data_27430 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27430 _Entry.Title ; Distinctive phosphoinositide and Ca2+ binding properties of normal and cognitive performance-linked variant forms of KIBRA C2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-19 _Entry.Accession_date 2018-03-19 _Entry.Last_release_date 2018-03-19 _Entry.Original_release_date 2018-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone resonance assignments of KIBRA C2 domain: variant C771A' _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.ORCID _Entry_author.Entry_ID 1 Mareike Posner . G. . . 27430 2 Abhishek Upadhyay . . . . 27430 3 Rieko Ishima . . . . 27430 4 Stefan Bagby . . . . 27430 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27430 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27430 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 27430 '15N chemical shifts' 116 27430 '1H chemical shifts' 233 27430 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-11-13 2018-03-19 update BMRB 'update entry citation' 27430 1 . . 2018-03-22 2018-03-19 original author 'original release' 27430 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27429 'KIBRA C2 domain: C771A' 27430 PDB 6FB4 'KIBRA C2(C771A) crystal structure' 27430 PDB 6FD0 'KIBRA variant C2 crystal structure' 27430 PDB 6FJC 'KIBRA C2(C771A)-PI(3,4,5)P3 complex crystal structure' 27430 PDB 6FJD 'KIBRA C2(C771A)-PI(3,4,5)P3 complex crystal structure' 27430 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27430 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29724824 _Citation.Full_citation . _Citation.Title ; Distinctive phosphoinositide- and Ca2+-binding properties of normal and cognitive performance-linked variant forms of KIBRA C2 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 293 _Citation.Journal_issue 24 _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 9335 _Citation.Page_last 9344 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mareike Posner . G. . . 27430 1 2 Abhishek Upadhyay . . . . 27430 1 3 Rieko Ishima . . . . 27430 1 4 Antreas Kalli . C. . . 27430 1 5 Gemma Harris . . . . 27430 1 6 Joachim Kremerskothen . . . . 27430 1 7 Mark Sansom . SP . . 27430 1 8 Susan Crennell . J. . . 27430 1 9 Stefan Bagby . . . . 27430 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Analytical ultracentrifugation' 27430 1 'C2 domain' 27430 1 KIBRA 27430 1 NMR 27430 1 'WWC protein family' 27430 1 'X-ray crystallography' 27430 1 'calcium binding' 27430 1 'human cognition' 27430 1 'molecular dynamics' 27430 1 phosphoinositide 27430 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27430 _Assembly.ID 1 _Assembly.Name KIBRA _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C2 domain variant' 1 $variant_KIBRA A . yes native no no . . . 27430 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 60 60 SG . 1 . 1 CYS 66 66 SG . . . 705 CYS SG . . . 711 CYS SG 27430 1 2 disulfide single . 1 . 1 CYS 104 104 SG . 1 . 1 CYS 114 114 SG . . . 749 CYS SG . . . 759 CYS SG 27430 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_variant_KIBRA _Entity.Sf_category entity _Entity.Sf_framecode variant_KIBRA _Entity.Entry_ID 27430 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name variant_KIBRA _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 ; MRGSHHHHHHGSGATRIQIA LKYDEKNKQFAILIIQLSNL SALLQQQDQKVNIRVAVLPC SESTTCLFRTRPLDASDTLV FNEVFWVSIAYPALHQKTLR VDVCTTDRSHLEECLGGAQI SLAEVARSGERSTRWYNLLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First residue of KIBRA in constructs is G658 after MRGSHHHHHHGS affinity tag.' _Entity.Polymer_author_seq_details ; First 12 residues are a non-native affinity tag. Variant form (varmutC2) has IA instead of MS at positions 89 and 90. ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C2 domain' _Entity.Mutation C771A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15809 _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 1 yes NCBI NP_001155133 . 'KIBRA isoform 1' . . . . . . . . . . . . . . 27430 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Memory and cognition' 27430 1 'Organ growth control' 27430 1 'Receptor trafficking' 27430 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 1 646 MET . 27430 1 2 647 ARG . 27430 1 3 648 GLY . 27430 1 4 649 SER . 27430 1 5 650 HIS . 27430 1 6 651 HIS . 27430 1 7 652 HIS . 27430 1 8 653 HIS . 27430 1 9 654 HIS . 27430 1 10 655 HIS . 27430 1 11 656 GLY . 27430 1 12 657 SER . 27430 1 13 658 GLY . 27430 1 14 659 ALA . 27430 1 15 660 THR . 27430 1 16 661 ARG . 27430 1 17 662 ILE . 27430 1 18 663 GLN . 27430 1 19 664 ILE . 27430 1 20 665 ALA . 27430 1 21 666 LEU . 27430 1 22 667 LYS . 27430 1 23 668 TYR . 27430 1 24 669 ASP . 27430 1 25 670 GLU . 27430 1 26 671 LYS . 27430 1 27 672 ASN . 27430 1 28 673 LYS . 27430 1 29 674 GLN . 27430 1 30 675 PHE . 27430 1 31 676 ALA . 27430 1 32 677 ILE . 27430 1 33 678 LEU . 27430 1 34 679 ILE . 27430 1 35 680 ILE . 27430 1 36 681 GLN . 27430 1 37 682 LEU . 27430 1 38 683 SER . 27430 1 39 684 ASN . 27430 1 40 685 LEU . 27430 1 41 686 SER . 27430 1 42 687 ALA . 27430 1 43 688 LEU . 27430 1 44 689 LEU . 27430 1 45 690 GLN . 27430 1 46 691 GLN . 27430 1 47 692 GLN . 27430 1 48 693 ASP . 27430 1 49 694 GLN . 27430 1 50 695 LYS . 27430 1 51 696 VAL . 27430 1 52 697 ASN . 27430 1 53 698 ILE . 27430 1 54 699 ARG . 27430 1 55 700 VAL . 27430 1 56 701 ALA . 27430 1 57 702 VAL . 27430 1 58 703 LEU . 27430 1 59 704 PRO . 27430 1 60 705 CYS . 27430 1 61 706 SER . 27430 1 62 707 GLU . 27430 1 63 708 SER . 27430 1 64 709 THR . 27430 1 65 710 THR . 27430 1 66 711 CYS . 27430 1 67 712 LEU . 27430 1 68 713 PHE . 27430 1 69 714 ARG . 27430 1 70 715 THR . 27430 1 71 716 ARG . 27430 1 72 717 PRO . 27430 1 73 718 LEU . 27430 1 74 719 ASP . 27430 1 75 720 ALA . 27430 1 76 721 SER . 27430 1 77 722 ASP . 27430 1 78 723 THR . 27430 1 79 724 LEU . 27430 1 80 725 VAL . 27430 1 81 726 PHE . 27430 1 82 727 ASN . 27430 1 83 728 GLU . 27430 1 84 729 VAL . 27430 1 85 730 PHE . 27430 1 86 731 TRP . 27430 1 87 732 VAL . 27430 1 88 733 SER . 27430 1 89 734 ILE . 27430 1 90 735 ALA . 27430 1 91 736 TYR . 27430 1 92 737 PRO . 27430 1 93 738 ALA . 27430 1 94 739 LEU . 27430 1 95 740 HIS . 27430 1 96 741 GLN . 27430 1 97 742 LYS . 27430 1 98 743 THR . 27430 1 99 744 LEU . 27430 1 100 745 ARG . 27430 1 101 746 VAL . 27430 1 102 747 ASP . 27430 1 103 748 VAL . 27430 1 104 749 CYS . 27430 1 105 750 THR . 27430 1 106 751 THR . 27430 1 107 752 ASP . 27430 1 108 753 ARG . 27430 1 109 754 SER . 27430 1 110 755 HIS . 27430 1 111 756 LEU . 27430 1 112 757 GLU . 27430 1 113 758 GLU . 27430 1 114 759 CYS . 27430 1 115 760 LEU . 27430 1 116 761 GLY . 27430 1 117 762 GLY . 27430 1 118 763 ALA . 27430 1 119 764 GLN . 27430 1 120 765 ILE . 27430 1 121 766 SER . 27430 1 122 767 LEU . 27430 1 123 768 ALA . 27430 1 124 769 GLU . 27430 1 125 770 VAL . 27430 1 126 771 ALA . 27430 1 127 772 ARG . 27430 1 128 773 SER . 27430 1 129 774 GLY . 27430 1 130 775 GLU . 27430 1 131 776 ARG . 27430 1 132 777 SER . 27430 1 133 778 THR . 