98 98 ASN HB2 H 1 3.096 0.000 1 2 . . . . 98 ASN HB2 . 15814 2 1019 . 1 1 98 98 ASN HB3 H 1 3.096 0.025 . 2 . . . . 98 ASN HB3 . 15814 2 1020 . 1 1 98 98 ASN C C 13 172.200 0.000 1 1 . . . . 98 ASN C . 15814 2 1021 . 1 1 98 98 ASN CA C 13 54.735 0.000 1 1 . . . . 98 ASN CA . 15814 2 1022 . 1 1 98 98 ASN CB C 13 37.855 0.000 1 1 . . . . 98 ASN CB . 15814 2 1023 . 1 1 98 98 ASN N N 15 117.183 0.000 1 1 . . . . 98 ASN N . 15814 2 1024 . 1 1 99 99 MET H H 1 7.519 0.023 6 1 . . . . 99 MET H . 15814 2 1025 . 1 1 99 99 MET HA H 1 4.822 0.000 1 1 . . . . 99 MET HA . 15814 2 1026 . 1 1 99 99 MET HB2 H 1 2.305 0.025 1 2 . . . . 99 MET HB2 . 15814 2 1027 . 1 1 99 99 MET HB3 H 1 2.305 0.025 1 2 . . . . 99 MET HB3 . 15814 2 1028 . 1 1 99 99 MET HG2 H 1 2.075 0.025 1 2 . . . . 99 MET HB2 . 15814 2 1029 . 1 1 99 99 MET HG3 H 1 2.075 0.025 1 2 . . . . 99 MET HB3 . 15814 2 1030 . 1 1 99 99 MET HE1 H 1 2.100 0.000 1 1 . . . . 99 MET HE1 . 15814 2 1031 . 1 1 99 99 MET HE2 H 1 2.100 0.000 1 1 . . . . 99 MET HE2 . 15814 2 1032 . 1 1 99 99 MET HE3 H 1 2.100 0.000 1 1 . . . . 99 MET HE3 . 15814 2 1033 . 1 1 99 99 MET CA C 13 52.862 0.000 1 1 . . . . 99 MET CA . 15814 2 1034 . 1 1 99 99 MET CB C 13 33.530 0.000 1 1 . . . . 99 MET CB . 15814 2 1035 . 1 1 99 99 MET CE C 13 17.416 0.000 1 1 . . . . 99 MET CE . 15814 2 1036 . 1 1 99 99 MET N N 15 115.887 0.025 6 1 . . . . 99 MET N . 15814 2 1037 . 1 1 100 100 PRO HA H 1 4.931 0.007 2 1 . . . . 100 PRO HA . 15814 2 1038 . 1 1 100 100 PRO HB2 H 1 2.152 0.035 2 2 . . . . 100 PRO HB2 . 15814 2 1039 . 1 1 100 100 PRO HB3 H 1 1.999 0.011 2 2 . . . . 100 PRO HB3 . 15814 2 1040 . 1 1 100 100 PRO C C 13 175.300 0.000 1 1 . . . . 100 PRO C . 15814 2 1041 . 1 1 100 100 PRO CA C 13 62.332 0.000 1 1 . . . . 100 PRO CA . 15814 2 1042 . 1 1 100 100 PRO CB C 13 36.146 0.008 2 1 . . . . 100 PRO CB . 15814 2 1043 . 1 1 101 101 ILE H H 1 9.060 0.007 6 1 . . . . 101 ILE H . 15814 2 1044 . 1 1 101 101 ILE HA H 1 4.552 0.006 3 1 . . . . 101 ILE HA . 15814 2 1045 . 1 1 101 101 ILE HB H 1 1.726 0.004 2 1 . . . . 101 ILE HB . 15814 2 1046 . 1 1 101 101 ILE HG21 H 1 0.904 0.000 1 1 . . . . 101 ILE HD11 . 15814 2 1047 . 1 1 101 101 ILE HG22 H 1 0.904 0.000 1 1 . . . . 101 ILE HD12 . 15814 2 1048 . 1 1 101 101 ILE HG23 H 1 0.904 0.000 1 1 . . . . 101 ILE HD13 . 15814 2 1049 . 1 1 101 101 ILE HG12 H 1 1.682 0.034 2 2 . . . . 101 ILE HG12 . 15814 2 1050 . 1 1 101 101 ILE HG13 H 1 1.470 0.240 2 2 . . . . 101 ILE HG13 . 15814 2 1051 . 1 1 101 101 ILE HD11 H 1 0.928 0.000 1 1 . . . . 101 ILE HG21 . 15814 2 1052 . 1 1 101 101 ILE HD12 H 1 0.928 0.000 1 1 . . . . 101 ILE HG22 . 15814 2 1053 . 1 1 101 101 ILE HD13 H 1 0.928 0.000 1 1 . . . . 101 ILE HG23 . 15814 2 1054 . 1 1 101 101 ILE C C 13 173.300 0.000 1 1 . . . . 101 ILE C . 15814 2 1055 . 1 1 101 101 ILE CA C 13 60.399 0.113 2 1 . . . . 101 ILE CA . 15814 2 1056 . 1 1 101 101 ILE CB C 13 43.209 0.120 2 1 . . . . 101 ILE CB . 15814 2 1057 . 1 1 101 101 ILE CG2 C 13 18.137 0.000 1 1 . . . . 101 ILE CD1 . 15814 2 1058 . 1 1 101 101 ILE CG1 C 13 29.297 0.064 2 1 . . . . 101 ILE CG1 . 15814 2 1059 . 1 1 101 101 ILE CD1 C 13 15.360 0.000 1 1 . . . . 101 ILE CG2 . 15814 2 1060 . 1 1 101 101 ILE N N 15 119.543 0.045 6 1 . . . . 101 ILE N . 15814 2 1061 . 1 1 102 102 ASP H H 1 8.157 0.006 5 1 . . . . 102 ASP H . 15814 2 1062 . 1 1 102 102 ASP HA H 1 5.550 0.007 3 1 . . . . 102 ASP HA . 15814 2 1063 . 1 1 102 102 ASP HB2 H 1 2.914 0.000 1 2 . . . . 102 ASP HB2 . 15814 2 1064 . 1 1 102 102 ASP HB3 H 1 2.424 0.000 1 2 . . . . 102 ASP HB3 . 15814 2 1065 . 1 1 102 102 ASP HD2 H 1 1.405 0.025 . 1 . . . . 102 ASP HD2 . 15814 2 1066 . 1 1 102 102 ASP C C 13 175.400 0.000 1 1 . . . . 102 ASP C . 15814 2 1067 . 1 1 102 102 ASP CA C 13 54.609 0.018 2 1 . . . . 102 ASP CA . 15814 2 1068 . 1 1 102 102 ASP CB C 13 43.134 0.000 1 1 . . . . 102 ASP CB . 15814 2 1069 . 1 1 102 102 ASP N N 15 125.572 0.022 5 1 . . . . 102 ASP N . 15814 2 1070 . 1 1 103 103 VAL H H 1 9.620 0.013 6 1 . . . . 103 VAL H . 15814 2 1071 . 1 1 103 103 VAL HA H 1 4.120 0.012 3 1 . . . . 103 VAL HA . 15814 2 1072 . 1 1 103 103 VAL HB H 1 1.855 0.004 2 1 . . . . 103 VAL HB . 15814 2 1073 . 1 1 103 103 VAL HG11 H 1 0.845 0.000 1 2 . . . . 103 VAL HG11 . 15814 2 1074 . 1 1 103 103 VAL HG12 H 1 0.845 0.000 1 2 . . . . 103 VAL HG12 . 15814 2 1075 . 1 1 103 103 VAL HG13 H 1 0.845 0.000 1 2 . . . . 103 VAL HG13 . 15814 2 1076 . 1 1 103 103 VAL HG21 H 1 0.733 0.000 1 2 . . . . 103 VAL HG21 . 15814 2 1077 . 1 1 103 103 VAL HG22 H 1 0.733 0.000 1 2 . . . . 103 VAL HG22 . 15814 2 1078 . 1 1 103 103 VAL HG23 H 1 0.733 0.000 1 2 . . . . 