27430 1 134 779 ARG . 27430 1 135 780 TRP . 27430 1 136 781 TYR . 27430 1 137 782 ASN . 27430 1 138 783 LEU . 27430 1 139 784 LEU . 27430 1 140 785 SER . 27430 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 27430 1 . ARG 2 2 27430 1 . GLY 3 3 27430 1 . SER 4 4 27430 1 . HIS 5 5 27430 1 . HIS 6 6 27430 1 . HIS 7 7 27430 1 . HIS 8 8 27430 1 . HIS 9 9 27430 1 . HIS 10 10 27430 1 . GLY 11 11 27430 1 . SER 12 12 27430 1 . GLY 13 13 27430 1 . ALA 14 14 27430 1 . THR 15 15 27430 1 . ARG 16 16 27430 1 . ILE 17 17 27430 1 . GLN 18 18 27430 1 . ILE 19 19 27430 1 . ALA 20 20 27430 1 . LEU 21 21 27430 1 . LYS 22 22 27430 1 . TYR 23 23 27430 1 . ASP 24 24 27430 1 . GLU 25 25 27430 1 . LYS 26 26 27430 1 . ASN 27 27 27430 1 . LYS 28 28 27430 1 . GLN 29 29 27430 1 . PHE 30 30 27430 1 . ALA 31 31 27430 1 . ILE 32 32 27430 1 . LEU 33 33 27430 1 . ILE 34 34 27430 1 . ILE 35 35 27430 1 . GLN 36 36 27430 1 . LEU 37 37 27430 1 . SER 38 38 27430 1 . ASN 39 39 27430 1 . LEU 40 40 27430 1 . SER 41 41 27430 1 . ALA 42 42 27430 1 . LEU 43 43 27430 1 . LEU 44 44 27430 1 . GLN 45 45 27430 1 . GLN 46 46 27430 1 . GLN 47 47 27430 1 . ASP 48 48 27430 1 . GLN 49 49 27430 1 . LYS 50 50 27430 1 . VAL 51 51 27430 1 . ASN 52 52 27430 1 . ILE 53 53 27430 1 . ARG 54 54 27430 1 . VAL 55 55 27430 1 . ALA 56 56 27430 1 . VAL 57 57 27430 1 . LEU 58 58 27430 1 . PRO 59 59 27430 1 . CYS 60 60 27430 1 . SER 61 61 27430 1 . GLU 62 62 27430 1 . SER 63 63 27430 1 . THR 64 64 27430 1 . THR 65 65 27430 1 . CYS 66 66 27430 1 . LEU 67 67 27430 1 . PHE 68 68 27430 1 . ARG 69 69 27430 1 . THR 70 70 27430 1 . ARG 71 71 27430 1 . PRO 72 72 27430 1 . LEU 73 73 27430 1 . ASP 74 74 27430 1 . ALA 75 75 27430 1 . SER 76 76 27430 1 . ASP 77 77 27430 1 . THR 78 78 27430 1 . LEU 79 79 27430 1 . VAL 80 80 27430 1 . PHE 81 81 27430 1 . ASN 82 82 27430 1 . GLU 83 83 27430 1 . VAL 84 84 27430 1 . PHE 85 85 27430 1 . TRP 86 86 27430 1 . VAL 87 87 27430 1 . SER 88 88 27430 1 . ILE 89 89 27430 1 . ALA 90 90 27430 1 . TYR 91 91 27430 1 . PRO 92 92 27430 1 . ALA 93 93 27430 1 . LEU 94 94 27430 1 . HIS 95 95 27430 1 . GLN 96 96 27430 1 . LYS 97 97 27430 1 . THR 98 98 27430 1 . LEU 99 99 27430 1 . ARG 100 100 27430 1 . VAL 101 101 27430 1 . ASP 102 102 27430 1 . VAL 103 103 27430 1 . CYS 104 104 27430 1 . THR 105 105 27430 1 . THR 106 106 27430 1 . ASP 107 107 27430 1 . ARG 108 108 27430 1 . SER 109 109 27430 1 . HIS 110 110 27430 1 . LEU 111 111 27430 1 . GLU 112 112 27430 1 . GLU 113 113 27430 1 . CYS 114 114 27430 1 . LEU 115 115 27430 1 . GLY 116 116 27430 1 . GLY 117 117 27430 1 . ALA 118 118 27430 1 . GLN 119 119 27430 1 . ILE 120 120 27430 1 . SER 121 121 27430 1 . LEU 122 122 27430 1 . ALA 123 123 27430 1 . GLU 124 124 27430 1 . VAL 125 125 27430 1 . ALA 126 126 27430 1 . ARG 127 127 27430 1 . SER 128 128 27430 1 . GLY 129 129 27430 1 . GLU 130 130 27430 1 . ARG 131 131 27430 1 . SER 132 132 27430 1 . THR 133 133 27430 1 . ARG 134 134 27430 1 . TRP 135 135 27430 1 . TYR 136 136 27430 1 . ASN 137 137 27430 1 . LEU 138 138 27430 1 . LEU 139 139 27430 1 . SER 140 140 27430 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 27430 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $variant_KIBRA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27430 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 27430 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $variant_KIBRA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pQE30 . . . 27430 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27430 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Variant KIBRA C2 domain' _Sample.Aggregate_sample_number 2 _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 'variant KIBRA' '[U-98% 13C; U-98% 15N]' . . 1 $variant_KIBRA . . 0.6 0.2 1.0 mM 0.1 . . . 27430 1 2 H2O 'natural abundance' . . . . . . 95 . . % 1 . . . 27430 1 3 D2O 'natural abundance' . . . . . . 5 . . % 1 . . . 27430 1 4 MES 'natural abundance' . . . . . . 50 . . mM 2 . . . 27430 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 2 . . . 27430 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27430 _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' 0.05 0.005 M 27430 1 pH 6.5 0.1 pH 27430 1 pressure 1 . atm 27430 1 temperature 308 0.5 K 27430 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27430 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27430 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27430 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27430 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27430 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27430 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 27430 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27430 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27430 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27430 _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 Varian INOVA . 600 . . . 27430 1 2 spectrometer_2 Bruker Avance . 700 . . . 27430 1 3 spectrometer_3 Agilent Unity . 800 . . . 27430 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 27430 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 2 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27430 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 9 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27430 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 27430 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27430 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27430 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27430 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_Variant_KIBRA_C2_C771A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Variant_KIBRA_C2_C771A _Assigned_chem_shift_list.Entry_ID 27430 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27430 1 2 '2D 1H-15N HSQC NH2 only' . . . 27430 1 3 '3D CBCA(CO)NH' . . . 27430 1 4 '3D HNCACB' . . . 27430 1 5 '3D C(CO)NH' . . . 27430 1 6 '3D HNHA' . . . 27430 1 7 '3D 1H-15N NOESY' . . . 27430 1 8 '3D 1H-15N TOCSY' . . . 27430 1 9 '3D HCACO' . . . 27430 1 10 '3D HNCO' . . . 27430 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 13 13 GLY H H 1 8.300 0.001 . 1 . . . . . 658 GLY H . 27430 1 2 . 1 1 13 13 GLY HA2 H 1 3.882 0.001 . 2 . . . . . 658 GLY HA2 . 27430 1 3 . 1 1 13 13 GLY HA3 H 1 3.882 0.001 . 2 . . . . . 658 GLY HA3 . 27430 1 4 . 1 1 13 13 GLY C C 13 171.713 0.011 . 1 . . . . . 658 GLY C . 27430 1 5 . 1 1 13 13 GLY CA C 13 45.009 0.011 . 1 . . . . . 658 GLY CA . 27430 1 6 . 1 1 13 13 GLY N N 15 110.943 0.010 . 1 . . . . . 658 GLY N . 27430 1 7 . 1 1 14 14 ALA H H 1 7.857 0.001 . 1 . . . . . 659 ALA H . 27430 1 8 . 1 1 14 14 ALA HA H 1 4.505 0.001 . 1 . . . . . 659 ALA HA . 27430 1 9 . 1 1 14 14 ALA C C 13 177.125 0.011 . 1 . . . . . 659 ALA C . 27430 1 10 . 1 1 14 14 ALA CA C 13 51.336 0.011 . 1 . . . . . 659 ALA CA . 27430 1 11 . 1 1 14 14 ALA N N 15 122.323 0.010 . 1 . . . . . 659 ALA N . 27430 1 12 . 1 1 15 15 THR H H 1 8.864 0.001 . 1 . . . . . 660 THR H . 27430 1 13 . 1 1 15 15 THR C C 13 177.118 0.011 . 