103 VAL HG23 . 15814 2 1079 . 1 1 103 103 VAL C C 13 173.600 0.000 1 1 . . . . 103 VAL C . 15814 2 1080 . 1 1 103 103 VAL CA C 13 61.445 0.006 2 1 . . . . 103 VAL CA . 15814 2 1081 . 1 1 103 103 VAL CB C 13 35.543 0.082 2 1 . . . . 103 VAL CB . 15814 2 1082 . 1 1 103 103 VAL CG1 C 13 22.639 0.000 1 2 . . . . 103 VAL CG1 . 15814 2 1083 . 1 1 103 103 VAL CG2 C 13 21.421 0.000 1 2 . . . . 103 VAL CG2 . 15814 2 1084 . 1 1 103 103 VAL N N 15 126.461 0.073 6 1 . . . . 103 VAL N . 15814 2 1085 . 1 1 104 104 LYS H H 1 8.304 0.002 6 1 . . . . 104 LYS H . 15814 2 1086 . 1 1 104 104 LYS HA H 1 4.731 0.008 2 1 . . . . 104 LYS HA . 15814 2 1087 . 1 1 104 104 LYS HB2 H 1 1.751 0.000 1 2 . . . . 104 LYS HB2 . 15814 2 1088 . 1 1 104 104 LYS HB3 H 1 1.851 0.025 . 2 . . . . 104 LYS HB3 . 15814 2 1089 . 1 1 104 104 LYS HG2 H 1 1.261 0.025 . 2 . . . . 104 LYS HG2 . 15814 2 1090 . 1 1 104 104 LYS HG3 H 1 1.261 0.025 . 2 . . . . 104 LYS HG3 . 15814 2 1091 . 1 1 104 104 LYS C C 13 174.800 0.000 1 1 . . . . 104 LYS C . 15814 2 1092 . 1 1 104 104 LYS CA C 13 56.086 0.000 1 1 . . . . 104 LYS CA . 15814 2 1093 . 1 1 104 104 LYS CB C 13 33.983 0.000 1 1 . . . . 104 LYS CB . 15814 2 1094 . 1 1 104 104 LYS N N 15 126.761 0.024 6 1 . . . . 104 LYS N . 15814 2 1095 . 1 1 105 105 CYS H H 1 9.287 0.014 5 1 . . . . 105 CYS H . 15814 2 1096 . 1 1 105 105 CYS HA H 1 5.043 0.002 2 1 . . . . 105 CYS HA . 15814 2 1097 . 1 1 105 105 CYS HB2 H 1 3.270 0.000 1 2 . . . . 105 CYS HB2 . 15814 2 1098 . 1 1 105 105 CYS HB3 H 1 2.308 0.000 1 2 . . . . 105 CYS HB3 . 15814 2 1099 . 1 1 105 105 CYS C C 13 175.200 0.000 1 1 . . . . 105 CYS C . 15814 2 1100 . 1 1 105 105 CYS CA C 13 55.178 0.000 1 1 . . . . 105 CYS CA . 15814 2 1101 . 1 1 105 105 CYS CB C 13 29.587 0.000 1 1 . . . . 105 CYS CB . 15814 2 1102 . 1 1 105 105 CYS N N 15 125.242 0.024 5 1 . . . . 105 CYS N . 15814 2 1103 . 1 1 106 106 ILE H H 1 8.698 0.019 6 1 . . . . 106 ILE H . 15814 2 1104 . 1 1 106 106 ILE HA H 1 4.732 0.051 3 1 . . . . 106 ILE HA . 15814 2 1105 . 1 1 106 106 ILE HB H 1 1.972 0.008 2 1 . . . . 106 ILE HB . 15814 2 1106 . 1 1 106 106 ILE HG21 H 1 0.941 0.000 1 1 . . . . 106 ILE HD11 . 15814 2 1107 . 1 1 106 106 ILE HG22 H 1 0.941 0.000 1 1 . . . . 106 ILE HD12 . 15814 2 1108 . 1 1 106 106 ILE HG23 H 1 0.941 0.000 1 1 . . . . 