1 . . . . . 660 THR C . 27430 1 14 . 1 1 15 15 THR CA C 13 63.970 0.011 . 1 . . . . . 660 THR CA . 27430 1 15 . 1 1 15 15 THR N N 15 122.983 0.010 . 1 . . . . . 660 THR N . 27430 1 16 . 1 1 16 16 ARG H H 1 8.515 0.001 . 1 . . . . . 661 ARG H . 27430 1 17 . 1 1 16 16 ARG HA H 1 5.713 0.001 . 1 . . . . . 661 ARG HA . 27430 1 18 . 1 1 16 16 ARG C C 13 173.201 0.011 . 1 . . . . . 661 ARG C . 27430 1 19 . 1 1 16 16 ARG CA C 13 54.196 0.011 . 1 . . . . . 661 ARG CA . 27430 1 20 . 1 1 16 16 ARG N N 15 123.369 0.010 . 1 . . . . . 661 ARG N . 27430 1 21 . 1 1 17 17 ILE H H 1 9.536 0.001 . 1 . . . . . 662 ILE H . 27430 1 22 . 1 1 17 17 ILE HA H 1 5.559 0.001 . 1 . . . . . 662 ILE HA . 27430 1 23 . 1 1 17 17 ILE C C 13 170.385 0.011 . 1 . . . . . 662 ILE C . 27430 1 24 . 1 1 17 17 ILE CA C 13 57.909 0.011 . 1 . . . . . 662 ILE CA . 27430 1 25 . 1 1 17 17 ILE N N 15 121.070 0.010 . 1 . . . . . 662 ILE N . 27430 1 26 . 1 1 18 18 GLN H H 1 8.971 0.001 . 1 . . . . . 663 GLN H . 27430 1 27 . 1 1 18 18 GLN HA H 1 4.741 0.001 . 1 . . . . . 663 GLN HA . 27430 1 28 . 1 1 18 18 GLN C C 13 173.677 0.011 . 1 . . . . . 663 GLN C . 27430 1 29 . 1 1 18 18 GLN CA C 13 53.786 0.011 . 1 . . . . . 663 GLN CA . 27430 1 30 . 1 1 18 18 GLN N N 15 132.110 0.010 . 1 . . . . . 663 GLN N . 27430 1 31 . 1 1 19 19 ILE H H 1 8.559 0.001 . 1 . . . . . 664 ILE H . 27430 1 32 . 1 1 19 19 ILE HA H 1 5.024 0.001 . 1 . . . . . 664 ILE HA . 27430 1 33 . 1 1 19 19 ILE C C 13 173.704 0.011 . 1 . . . . . 664 ILE C . 27430 1 34 . 1 1 19 19 ILE CA C 13 59.509 0.011 . 1 . . . . . 664 ILE CA . 27430 1 35 . 1 1 19 19 ILE N N 15 126.870 0.010 . 1 . . . . . 664 ILE N . 27430 1 36 . 1 1 20 20 ALA H H 1 9.352 0.001 . 1 . . . . . 665 ALA H . 27430 1 37 . 1 1 20 20 ALA HA H 1 5.940 0.001 . 1 . . . . . 665 ALA HA . 27430 1 38 . 1 1 20 20 ALA C C 13 174.807 0.011 . 1 . . . . . 665 ALA C . 27430 1 39 . 1 1 20 20 ALA CA C 13 49.258 0.011 . 1 . . . . . 665 ALA CA . 27430 1 40 . 1 1 20 20 ALA N N 15 130.737 0.010 . 1 . . . . . 665 ALA N . 27430 1 41 . 1 1 21 21 LEU H H 1 8.607 0.001 . 1 . . . . . 666 LEU H . 27430 1 42 . 1 1 21 21 LEU HA H 1 5.161 0.001 . 1 . . . . . 666 LEU HA . 27430 1 43 . 1 1 21 21 LEU C C 13 175.429 0.011 . 1 . . . . . 666 LEU C . 27430 1 44 . 1 1 21 21 LEU CA C 13 53.172 0.011 . 1 . . . . . 666 LEU CA . 27430 1 45 . 1 1 21 21 LEU N N 15 122.447 0.010 . 1 . . . . . 666 LEU N . 27430 1 46 . 1 1 22 22 LYS H H 1 8.058 0.001 . 1 . . . . . 667 LYS H . 27430 1 47 . 1 1 22 22 LYS HA H 1 4.703 0.001 . 1 . . . . . 667 LYS HA . 27430 1 48 . 1 1 22 22 LYS C C 13 172.099 0.011 . 1 . . . . . 667 LYS C . 27430 1 49 . 1 1 22 22 LYS CA C 13 56.336 0.011 . 1 . . . . . 667 LYS CA . 27430 1 50 . 1 1 22 22 LYS N N 15 119.940 0.010 . 1 . . . . . 667 LYS N . 27430 1 51 . 1 1 23 23 TYR H H 1 9.868 0.001 . 1 . . . . . 668 TYR H . 27430 1 52 . 1 1 23 23 TYR HA H 1 5.214 0.001 . 1 . . . . . 668 TYR HA . 27430 1 53 . 1 1 23 23 TYR C C 13 172.068 0.011 . 1 . . . . . 668 TYR C . 27430 1 54 . 1 1 23 23 TYR CA C 13 58.308 0.011 . 1 . . . . . 668 TYR CA . 27430 1 55 . 1 1 23 23 TYR N N 15 128.064 0.010 . 1 . . . . . 668 TYR N . 27430 1 56 . 1 1 24 24 ASP H H 1 8.334 0.001 . 1 . . . . . 669 ASP H . 27430 1 57 . 1 1 24 24 ASP HA H 1 4.740 0.001 . 1 . . . . . 669 ASP HA . 27430 1 58 . 1 1 24 24 ASP C C 13 174.157 0.011 . 1 . . . . . 669 ASP C . 27430 1 59 . 1 1 24 24 ASP CA C 13 51.734 0.011 . 1 . . . . . 669 ASP CA . 27430 1 60 . 1 1 24 24 ASP N N 15 128.656 0.010 . 1 . . . . . 669 ASP N . 27430 1 61 . 1 1 25 25 GLU H H 1 9.000 0.001 . 1 . . . . . 670 GLU H . 27430 1 62 . 1 1 25 25 GLU HA H 1 4.156 0.001 . 1 . . . . . 670 GLU HA . 27430 1 63 . 1 1 25 25 GLU C C 13 177.089 0.011 . 1 . . . . . 670 GLU C . 27430 1 64 . 1 1 25 25 GLU CA C 13 58.401 0.011 . 1 . . . . . 670 GLU CA . 27430 1 65 . 1 1 25 25 GLU N N 15 126.431 0.010 . 1 . . . . . 670 GLU N . 27430 1 66 . 1 1 26 26 LYS H H 1 8.161 0.001 . 1 . . . . . 671 LYS H . 27430 1 67 . 1 1 26 26 LYS HA H 1 4.032 0.001 . 1 . . . . . 671 LYS HA . 27430 1 68 . 1 1 26 26 LYS C C 13 177.010 0.011 . 1 . . . . . 671 LYS C . 27430 1 69 . 1 1 26 26 LYS CA C 13 59.161 0.011 . 1 . . . . . 671 LYS CA . 27430 1 70 . 1 1 26 26 LYS N N 15 120.434 0.010 . 1 . . . . . 671 LYS N . 27430 1 71 . 1 1 27 27 ASN H H 1 7.270 0.001 . 1 . . . . . 672 ASN H . 27430 1 72 . 1 1 27 27 ASN HA H 1 4.736 0.001 . 1 . . . . . 672 ASN HA . 27430 1 73 . 1 1 27 27 ASN C C 13 172.586 0.011 . 1 . . . . . 672 ASN C . 27430 1 74 . 1 1 27 27 ASN CA C 13 52.470 0.011 . 1 . . . . . 672 ASN CA . 27430 1 75 . 1 1 27 27 ASN N N 15 113.499 0.010 . 1 . . . . . 672 ASN N . 27430 1 76 . 1 1 28 28 LYS H H 1 7.870 0.001 . 1 . . . . . 673 LYS H . 27430 1 77 . 1 1 28 28 LYS HA H 1 4.019 0.001 . 1 . . . . . 673 LYS HA . 27430 1 78 . 1 1 28 28 LYS C C 13 174.026 0.011 . 1 . . . . . 673 LYS C . 27430 1 79 . 1 1 28 28 LYS CA C 13 56.921 0.011 . 1 . . . . . 673 LYS CA . 27430 1 80 . 1 1 28 28 LYS N N 15 121.093 0.010 . 1 . . . . . 673 LYS N . 27430 1 81 . 1 1 29 29 GLN H H 1 7.541 0.001 . 1 . . . . . 674 GLN H . 27430 1 82 . 1 1 29 29 GLN HA H 1 5.400 0.001 . 1 . . . . . 674 GLN HA . 27430 1 83 . 1 1 29 29 GLN C C 13 172.239 0.011 . 1 . . . . . 674 GLN C . 27430 1 84 . 1 1 29 29 GLN CA C 13 54.181 0.011 . 1 . . . . . 674 GLN CA . 27430 1 85 . 1 1 29 29 GLN N N 15 114.403 0.010 . 1 . . . . . 674 GLN N . 27430 1 86 . 1 1 30 30 PHE H H 1 9.793 0.001 . 1 . . . . . 675 PHE H . 27430 1 87 . 1 1 30 30 PHE HA H 1 5.518 0.001 . 1 . . . . . 675 PHE HA . 27430 1 88 . 1 1 30 30 PHE C C 13 170.879 0.011 . 1 . . . . . 675 PHE C . 27430 1 89 . 1 1 30 30 PHE CA C 13 54.268 0.011 . 1 . . . . . 675 PHE CA . 27430 1 90 . 1 1 30 30 PHE N N 15 126.205 0.010 . 1 . . . . . 675 PHE N . 27430 1 91 . 1 1 31 31 ALA H H 1 8.742 0.001 . 1 . . . . . 676 ALA H . 27430 1 92 . 1 1 31 31 ALA HA H 1 4.423 0.001 . 1 . . . . . 676 ALA HA . 27430 1 93 . 1 1 31 31 ALA C C 13 174.202 0.011 . 1 . . . . . 676 ALA C . 27430 1 94 . 1 1 31 31 ALA CA C 13 50.233 0.011 . 1 . . . . . 676 ALA CA . 27430 1 95 . 1 1 31 31 ALA N N 15 130.519 0.010 . 1 . . . . . 676 ALA N . 27430 1 96 . 1 1 32 32 ILE H H 1 8.235 0.001 . 1 . . . . . 677 ILE H . 27430 1 97 . 1 1 32 32 ILE HA H 1 3.842 0.001 . 1 . . . . . 677 ILE HA . 27430 1 98 . 1 1 32 32 ILE C C 13 172.214 0.011 . 1 . . . . . 677 ILE C . 27430 1 99 . 1 1 32 32 ILE CA C 13 59.667 0.011 . 1 . . . . . 677 ILE CA . 27430 1 100 . 1 1 32 32 ILE N N 15 122.275 0.010 . 1 . . . . . 677 ILE N . 27430 1 101 . 1 1 33 33 LEU H H 1 8.878 0.001 . 1 . . . . . 678 LEU H . 27430 1 102 . 1 1 33 33 LEU HA H 1 4.840 0.001 . 1 . . . . . 678 LEU HA . 27430 1 103 . 1 1 33 33 LEU C C 13 174.253 0.011 . 1 . . . . . 678 LEU C . 27430 1 104 . 1 1 33 33 LEU CA C 13 53.337 0.011 . 1 . . . . . 678 LEU CA . 27430 1 105 . 1 1 33 33 LEU N N 15 128.350 0.010 . 1 . . . . . 678 LEU N . 27430 1 106 . 1 1 34 34 ILE H H 1 9.016 0.001 . 1 . . . . . 679 ILE H . 27430 1 107 . 1 1 34 34 ILE HA H 1 3.990 0.001 . 1 . . . . . 679 ILE HA . 27430 1 108 . 1 1 34 34 ILE C C 13 174.039 0.011 . 1 . . . . . 679 ILE C . 