106 ILE HD13 . 15814 2 1109 . 1 1 106 106 ILE HG12 H 1 1.350 0.000 0 2 . . . . 106 ILE HG12 . 15814 2 1110 . 1 1 106 106 ILE HG13 H 1 0.849 0.000 0 2 . . . . 106 ILE HG13 . 15814 2 1111 . 1 1 106 106 ILE HD11 H 1 0.845 0.000 1 1 . . . . 106 ILE HG21 . 15814 2 1112 . 1 1 106 106 ILE HD12 H 1 0.845 0.000 1 1 . . . . 106 ILE HG22 . 15814 2 1113 . 1 1 106 106 ILE HD13 H 1 0.845 0.000 1 1 . . . . 106 ILE HG23 . 15814 2 1114 . 1 1 106 106 ILE C C 13 174.400 0.000 1 1 . . . . 106 ILE C . 15814 2 1115 . 1 1 106 106 ILE CA C 13 59.727 0.103 2 1 . . . . 106 ILE CA . 15814 2 1116 . 1 1 106 106 ILE CB C 13 41.668 0.034 2 1 . . . . 106 ILE CB . 15814 2 1117 . 1 1 106 106 ILE CG2 C 13 18.434 0.000 1 1 . . . . 106 ILE CD1 . 15814 2 1118 . 1 1 106 106 ILE CG1 C 13 26.364 0.004 2 1 . . . . 106 ILE CG1 . 15814 2 1119 . 1 1 106 106 ILE CD1 C 13 14.405 0.000 1 1 . . . . 106 ILE CG2 . 15814 2 1120 . 1 1 106 106 ILE N N 15 126.500 0.035 6 1 . . . . 106 ILE N . 15814 2 1121 . 1 1 107 107 GLU H H 1 8.407 0.012 6 1 . . . . 107 GLU H . 15814 2 1122 . 1 1 107 107 GLU HA H 1 4.177 0.001 2 1 . . . . 107 GLU HA . 15814 2 1123 . 1 1 107 107 GLU HB2 H 1 1.997 0.000 1 2 . . . . 107 GLU HB2 . 15814 2 1124 . 1 1 107 107 GLU HB3 H 1 1.997 0.025 . 2 . . . . 107 GLU HB3 . 15814 2 1125 . 1 1 107 107 GLU HG2 H 1 1.177 0.025 . 2 . . . . 107 GLU HG2 . 15814 2 1126 . 1 1 107 107 GLU HG3 H 1 1.177 0.025 . 2 . . . . 107 GLU HG3 . 15814 2 1127 . 1 1 107 107 GLU C C 13 177.000 0.000 1 1 . . . . 107 GLU C . 15814 2 1128 . 1 1 107 107 GLU CA C 13 57.547 0.000 1 1 . . . . 107 GLU CA . 15814 2 1129 . 1 1 107 107 GLU CB C 13 30.739 0.000 1 1 . . . . 107 GLU CB . 15814 2 1130 . 1 1 107 107 GLU CG C 13 37.043 0.000 1 1 . . . . 107 GLU CG . 15814 2 1131 . 1 1 107 107 GLU N N 15 121.725 0.060 6 1 . . . . 107 GLU N . 15814 2 1132 . 1 1 108 108 GLY H H 1 8.792 0.018 6 1 . . . . 108 GLY H . 15814 2 1133 . 1 1 108 108 GLY HA2 H 1 4.024 0.016 2 2 . . . . 108 GLY HA2 . 15814 2 1134 . 1 1 108 108 GLY HA3 H 1 3.550 0.011 2 2 . . . . 108 GLY HA3 . 15814 2 1135 . 1 1 108 108 GLY C C 13 179.400 0.000 1 1 . . . . 108 GLY C . 15814 2 1136 . 1 1 108 108 GLY CA C 13 46.332 0.059 3 1 . . . . 108 GLY CA . 15814 2 1137 . 1 1 108 108 GLY N N 15 119.508 0.050 6 1 . . . . 108 GLY N . 15814 2 stop_ save_