27430 1 109 . 1 1 34 34 ILE CA C 13 58.407 0.011 . 1 . . . . . 679 ILE CA . 27430 1 110 . 1 1 34 34 ILE N N 15 126.988 0.010 . 1 . . . . . 679 ILE N . 27430 1 111 . 1 1 35 35 ILE H H 1 8.300 0.001 . 1 . . . . . 680 ILE H . 27430 1 112 . 1 1 35 35 ILE HA H 1 3.965 0.001 . 1 . . . . . 680 ILE HA . 27430 1 113 . 1 1 35 35 ILE C C 13 175.563 0.011 . 1 . . . . . 680 ILE C . 27430 1 114 . 1 1 35 35 ILE CA C 13 65.548 0.011 . 1 . . . . . 680 ILE CA . 27430 1 115 . 1 1 35 35 ILE N N 15 127.625 0.010 . 1 . . . . . 680 ILE N . 27430 1 116 . 1 1 36 36 GLN H H 1 7.219 0.001 . 1 . . . . . 681 GLN H . 27430 1 117 . 1 1 36 36 GLN HA H 1 5.691 0.001 . 1 . . . . . 681 GLN HA . 27430 1 118 . 1 1 36 36 GLN C C 13 170.696 0.011 . 1 . . . . . 681 GLN C . 27430 1 119 . 1 1 36 36 GLN CA C 13 54.114 0.011 . 1 . . . . . 681 GLN CA . 27430 1 120 . 1 1 36 36 GLN N N 15 110.454 0.010 . 1 . . . . . 681 GLN N . 27430 1 121 . 1 1 37 37 LEU H H 1 9.566 0.001 . 1 . . . . . 682 LEU H . 27430 1 122 . 1 1 37 37 LEU HA H 1 5.643 0.001 . 1 . . . . . 682 LEU HA . 27430 1 123 . 1 1 37 37 LEU C C 13 174.223 0.011 . 1 . . . . . 682 LEU C . 27430 1 124 . 1 1 37 37 LEU CA C 13 53.859 0.011 . 1 . . . . . 682 LEU CA . 27430 1 125 . 1 1 37 37 LEU N N 15 123.588 0.010 . 1 . . . . . 682 LEU N . 27430 1 126 . 1 1 38 38 SER H H 1 9.605 0.001 . 1 . . . . . 683 SER H . 27430 1 127 . 1 1 38 38 SER HA H 1 4.843 0.001 . 1 . . . . . 683 SER HA . 27430 1 128 . 1 1 38 38 SER C C 13 172.628 0.000 . 1 . . . . . 683 SER C . 27430 1 129 . 1 1 38 38 SER CA C 13 56.959 0.011 . 1 . . . . . 683 SER CA . 27430 1 130 . 1 1 38 38 SER N N 15 119.714 0.010 . 1 . . . . . 683 SER N . 27430 1 131 . 1 1 39 39 ASN H H 1 8.653 0.001 . 1 . . . . . 684 ASN H . 27430 1 132 . 1 1 39 39 ASN HA H 1 4.843 0.001 . 1 . . . . . 684 ASN HA . 27430 1 133 . 1 1 39 39 ASN C C 13 176.996 0.011 . 1 . . . . . 684 ASN C . 27430 1 134 . 1 1 39 39 ASN CA C 13 53.684 0.011 . 1 . . . . . 684 ASN CA . 27430 1 135 . 1 1 39 39 ASN N N 15 121.169 0.010 . 1 . . . . . 684 ASN N . 27430 1 136 . 1 1 40 40 LEU H H 1 9.376 0.001 . 1 . . . . . 685 LEU H . 27430 1 137 . 1 1 40 40 LEU HA H 1 4.837 0.001 . 1 . . . . . 685 LEU HA . 27430 1 138 . 1 1 40 40 LEU C C 13 176.915 0.011 . 1 . . . . . 685 LEU C . 27430 1 139 . 1 1 40 40 LEU CA C 13 57.676 0.011 . 1 . . . . . 685 LEU CA . 27430 1 140 . 1 1 40 40 LEU N N 15 123.930 0.010 . 1 . . . . . 685 LEU N . 27430 1 141 . 1 1 41 41 SER H H 1 9.102 0.001 . 1 . . . . . 686 SER H . 27430 1 142 . 1 1 41 41 SER HA H 1 4.250 0.001 . 1 . . . . . 686 SER HA . 27430 1 143 . 1 1 41 41 SER C C 13 173.931 0.000 . 1 . . . . . 686 SER C . 27430 1 144 . 1 1 41 41 SER CA C 13 61.107 0.011 . 1 . . . . . 686 SER CA . 27430 1 145 . 1 1 41 41 SER N N 15 113.681 0.010 . 1 . . . . . 686 SER N . 27430 1 146 . 1 1 42 42 ALA H H 1 7.163 0.001 . 1 . . . . . 687 ALA H . 27430 1 147 . 1 1 42 42 ALA HA H 1 4.046 0.001 . 1 . . . . . 687 ALA HA . 27430 1 148 . 1 1 42 42 ALA C C 13 177.307 0.011 . 1 . . . . . 687 ALA C . 27430 1 149 . 1 1 42 42 ALA CA C 13 54.413 0.011 . 1 . . . . . 687 ALA CA . 27430 1 150 . 1 1 42 42 ALA N N 15 123.203 0.010 . 1 . . . . . 687 ALA N . 27430 1 151 . 1 1 43 43 LEU H H 1 7.667 0.001 . 1 . . . . . 688 LEU H . 27430 1 152 . 1 1 43 43 LEU HA H 1 4.500 0.001 . 1 . . . . . 688 LEU HA . 27430 1 153 . 1 1 43 43 LEU C C 13 175.515 0.011 . 1 . . . . . 688 LEU C . 27430 1 154 . 1 1 43 43 LEU CA C 13 54.945 0.011 . 1 . . . . . 688 LEU CA . 27430 1 155 . 1 1 43 43 LEU N N 15 116.511 0.010 . 1 . . . . . 688 LEU N . 27430 1 156 . 1 1 44 44 LEU H H 1 7.791 0.001 . 1 . . . . . 689 LEU H . 27430 1 157 . 1 1 44 44 LEU HA H 1 4.421 0.001 . 1 . . . . . 689 LEU HA . 27430 1 158 . 1 1 44 44 LEU C C 13 174.299 0.011 . 1 . . . . . 689 LEU C . 27430 1 159 . 1 1 44 44 LEU CA C 13 54.518 0.011 . 1 . . . . . 689 LEU CA . 27430 1 160 . 1 1 44 44 LEU N N 15 120.061 0.010 . 1 . . . . . 689 LEU N . 27430 1 161 . 1 1 45 45 GLN H H 1 8.583 0.001 . 1 . . . . . 690 GLN H . 27430 1 162 . 1 1 45 45 GLN HA H 1 4.344 0.001 . 1 . . . . . 690 GLN HA . 27430 1 163 . 1 1 45 45 GLN C C 13 174.975 0.011 . 1 . . . . . 690 GLN C . 27430 1 164 . 1 1 45 45 GLN CA C 13 56.451 0.011 . 1 . . . . . 690 GLN CA . 27430 1 165 . 1 1 45 45 GLN N N 15 123.652 0.010 . 1 . . . . . 690 GLN N . 27430 1 166 . 1 1 46 46 GLN H H 1 7.633 0.001 . 1 . . . . . 691 GLN H . 27430 1 167 . 1 1 46 46 GLN HA H 1 4.330 0.001 . 1 . . . . . 691 GLN HA . 27430 1 168 . 1 1 46 46 GLN C C 13 174.517 0.011 . 1 . . . . . 691 GLN C . 27430 1 169 . 1 1 46 46 GLN CA C 13 55.757 0.011 . 1 . . . . . 691 GLN CA . 27430 1 170 . 1 1 46 46 GLN N N 15 119.490 0.010 . 1 . . . . . 691 GLN N . 27430 1 171 . 1 1 47 47 GLN H H 1 8.438 0.001 . 1 . . . . . 692 GLN H . 27430 1 172 . 1 1 47 47 GLN HA H 1 4.240 0.001 . 1 . . . . . 692 GLN HA . 27430 1 173 . 1 1 47 47 GLN C C 13 174.460 0.011 . 1 . . . . . 692 GLN C . 27430 1 174 . 1 1 47 47 GLN CA C 13 56.051 0.011 . 1 . . . . . 692 GLN CA . 27430 1 175 . 1 1 47 47 GLN N N 15 121.248 0.010 . 1 . . . . . 692 GLN N . 27430 1 176 . 1 1 48 48 ASP H H 1 8.452 0.001 . 1 . . . . . 693 ASP H . 27430 1 177 . 1 1 48 48 ASP HA H 1 4.633 0.001 . 1 . . . . . 693 ASP HA . 27430 1 178 . 1 1 48 48 ASP C C 13 174.477 0.011 . 1 . . . . . 693 ASP C . 27430 1 179 . 1 1 48 48 ASP CA C 13 54.026 0.011 . 1 . . . . . 693 ASP CA . 27430 1 180 . 1 1 48 48 ASP N N 15 119.293 0.010 . 1 . . . . . 693 ASP N . 27430 1 181 . 1 1 49 49 GLN H H 1 7.661 0.001 . 1 . . . . . 694 GLN H . 27430 1 182 . 1 1 49 49 GLN HA H 1 4.584 0.001 . 1 . . . . . 694 GLN HA . 27430 1 183 . 1 1 49 49 GLN C C 13 174.072 0.011 . 1 . . . . . 694 GLN C . 27430 1 184 . 1 1 49 49 GLN CA C 13 54.800 0.011 . 1 . . . . . 694 GLN CA . 27430 1 185 . 1 1 49 49 GLN N N 15 117.807 0.010 . 1 . . . . . 694 GLN N . 27430 1 186 . 1 1 50 50 LYS H H 1 8.463 0.001 . 1 . . . . . 695 LYS H . 27430 1 187 . 1 1 50 50 LYS HA H 1 4.894 0.001 . 1 . . . . . 695 LYS HA . 27430 1 188 . 1 1 50 50 LYS C C 13 175.919 0.011 . 1 . . . . . 695 LYS C . 27430 1 189 . 1 1 50 50 LYS CA C 13 55.097 0.011 . 1 . . . . . 695 LYS CA . 27430 1 190 . 1 1 50 50 LYS N N 15 120.793 0.010 . 1 . . . . . 695 LYS N . 27430 1 191 . 1 1 51 51 VAL H H 1 9.218 0.001 . 1 . . . . . 696 VAL H . 27430 1 192 . 1 1 51 51 VAL HA H 1 5.211 0.001 . 1 . . . . . 696 VAL HA . 27430 1 193 . 1 1 51 51 VAL C C 13 173.361 0.011 . 1 . . . . . 696 VAL C . 27430 1 194 . 1 1 51 51 VAL CA C 13 59.594 0.011 . 1 . . . . . 696 VAL CA . 27430 1 195 . 1 1 51 51 VAL N N 15 118.516 0.010 . 1 . . . . . 696 VAL N . 27430 1 196 . 1 1 52 52 ASN H H 1 9.200 0.001 . 1 . . . . . 697 ASN H . 27430 1 197 . 1 1 52 52 ASN HA H 1 4.780 0.001 . 1 . . . . . 697 ASN HA . 27430 1 198 . 1 1 52 52 ASN C C 13 170.921 0.011 . 1 . . . . . 697 ASN C . 27430 1 199 . 1 1 52 52 ASN CA C 13 51.339 0.011 . 1 . . . . . 697 ASN CA . 27430 1 200 . 1 1 52 52 ASN N N 15 119.686 0.010 . 1 . . . . . 697 ASN N . 27430 1 201 . 1 1 53 53 ILE H H 1 8.050 0.001 . 1 . . . . . 698 ILE H . 27430 1 202 . 1 1 53 53 ILE HA H 1 4.889 0.001 . 1 . . . . . 698 ILE HA . 27430 1 203 . 1 1 53 53 ILE C C 13 173.488 0.011 . 1 . . . . . 698 ILE C . 27430 1 204 . 1 1 53 53 ILE CA C 13 57.413 0.011 . 1 . . . . . 698 ILE CA . 27430 1 205 . 1 1 53 53 ILE N N 15 119.829 0.010 . 1 . . . . . 698 ILE N . 27430 1 206 . 1 1 54 54 ARG H H 1 9.042 0.001 . 1 . . . . . 699 ARG H . 27430 1 207 . 1 1 54 54 ARG HA H 1 4.980 0.001 . 1 . . . . . 699 ARG HA . 27430 1 208 . 1 1 54 54 ARG C C 13 173.985 0.011 . 1 . . . . . 699 ARG C . 27430 1 209 . 1 1 54 54 ARG CA C 13 54.331 0.011 . 1 . . . . . 699 ARG CA . 27430 1 210 . 1 1 54 54 ARG N N 15 129.545 0.010 . 1 . . . . . 699 ARG N . 27430 1 211 . 1 1 55 55 VAL H H 1 9.188 0.001 . 1 . . . . . 700 VAL H . 27430 1 212 . 1 1 55 55 VAL HA H 1 4.897 0.001 . 1 . . . . . 700 VAL HA . 27430 1 213 . 1 1 55 55 VAL C C 13 171.976 0.011 . 1 . . . . . 700 VAL C . 27430 1 214 . 1 1 55 55 VAL CA C 13 60.373 0.011 . 1 . . . . . 700 VAL CA . 27430 1 215 . 1 1 55 55 VAL N N 15 127.568 0.010 . 1 . . . . . 700 VAL N . 27430 1 216 . 1 1 56 56 ALA H H 1 9.155 0.001 . 1 . . . . . 701 ALA H . 27430 1 217 . 1 1 56 56 ALA HA H 1 5.538 0.001 . 1 . . . . . 701 ALA HA . 27430 1 218 . 1 1 56 56 ALA C C 13 174.911 0.011 . 1 . . . . . 701 ALA C . 27430 1 219 . 1 1 56 56 ALA CA C 13 49.962 0.011 . 1 . . . . . 701 ALA CA . 27430 1 220 . 1 1 56 56 ALA N N 15 128.742 0.010 . 1 . . . . . 701 ALA N . 27430 1 221 . 1 1 57 57 VAL H H 1 8.362 0.001 . 1 . . . . . 702 VAL H . 27430 1 222 . 1 1 57 57 VAL HA H 1 4.479 0.001 . 1 . . . . . 702 VAL HA . 27430 1 223 . 1 1 57 57 VAL C C 13 173.649 0.011 . 1 . . . . . 702 VAL C . 27430 1 224 . 1 1 57 57 VAL CA C 13 62.027 0.011 . 1 . . . . . 702 VAL CA . 27430 1 225 . 1 1 57 57 VAL N N 15 123.772 0.010 . 1 . . . . . 702 VAL N . 27430 1 226 . 1 1 58 58 LEU H H 1 8.849 0.001 . 1 . . . . . 703 LEU H . 27430 1 227 . 1 1 58 58 LEU HA H 1 4.626 0.001 . 1 . . . . . 703 LEU HA . 27430 1 228 . 1 1 58 58 LEU C C 13 174.456 0.011 . 1 . . . . . 703 LEU C . 27430 1 229 . 1 1 58 58 LEU CA C 13 52.278 0.011 . 1 . . . . . 703 LEU CA . 27430 1 230 . 1 1 58 58 LEU N N 15 125.903 0.011 . 1 . . . . . 703 LEU N . 27430 1 231 . 1 1 63 63 SER HA H 1 4.377 0.001 . 1 . . . . . 708 SER HA . 27430 1 232 . 1 1 63 63 SER C C 13 173.577 0.011 . 1 . . . . . 708 SER C . 27430 1 233 . 1 1 63 63 SER CA C 13 59.453 0.011 . 1 . . . . . 708 SER CA . 27430 1 234 . 1 1 64 64 THR H H 1 7.828 0.001 . 1 . . . . . 709 THR H . 27430 1 235 . 1 1 64 64 THR HA H 1 4.493 0.001 . 1 . . . . . 709 THR HA . 27430 1 236 . 1 1 64 64 THR C C 13 173.506 0.011 . 1 . . . . . 709 THR C . 27430 1 237 . 1 1 64 64 THR CA C 13 61.883 0.011 . 1 . . . . . 709 THR CA . 27430 1 238 . 1 1 64 64 THR N N 15 113.683 0.010 . 1 . . . . . 709 THR N . 27430 1 239 . 1 1 65 65 THR H H 1 8.116 0.001 . 1 . . . . . 710 THR H . 27430 1 240 . 1 1 65 65 THR HA H 1 4.351 0.001 . 1 . . . . . 710 THR HA . 27430 1 241 . 1 1 65 65 THR C C 13 173.444 0.011 . 1 . . . . . 710 THR C . 27430 1 242 . 1 1 65 65 THR CA C 13 62.540 0.011 . 1 . . . . . 710 THR CA . 27430 1 243 . 1 1 65 65 THR N N 15 116.101 0.010 . 1 . . . . . 710 THR N . 27430 1 244 . 1 1 66 66 CYS H H 1 8.282 0.001 . 1 . . . . . 711 CYS H . 27430 1 245 . 1 1 66 66 CYS C C 13 170.468 0.011 . 1 . . . . . 711 CYS C . 27430 1 246 . 1 1 66 66 CYS CA C 13 54.710 0.011 . 1 . . . . . 711 CYS CA . 27430 1 247 . 1 1 66 66 CYS N N 15 119.812 0.010 . 1 . . . . . 711 CYS N . 27430 1 248 . 1 1 67 67 LEU H H 1 6.877 0.001 . 1 . . . . . 712 LEU H . 27430 1 249 . 1 1 67 67 LEU HA H 1 5.099 0.001 . 1 . . . . . 712 LEU HA . 27430 1 250 . 1 1 67 67 LEU C C 13 173.450 0.011 . 1 . . . . . 712 LEU C . 27430 1 251 . 1 1 67 67 LEU CA C 13 54.107 0.011 . 1 . . . . . 712 LEU CA . 27430 1 252 . 1 1 67 67 LEU N N 15 121.663 0.010 . 1 . . . . . 712 LEU N . 27430 1 253 . 1 1 68 68 PHE H H 1 9.141 0.001 . 1 . . . . . 713 PHE H . 27430 1 254 . 1 1 68 68 PHE HA H 1 4.530 0.001 . 1 . . . . . 713 PHE HA . 27430 1 255 . 1 1 68 68 PHE C C 13 173.102 0.011 . 1 . . . . . 713 PHE C . 27430 1 256 . 1 1 68 68 PHE CA C 13 55.440 0.011 . 1 . . . . . 713 PHE CA . 27430 1 257 . 1 1 68 68 PHE N N 15 124.477 0.010 . 1 . . . . . 713 PHE N . 27430 1 258 . 1 1 69 69 ARG H H 1 8.261 0.001 . 1 . . . . . 714 ARG H . 27430 1 259 . 1 1 69 69 ARG HA H 1 5.401 0.001 . 1 . . . . . 714 ARG HA . 27430 1 260 . 1 1 69 69 ARG C C 13 175.937 0.011 . 1 . . . . . 714 ARG C . 27430 1 261 . 1 1 69 69 ARG CA C 13 54.631 0.011 . 1 . . . . . 714 ARG CA . 27430 1 262 . 1 1 69 69 ARG N N 15 119.696 0.010 . 1 . . . . . 714 ARG N . 27430 1 263 . 1 1 70 70 THR H H 1 8.361 0.001 . 1 . . . . . 715 THR H . 27430 1 264 . 1 1 70 70 THR HA H 1 4.774 0.001 . 1 . . . . . 715 THR HA . 27430 1 265 . 1 1 70 70 THR C C 13 173.821 0.011 . 1 . . . . . 715 THR C . 27430 1 266 . 1 1 70 70 THR CA C 13 61.353 0.011 . 1 . . . . . 715 THR CA . 27430 1 267 . 1 1 70 70 THR N N 15 111.785 0.010 . 1 . . . . . 715 THR N . 27430 1 268 . 1 1 71 71 ARG H H 1 9.714 0.001 . 1 . . . . . 716 ARG H . 27430 1 269 . 1 1 71 71 ARG HA H 1 4.688 0.001 . 1 . . . . . 716 ARG HA . 27430 1 270 . 1 1 71 71 ARG C C 13 173.506 0.011 . 1 . . . . . 716 ARG C . 27430 1 271 . 1 1 71 71 ARG CA C 13 54.869 0.011 . 1 . . . . . 716 ARG CA . 27430 1 272 . 1 1 71 71 ARG N N 15 122.745 0.010 . 1 . . . . . 716 ARG N . 27430 1 273 . 1 1 72 72 PRO C C 13 175.958 0.011 . 1 . . . . . 717 PRO C . 27430 1 274 . 1 1 72 72 PRO CA C 13 61.171 0.011 . 1 . . . . . 717 PRO CA . 27430 1 275 . 1 1 73 73 LEU H H 1 8.989 0.001 . 1 . . . . . 718 LEU H . 27430 1 276 . 1 1 73 73 LEU HA H 1 4.767 0.001 . 1 . . . . . 718 LEU HA . 27430 1 277 . 1 1 73 73 LEU C C 13 175.582 0.011 . 1 . . . . . 718 LEU C . 27430 1 278 . 1 1 73 73 LEU CA C 13 52.970 0.011 . 1 . . . . . 718 LEU CA . 27430 1 279 . 1 1 73 73 LEU N N 15 123.130 0.010 . 1 . . . . . 718 LEU N . 27430 1 280 . 1 1 74 74 ASP H H 1 8.229 0.001 . 1 . . . . . 719 ASP H . 27430 1 281 . 1 1 74 74 ASP HA H 1 4.469 0.001 . 1 . . . . . 719 ASP HA . 27430 1 282 . 1 1 74 74 ASP C C 13 175.094 0.011 . 1 . . . . . 719 ASP C . 27430 1 283 . 1 1 74 74 ASP CA C 13 55.546 0.011 . 1 . . . . . 719 ASP CA . 27430 1 284 . 1 1 74 74 ASP N N 15 121.115 0.010 . 1 . . . . . 719 ASP N . 27430 1 285 . 1 1 75 75 ALA H H 1 8.167 0.001 . 1 . . . . . 720 ALA H . 27430 1 286 . 1 1 75 75 ALA HA H 1 4.415 0.001 . 1 . . . . . 720 ALA HA . 27430 1 287 . 1 1 75 75 ALA C C 13 175.084 0.011 . 1 . . . . . 720 ALA C . 27430 1 288 . 1 1 75 75 ALA CA C 13 54.358 0.011 . 1 . . . . . 720 ALA CA . 27430 1 289 . 1 1 75 75 ALA N N 15 122.818 0.010 . 1 . . . . . 720 ALA N . 27430 1 290 . 1 1 76 76 SER H H 1 6.877 0.001 . 1 . . . . . 721 SER H . 27430 1 291 . 1 1 76 76 SER HA H 1 4.400 0.001 . 1 . . . . . 721 SER HA . 27430 1 292 . 1 1 76 76 SER C C 13 172.170 0.011 . 1 . . . . . 721 SER C . 27430 1 293 . 1 1 76 76 SER CA C 13 57.084 0.011 . 1 . . . . . 721 SER CA . 27430 1 294 . 1 1 76 76 SER N N 15 114.431 0.010 . 1 . . . . . 721 SER N . 27430 1 295 . 1 1 77 77 ASP H H 1 8.284 0.001 . 1 . . . . . 722 ASP H . 27430 1 296 . 1 1 77 77 ASP HA H 1 4.646 0.001 . 1 . . . . . 722 ASP HA . 27430 1 297 . 1 1 77 77 ASP C C 13 175.692 0.011 . 1 . . . . . 722 ASP C . 27430 1 298 . 1 1 77 77 ASP CA C 13 58.482 0.011 . 1 . . . . . 722 ASP CA . 27430 1 299 . 1 1 77 77 ASP N N 15 120.792 0.010 . 1 . . . . . 722 ASP N . 27430 1 300 . 1 1 78 78 THR H H 1 7.666 0.001 . 1 . . . . . 723 THR H . 27430 1 301 . 1 1 78 78 THR HA H 1 5.089 0.001 . 1 . . . . . 723 THR HA . 27430 1 302 . 1 1 78 78 THR C C 13 172.498 0.011 . 1 . . . . . 723 THR C . 27430 1 303 . 1 1 78 78 THR CA C 13 61.259 0.011 . 1 . . . . . 723 THR CA . 27430 1 304 . 1 1 78 78 THR N N 15 111.046 0.010 . 1 . . . . . 723 THR N . 27430 1 305 . 1 1 79 79 LEU H H 1 8.582 0.001 . 1 . . . . . 724 LEU H . 27430 1 306 . 1 1 79 79 LEU HA H 1 4.585 0.001 . 1 . . . . . 724 LEU HA . 27430 1 307 . 1 1 79 79 LEU C C 13 172.456 0.011 . 1 . . . . . 724 LEU C . 27430 1 308 . 1 1 79 79 LEU CA C 13 53.242 0.011 . 1 . . . . . 724 LEU CA . 27430 1 309 . 1 1 79 79 LEU N N 15 126.870 0.010 . 1 . . . . . 724 LEU N . 27430 1 310 . 1 1 80 80 VAL H H 1 8.453 0.001 . 1 . . . . . 725 VAL H . 27430 1 311 . 1 1 80 80 VAL HA H 1 4.158 0.001 . 1 . . . . . 725 VAL HA . 27430 1 312 . 1 1 80 80 VAL C C 13 173.796 0.011 . 1 . . . . . 725 VAL C . 27430 1 313 . 1 1 80 80 VAL CA C 13 62.239 0.011 . 1 . . . . . 725 VAL CA . 27430 1 314 . 1 1 80 80 VAL N N 15 124.807 0.010 . 1 . . . . . 725 VAL N . 27430 1 315 . 1 1 81 81 PHE H H 1 8.332 0.001 . 1 . . . . . 726 PHE H . 27430 1 316 . 1 1 81 81 PHE HA H 1 4.433 0.001 . 1 . . . . . 726 PHE HA . 27430 1 317 . 1 1 81 81 PHE C C 13 174.620 0.011 . 1 . . . . . 726 PHE C . 27430 1 318 . 1 1 81 81 PHE CA C 13 59.916 0.011 . 1 . . . . . 726 PHE CA . 27430 1 319 . 1 1 81 81 PHE N N 15 124.288 0.010 . 1 . . . . . 726 PHE N . 27430 1 320 . 1 1 82 82 ASN H H 1 8.572 0.001 . 1 . . . . . 727 ASN H . 27430 1 321 . 1 1 82 82 ASN HA H 1 4.393 0.001 . 1 . . . . . 727 ASN HA . 27430 1 322 . 1 1 82 82 ASN C C 13 173.064 0.011 . 1 . . . . . 727 ASN C . 27430 1 323 . 1 1 82 82 ASN CA C 13 54.478 0.011 . 1 . . . . . 727 ASN CA . 27430 1 324 . 1 1 82 82 ASN N N 15 119.903 0.010 . 1 . . . . . 727 ASN N . 27430 1 325 . 1 1 83 83 GLU H H 1 7.727 0.001 . 1 . . . . . 728 GLU H . 27430 1 326 . 1 1 83 83 GLU HA H 1 4.523 0.001 . 1 . . . . . 728 GLU HA . 27430 1 327 . 1 1 83 83 GLU C C 13 172.293 0.011 . 1 . . . . . 728 GLU C . 27430 1 328 . 1 1 83 83 GLU CA C 13 56.409 0.011 . 1 . . . . . 728 GLU CA . 27430 1 329 . 1 1 83 83 GLU N N 15 117.845 0.010 . 1 . . . . . 728 GLU N . 27430 1 330 . 1 1 84 84 VAL H H 1 7.878 0.001 . 1 . . . . . 729 VAL H . 27430 1 331 . 1 1 84 84 VAL HA H 1 4.768 0.001 . 1 . . . . . 729 VAL HA . 27430 1 332 . 1 1 84 84 VAL C C 13 171.828 0.011 . 1 . . . . . 729 VAL C . 27430 1 333 . 1 1 84 84 VAL CA C 13 58.418 0.011 . 1 . . . . . 729 VAL CA . 27430 1 334 . 1 1 84 84 VAL N N 15 122.959 0.010 . 1 . . . . . 729 VAL N . 27430 1 335 . 1 1 85 85 PHE H H 1 8.344 0.001 . 1 . . . . . 730 PHE H . 27430 1 336 . 1 1 85 85 PHE HA H 1 4.540 0.001 . 1 . . . . . 730 PHE HA . 27430 1 337 . 1 1 85 85 PHE C C 13 172.518 0.011 . 1 . . . . . 730 PHE C . 27430 1 338 . 1 1 85 85 PHE CA C 13 55.093 0.011 . 1 . . . . . 730 PHE CA . 27430 1 339 . 1 1 85 85 PHE N N 15 126.529 0.010 . 1 . . . . . 730 PHE N . 27430 1 340 . 1 1 86 86 TRP H H 1 8.169 0.001 . 1 . . . . . 731 TRP H . 27430 1 341 . 1 1 86 86 TRP HA H 1 5.367 0.001 . 1 . . . . . 731 TRP HA . 27430 1 342 . 1 1 86 86 TRP C C 13 174.953 0.011 . 1 . . . . . 731 TRP C . 27430 1 343 . 1 1 86 86 TRP CA C 13 55.556 0.011 . 1 . . . . . 731 TRP CA . 27430 1 344 . 1 1 86 86 TRP N N 15 121.551 0.010 . 1 . . . . . 731 TRP N . 27430 1 345 . 1 1 87 87 VAL H H 1 9.455 0.001 . 1 . . . . . 732 VAL H . 27430 1 346 . 1 1 87 87 VAL HA H 1 4.565 0.001 . 1 . . . . . 732 VAL HA . 27430 1 347 . 1 1 87 87 VAL C C 13 174.883 0.011 . 1 . . . . . 732 VAL C . 27430 1 348 . 1 1 87 87 VAL CA C 13 60.670 0.011 . 1 . . . . . 732 VAL CA . 27430 1 349 . 1 1 87 87 VAL N N 15 121.918 0.010 . 1 . . . . . 732 VAL N . 27430 1 350 . 1 1 88 88 SER H H 1 8.963 0.001 . 1 . . . . . 733 SER H . 27430 1 351 . 1 1 88 88 SER HA H 1 5.178 0.001 . 1 . . . . . 733 SER HA . 27430 1 352 . 1 1 88 88 SER C C 13 174.858 0.011 . 1 . . . . . 733 SER C . 27430 1 353 . 1 1 88 88 SER CA C 13 57.899 0.011 . 1 . . . . . 733 SER CA . 27430 1 354 . 1 1 88 88 SER N N 15 124.960 0.010 . 1 . . . . . 733 SER N . 27430 1 355 . 1 1 89 89 ILE H H 1 8.179 0.001 . 1 . . . . . 734 ILE H . 27430 1 356 . 1 1 89 89 ILE HA H 1 4.463 0.001 . 1 . . . . . 734 ILE HA . 27430 1 357 . 1 1 89 89 ILE C C 13 170.871 0.011 . 1 . . . . . 734 ILE C . 27430 1 358 . 1 1 89 89 ILE CA C 13 60.650 0.011 . 1 . . . . . 734 ILE CA . 27430 1 359 . 1 1 89 89 ILE N N 15 127.572 0.010 . 1 . . . . . 734 ILE N . 27430 1 360 . 1 1 90 90 ALA H H 1 8.599 0.001 . 1 . . . . . 735 ALA H . 27430 1 361 . 1 1 90 90 ALA HA H 1 4.494 0.001 . 1 . . . . . 735 ALA HA . 27430 1 362 . 1 1 90 90 ALA C C 13 176.657 0.011 . 1 . . . . . 735 ALA C . 27430 1 363 . 1 1 90 90 ALA CA C 13 51.782 0.011 . 1 . . . . . 735 ALA CA . 27430 1 364 . 1 1 90 90 ALA N N 15 130.467 0.010 . 1 . . . . . 735 ALA N . 27430 1 365 . 1 1 91 91 TYR H H 1 8.965 0.001 . 1 . . . . . 736 TYR H . 27430 1 366 . 1 1 91 91 TYR HA H 1 5.330 0.001 . 1 . . . . . 736 TYR HA . 27430 1 367 . 1 1 91 91 TYR C C 13 176.623 0.011 . 1 . . . . . 736 TYR C . 27430 1 368 . 1 1 91 91 TYR CA C 13 63.779 0.011 . 1 . . . . . 736 TYR CA . 27430 1 369 . 1 1 91 91 TYR N N 15 124.657 0.010 . 1 . . . . . 736 TYR N . 27430 1 370 . 1 1 92 92 PRO C C 13 177.013 0.011 . 1 . . . . . 737 PRO C . 27430 1 371 . 1 1 92 92 PRO CA C 13 65.642 0.011 . 1 . . . . . 737 PRO CA . 27430 1 372 . 1 1 93 93 ALA H H 1 6.700 0.001 . 1 . . . . . 738 ALA H . 27430 1 373 . 1 1 93 93 ALA HA H 1 4.137 0.001 . 1 . . . . . 738 ALA HA . 27430 1 374 . 1 1 93 93 ALA C C 13 178.576 0.011 . 1 . . . . . 738 ALA C . 27430 1 375 . 1 1 93 93 ALA CA C 13 53.425 0.011 . 1 . . . . . 738 ALA CA . 27430 1 376 . 1 1 93 93 ALA N N 15 116.963 0.010 . 1 . . . . . 738 ALA N . 27430 1 377 . 1 1 94 94 LEU H H 1 7.652 0.001 . 1 . . . . . 739 LEU H . 27430 1 378 . 1 1 94 94 LEU HA H 1 3.458 0.001 . 1 . . . . . 739 LEU HA . 27430 1 379 . 1 1 94 94 LEU C C 13 176.453 0.011 . 1 . . . . . 739 LEU C . 27430 1 380 . 1 1 94 94 LEU CA C 13 57.832 0.011 . 1 . . . . . 739 LEU CA . 27430 1 381 . 1 1 94 94 LEU N N 15 120.990 0.010 . 1 . . . . . 739 LEU N . 27430 1 382 . 1 1 95 95 HIS H H 1 7.464 0.001 . 1 . . . . . 740 HIS H . 27430 1 383 . 1 1 95 95 HIS C C 13 174.045 0.011 . 1 . . . . . 740 HIS C . 27430 1 384 . 1 1 95 95 HIS CA C 13 57.857 0.011 . 1 . . . . . 740 HIS CA . 27430 1 385 . 1 1 95 95 HIS N N 15 112.306 0.010 . 1 . . . . . 740 HIS N . 27430 1 386 . 1 1 96 96 GLN H H 1 7.022 0.001 . 1 . . . . . 741 GLN H . 27430 1 387 . 1 1 96 96 GLN HA H 1 4.293 0.001 . 1 . . . . . 741 GLN HA . 27430 1 388 . 1 1 96 96 GLN C C 13 175.262 0.011 . 1 . . . . . 741 GLN C . 27430 1 389 . 1 1 96 96 GLN CA C 13 54.927 0.011 . 1 . . . . . 741 GLN CA . 27430 1 390 . 1 1 96 96 GLN N N 15 114.679 0.010 . 1 . . . . . 741 GLN N . 27430 1 391 . 1 1 97 97 LYS H H 1 7.595 0.001 . 1 . . . . . 742 LYS H . 27430 1 392 . 1 1 97 97 LYS HA H 1 4.941 0.001 . 1 . . . . . 742 LYS HA . 27430 1 393 . 1 1 97 97 LYS C C 13 174.917 0.011 . 1 . . . . . 742 LYS C . 27430 1 394 . 1 1 97 97 LYS CA C 13 54.761 0.011 . 1 . . . . . 742 LYS CA . 27430 1 395 . 1 1 97 97 LYS N N 15 119.203 0.010 . 1 . . . . . 742 LYS N . 27430 1 396 . 1 1 99 99 LEU HA H 1 5.294 0.001 . 1 . . . . . 744 LEU HA . 27430 1 397 . 1 1 99 99 LEU C C 13 174.042 0.011 . 1 . . . . . 744 LEU C . 27430 1 398 . 1 1 99 99 LEU CA C 13 52.698 0.011 . 1 . . . . . 744 LEU CA . 27430 1 399 . 1 1 100 100 ARG H H 1 9.461 0.001 . 1 . . . . . 745 ARG H . 27430 1 400 . 1 1 100 100 ARG HA H 1 5.209 0.001 . 1 . . . . . 745 ARG HA . 27430 1 401 . 1 1 100 100 ARG C C 13 173.957 0.011 . 1 . . . . . 745 ARG C . 27430 1 402 . 1 1 100 100 ARG CA C 13 54.131 0.011 . 1 . . . . . 745 ARG CA . 27430 1 403 . 1 1 100 100 ARG N N 15 127.810 0.010 . 1 . . . . . 745 ARG N . 27430 1 404 . 1 1 101 101 VAL H H 1 8.672 0.001 . 1 . . . . . 746 VAL H . 27430 1 405 . 1 1 101 101 VAL HA H 1 5.209 0.001 . 1 . . . . . 746 VAL HA . 27430 1 406 . 1 1 101 101 VAL C C 13 172.721 0.011 . 1 . . . . . 746 VAL C . 27430 1 407 . 1 1 101 101 VAL CA C 13 59.290 0.011 . 1 . . . . . 746 VAL CA . 27430 1 408 . 1 1 101 101 VAL N N 15 125.557 0.010 . 1 . . . . . 746 VAL N . 27430 1 409 . 1 1 102 102 ASP H H 1 8.947 0.001 . 1 . . . . . 747 ASP H . 27430 1 410 . 1 1 102 102 ASP HA H 1 5.766 0.001 . 1 . . . . . 747 ASP HA . 27430 1 411 . 1 1 102 102 ASP C C 13 173.242 0.011 . 1 . . . . . 747 ASP C . 27430 1 412 . 1 1 102 102 ASP CA C 13 53.268 0.011 . 1 . . . . . 747 ASP CA . 27430 1 413 . 1 1 102 102 ASP N N 15 122.653 0.010 . 1 . . . . . 747 ASP N . 27430 1 414 . 1 1 103 103 VAL H H 1 8.698 0.001 . 1 . . . . . 748 VAL H . 27430 1 415 . 1 1 103 103 VAL HA H 1 4.642 0.001 . 1 . . . . . 748 VAL HA . 27430 1 416 . 1 1 103 103 VAL C C 13 173.394 0.011 . 1 . . . . . 748 VAL C . 27430 1 417 . 1 1 103 103 VAL CA C 13 60.472 0.011 . 1 . . . . . 748 VAL CA . 27430 1 418 . 1 1 103 103 VAL N N 15 120.227 0.010 . 1 . . . . . 748 VAL N . 27430 1 419 . 1 1 104 104 CYS H H 1 8.966 0.001 . 1 . . . . . 749 CYS H . 27430 1 420 . 1 1 104 104 CYS HA H 1 5.550 0.001 . 1 . . . . . 749 CYS HA . 27430 1 421 . 1 1 104 104 CYS C C 13 171.180 0.011 . 1 . . . . . 749 CYS C . 27430 1 422 . 1 1 104 104 CYS CA C 13 55.830 0.011 . 1 . . . . . 749 CYS CA . 27430 1 423 . 1 1 104 104 CYS N N 15 126.875 0.010 . 1 . . . . . 749 CYS N . 27430 1 424 . 1 1 105 105 THR H H 1 9.087 0.001 . 1 . . . . . 750 THR H . 27430 1 425 . 1 1 105 105 THR HA H 1 5.307 0.001 . 1 . . . . . 750 THR HA . 27430 1 426 . 1 1 105 105 THR C C 13 173.174 0.011 . 1 . . . . . 750 THR C . 27430 1 427 . 1 1 105 105 THR CA C 13 59.700 0.011 . 1 . . . . . 750 THR CA . 27430 1 428 . 1 1 105 105 THR N N 15 113.826 0.010 . 1 . . . . . 750 THR N . 27430 1 429 . 1 1 106 106 THR H H 1 8.159 0.001 . 1 . . . . . 751 THR H . 27430 1 430 . 1 1 106 106 THR HA H 1 4.897 0.001 . 1 . . . . . 751 THR HA . 27430 1 431 . 1 1 106 106 THR C C 13 172.899 0.011 . 1 . . . . . 751 THR C . 27430 1 432 . 1 1 106 106 THR CA C 13 60.652 0.011 . 1 . . . . . 751 THR CA . 27430 1 433 . 1 1 106 106 THR N N 15 115.279 0.010 . 1 . . . . . 751 THR N . 27430 1 434 . 1 1 107 107 ASP H H 1 8.259 0.001 . 1 . . . . . 752 ASP H . 27430 1 435 . 1 1 107 107 ASP HA H 1 4.719 0.001 . 1 . . . . . 752 ASP HA . 27430 1 436 . 1 1 107 107 ASP C C 13 176.808 0.011 . 1 . . . . . 752 ASP C . 27430 1 437 . 1 1 107 107 ASP CA C 13 53.212 0.011 . 1 . . . . . 752 ASP CA . 27430 1 438 . 1 1 107 107 ASP N N 15 124.809 0.010 . 1 . . . . . 752 ASP N . 27430 1 439 . 1 1 108 108 ARG H H 1 8.322 0.001 . 1 . . . . . 753 ARG H . 27430 1 440 . 1 1 108 108 ARG HA H 1 4.127 0.001 . 1 . . . . . 753 ARG HA . 27430 1 441 . 1 1 108 108 ARG C C 13 175.984 0.011 . 1 . . . . . 753 ARG C . 27430 1 442 . 1 1 108 108 ARG CA C 13 57.922 0.011 . 1 . . . . . 753 ARG CA . 27430 1 443 . 1 1 108 108 ARG N N 15 118.756 0.010 . 1 . . . . . 753 ARG N . 27430 1 444 . 1 1 109 109 SER H H 1 8.325 0.001 . 1 . . . . . 754 SER H . 27430 1 445 . 1 1 109 109 SER HA H 1 4.423 0.001 . 1 . . . . . 754 SER HA . 27430 1 446 . 1 1 109 109 SER C C 13 176.000 0.011 . 1 . . . . . 754 SER C . 27430 1 447 . 1 1 109 109 SER CA C 13 58.321 0.011 . 1 . . . . . 754 SER CA . 27430 1 448 . 1 1 109 109 SER N N 15 115.952 0.010 . 1 . . . . . 754 SER N . 27430 1 449 . 1 1 110 110 HIS C C 13 175.091 0.011 . 1 . . . . . 755 HIS C . 27430 1 450 . 1 1 110 110 HIS CA C 13 56.586 0.011 . 1 . . . . . 755 HIS CA . 27430 1 451 . 1 1 111 111 LEU H H 1 8.172 0.001 . 1 . . . . . 756 LEU H . 27430 1 452 . 1 1 111 111 LEU HA H 1 4.383 0.001 . 1 . . . . . 756 LEU HA . 27430 1 453 . 1 1 111 111 LEU C C 13 175.610 0.011 . 1 . . . . . 756 LEU C . 27430 1 454 . 1 1 111 111 LEU CA C 13 55.065 0.011 . 1 . . . . . 756 LEU CA . 27430 1 455 . 1 1 111 111 LEU N N 15 122.938 0.010 . 1 . . . . . 756 LEU N . 27430 1 456 . 1 1 112 112 GLU H H 1 8.322 0.001 . 1 . . . . . 757 GLU H . 27430 1 457 . 1 1 112 112 GLU HA H 1 4.728 0.001 . 1 . . . . . 757 GLU HA . 27430 1 458 . 1 1 112 112 GLU C C 13 174.620 0.011 . 1 . . . . . 757 GLU C . 27430 1 459 . 1 1 112 112 GLU CA C 13 56.142 0.011 . 1 . . . . . 757 GLU CA . 27430 1 460 . 1 1 112 112 GLU N N 15 124.288 0.010 . 1 . . . . . 757 GLU N . 27430 1 461 . 1 1 113 113 GLU H H 1 8.520 0.001 . 1 . . . . . 758 GLU H . 27430 1 462 . 1 1 113 113 GLU HA H 1 4.576 0.001 . 1 . . . . . 758 GLU HA . 27430 1 463 . 1 1 113 113 GLU C C 13 174.346 0.011 . 1 . . . . . 758 GLU C . 27430 1 464 . 1 1 113 113 GLU CA C 13 55.381 0.011 . 1 . . . . . 758 GLU CA . 27430 1 465 . 1 1 113 113 GLU N N 15 126.843 0.010 . 1 . . . . . 758 GLU N . 27430 1 466 . 1 1 114 114 CYS H H 1 8.985 0.001 . 1 . . . . . 759 CYS H . 27430 1 467 . 1 1 114 114 CYS HA H 1 5.334 0.001 . 1 . . . . . 759 CYS HA . 27430 1 468 . 1 1 114 114 CYS C C 13 173.488 0.011 . 1 . . . . . 759 CYS C . 27430 1 469 . 1 1 114 114 CYS CA C 13 56.999 0.011 . 1 . . . . . 759 CYS CA . 27430 1 470 . 1 1 114 114 CYS N N 15 124.025 0.010 . 1 . . . . . 759 CYS N . 27430 1 471 . 1 1 115 115 LEU H H 1 9.021 0.001 . 1 . . . . . 760 LEU H . 27430 1 472 . 1 1 115 115 LEU HA H 1 4.428 0.001 . 1 . . . . . 760 LEU HA . 27430 1 473 . 1 1 115 115 LEU C C 13 175.140 0.011 . 1 . . . . . 760 LEU C . 27430 1 474 . 1 1 115 115 LEU CA C 13 55.470 0.011 . 1 . . . . . 760 LEU CA . 27430 1 475 . 1 1 115 115 LEU N N 15 122.980 0.010 . 1 . . . . . 760 LEU N . 27430 1 476 . 1 1 116 116 GLY H H 1 7.469 0.001 . 1 . . . . . 761 GLY H . 27430 1 477 . 1 1 116 116 GLY HA2 H 1 4.158 0.001 . 2 . . . . . 761 GLY HA2 . 27430 1 478 . 1 1 116 116 GLY HA3 H 1 4.158 0.001 . 2 . . . . . 761 GLY HA3 . 27430 1 479 . 1 1 116 116 GLY C C 13 170.583 0.011 . 1 . . . . . 761 GLY C . 27430 1 480 . 1 1 116 116 GLY CA C 13 45.242 0.011 . 1 . . . . . 761 GLY CA . 27430 1 481 . 1 1 116 116 GLY N N 15 105.700 0.010 . 1 . . . . . 761 GLY N . 27430 1 482 . 1 1 117 117 GLY H H 1 8.523 0.001 . 1 . . . . . 762 GLY H . 27430 1 483 . 1 1 117 117 GLY HA2 H 1 4.595 0.001 . 2 . . . . . 762 GLY HA2 . 27430 1 484 . 1 1 117 117 GLY HA3 H 1 4.595 0.001 . 2 . . . . . 762 GLY HA3 . 27430 1 485 . 1 1 117 117 GLY C C 13 171.218 0.011 . 1 . . . . . 762 GLY C . 27430 1 486 . 1 1 117 117 GLY CA C 13 47.620 0.011 . 1 . . . . . 762 GLY CA . 27430 1 487 . 1 1 117 117 GLY N N 15 107.156 0.010 . 1 . . . . . 762 GLY N . 27430 1 488 . 1 1 118 118 ALA H H 1 9.000 0.001 . 1 . . . . . 763 ALA H . 27430 1 489 . 1 1 118 118 ALA HA H 1 4.807 0.001 . 1 . . . . . 763 ALA HA . 27430 1 490 . 1 1 118 118 ALA C C 13 174.367 0.011 . 1 . . . . . 763 ALA C . 27430 1 491 . 1 1 118 118 ALA CA C 13 51.319 0.011 . 1 . . . . . 763 ALA CA . 27430 1 492 . 1 1 118 118 ALA N N 15 121.347 0.010 . 1 . . . . . 763 ALA N . 27430 1 493 . 1 1 119 119 GLN H H 1 8.565 0.001 . 1 . . . . . 764 GLN H . 27430 1 494 . 1 1 119 119 GLN HA H 1 4.401 0.001 . 1 . . . . . 764 GLN HA . 27430 1 495 . 1 1 119 119 GLN C C 13 174.150 0.011 . 1 . . . . . 764 GLN C . 27430 1 496 . 1 1 119 119 GLN CA C 13 54.601 0.011 . 1 . . . . . 764 GLN CA . 27430 1 497 . 1 1 119 119 GLN N N 15 120.264 0.010 . 1 . . . . . 764 GLN N . 27430 1 498 . 1 1 120 120 ILE H H 1 9.255 0.001 . 1 . . . . . 765 ILE H . 27430 1 499 . 1 1 120 120 ILE HA H 1 4.190 0.001 . 1 . . . . . 765 ILE HA . 27430 1 500 . 1 1 120 120 ILE C C 13 174.164 0.011 . 1 . . . . . 765 ILE C . 27430 1 501 . 1 1 120 120 ILE CA C 13 60.198 0.011 . 1 . . . . . 765 ILE CA . 27430 1 502 . 1 1 120 120 ILE N N 15 126.712 0.010 . 1 . . . . . 765 ILE N . 27430 1 503 . 1 1 121 121 SER C C 13 175.252 0.011 . 1 . . . . . 766 SER C . 27430 1 504 . 1 1 121 121 SER CA C 13 58.434 0.011 . 1 . . . . . 766 SER CA . 27430 1 505 . 1 1 122 122 LEU H H 1 8.021 0.001 . 1 . . . . . 767 LEU H . 27430 1 506 . 1 1 122 122 LEU HA H 1 4.486 0.001 . 1 . . . . . 767 LEU HA . 27430 1 507 . 1 1 122 122 LEU C C 13 175.691 0.011 . 1 . . . . . 767 LEU C . 27430 1 508 . 1 1 122 122 LEU CA C 13 54.486 0.011 . 1 . . . . . 767 LEU CA . 27430 1 509 . 1 1 122 122 LEU N N 15 126.727 0.010 . 1 . . . . . 767 LEU N . 27430 1 510 . 1 1 123 123 ALA H H 1 7.697 0.001 . 1 . . . . . 768 ALA H . 27430 1 511 . 1 1 123 123 ALA C C 13 176.963 0.011 . 1 . . . . . 768 ALA C . 27430 1 512 . 1 1 123 123 ALA CA C 13 54.416 0.011 . 1 . . . . . 768 ALA CA . 27430 1 513 . 1 1 123 123 ALA N N 15 121.907 0.010 . 1 . . . . . 768 ALA N . 27430 1 514 . 1 1 124 124 GLU H H 1 7.765 0.001 . 1 . . . . . 769 GLU H . 27430 1 515 . 1 1 124 124 GLU HA H 1 4.335 0.001 . 1 . . . . . 769 GLU HA . 27430 1 516 . 1 1 124 124 GLU C C 13 175.916 0.011 . 1 . . . . . 769 GLU C . 27430 1 517 . 1 1 124 124 GLU CA C 13 56.003 0.011 . 1 . . . . . 769 GLU CA . 27430 1 518 . 1 1 124 124 GLU N N 15 113.050 0.011 . 1 . . . . . 769 GLU N . 27430 1 519 . 1 1 125 125 VAL H H 1 7.168 0.001 . 1 . . . . . 770 VAL H . 27430 1 520 . 1 1 125 125 VAL HA H 1 3.939 0.001 . 1 . . . . . 770 VAL HA . 27430 1 521 . 1 1 125 125 VAL C C 13 175.103 0.011 . 1 . . . . . 770 VAL C . 27430 1 522 . 1 1 125 125 VAL CA C 13 63.406 0.011 . 1 . . . . . 770 VAL CA . 27430 1 523 . 1 1 125 125 VAL N N 15 121.601 0.010 . 1 . . . . . 770 VAL N . 27430 1 524 . 1 1 126 126 ALA H H 1 9.057 0.001 . 1 . . . . . 771 ALA H . 27430 1 525 . 1 1 126 126 ALA HA H 1 4.494 0.001 . 1 . . . . . 771 ALA HA . 27430 1 526 . 1 1 126 126 ALA C C 13 177.597 0.011 . 1 . . . . . 771 ALA C . 27430 1 527 . 1 1 126 126 ALA CA C 13 52.458 0.011 . 1 . . . . . 771 ALA CA . 27430 1 528 . 1 1 126 126 ALA N N 15 132.768 0.010 . 1 . . . . . 771 ALA N . 27430 1 529 . 1 1 127 127 ARG H H 1 8.752 0.001 . 1 . . . . . 772 ARG H . 27430 1 530 . 1 1 127 127 ARG C C 13 175.307 0.011 . 1 . . . . . 772 ARG C . 27430 1 531 . 1 1 127 127 ARG CA C 13 58.345 0.011 . 1 . . . . . 772 ARG CA . 27430 1 532 . 1 1 127 127 ARG N N 15 125.103 0.010 . 1 . . . . . 772 ARG N . 27430 1 533 . 1 1 128 128 SER H H 1 7.645 0.001 . 1 . . . . . 773 SER H . 27430 1 534 . 1 1 128 128 SER HA H 1 4.347 0.001 . 1 . . . . . 773 SER HA . 27430 1 535 . 1 1 128 128 SER C C 13 175.035 0.011 . 1 . . . . . 773 SER C . 27430 1 536 . 1 1 128 128 SER CA C 13 58.351 0.011 . 1 . . . . . 773 SER CA . 27430 1 537 . 1 1 128 128 SER N N 15 108.677 0.010 . 1 . . . . . 773 SER N . 27430 1 538 . 1 1 129 129 GLY H H 1 7.525 0.001 . 1 . . . . . 774 GLY H . 27430 1 539 . 1 1 129 129 GLY HA2 H 1 4.393 0.001 . 2 . . . . . 774 GLY HA2 . 27430 1 540 . 1 1 129 129 GLY HA3 H 1 4.393 0.001 . 2 . . . . . 774 GLY HA3 . 27430 1 541 . 1 1 129 129 GLY C C 13 173.692 0.011 . 1 . . . . . 774 GLY C . 27430 1 542 . 1 1 129 129 GLY CA C 13 46.223 0.011 . 1 . . . . . 774 GLY CA . 27430 1 543 . 1 1 129 129 GLY N N 15 109.284 0.010 . 1 . . . . . 774 GLY N . 27430 1 544 . 1 1 130 130 GLU H H 1 8.174 0.001 . 1 . . . . . 775 GLU H . 27430 1 545 . 1 1 130 130 GLU HA H 1 4.196 0.001 . 1 . . . . . 775 GLU HA . 27430 1 546 . 1 1 130 130 GLU C C 13 175.921 0.011 . 1 . . . . . 775 GLU C . 27430 1 547 . 1 1 130 130 GLU CA C 13 57.433 0.011 . 1 . . . . . 775 GLU CA . 27430 1 548 . 1 1 130 130 GLU N N 15 120.887 0.010 . 1 . . . . . 775 GLU N . 27430 1 549 . 1 1 131 131 ARG H H 1 8.826 0.001 . 1 . . . . . 776 ARG H . 27430 1 550 . 1 1 131 131 ARG HA H 1 4.802 0.001 . 1 . . . . . 776 ARG HA . 27430 1 551 . 1 1 131 131 ARG C C 13 175.417 0.011 . 1 . . . . . 776 ARG C . 27430 1 552 . 1 1 131 131 ARG CA C 13 55.741 0.011 . 1 . . . . . 776 ARG CA . 27430 1 553 . 1 1 131 131 ARG N N 15 127.189 0.010 . 1 . . . . . 776 ARG N . 27430 1 554 . 1 1 132 132 SER H H 1 8.786 0.001 . 1 . . . . . 777 SER H . 27430 1 555 . 1 1 132 132 SER HA H 1 4.895 0.001 . 1 . . . . . 777 SER HA . 27430 1 556 . 1 1 132 132 SER C C 13 175.412 0.011 . 1 . . . . . 777 SER C . 27430 1 557 . 1 1 132 132 SER CA C 13 56.480 0.011 . 1 . . . . . 777 SER CA . 27430 1 558 . 1 1 132 132 SER N N 15 121.674 0.010 . 1 . . . . . 777 SER N . 27430 1 559 . 1 1 133 133 THR C C 13 172.600 0.000 . 1 . . . . . 778 THR C . 27430 1 560 . 1 1 133 133 THR CA C 13 62.582 0.011 . 1 . . . . . 778 THR CA . 27430 1 561 . 1 1 134 134 ARG H H 1 8.239 0.001 . 1 . . . . . 779 ARG H . 27430 1 562 . 1 1 134 134 ARG HA H 1 4.670 0.001 . 1 . . . . . 779 ARG HA . 27430 1 563 . 1 1 134 134 ARG C C 13 172.649 0.011 . 1 . . . . . 779 ARG C . 27430 1 564 . 1 1 134 134 ARG CA C 13 54.638 0.011 . 1 . . . . . 779 ARG CA . 27430 1 565 . 1 1 134 134 ARG N N 15 125.686 0.010 . 1 . . . . . 779 ARG N . 27430 1 566 . 1 1 135 135 TRP H H 1 8.142 0.001 . 1 . . . . . 780 TRP H . 27430 1 567 . 1 1 135 135 TRP HA H 1 5.270 0.001 . 1 . . . . . 780 TRP HA . 27430 1 568 . 1 1 135 135 TRP C C 13 175.528 0.011 . 1 . . . . . 780 TRP C . 27430 1 569 . 1 1 135 135 TRP CA C 13 56.169 0.011 . 1 . . . . . 780 TRP CA . 27430 1 570 . 1 1 135 135 TRP N N 15 119.376 0.010 . 1 . . . . . 780 TRP N . 27430 1 571 . 1 1 136 136 TYR H H 1 9.562 0.001 . 1 . . . . . 781 TYR H . 27430 1 572 . 1 1 136 136 TYR HA H 1 4.759 0.001 . 1 . . . . . 781 TYR HA . 27430 1 573 . 1 1 136 136 TYR C C 13 174.581 0.011 . 1 . . . . . 781 TYR C . 27430 1 574 . 1 1 136 136 TYR CA C 13 56.957 0.011 . 1 . . . . . 781 TYR CA . 27430 1 575 . 1 1 136 136 TYR N N 15 120.733 0.010 . 1 . . . . . 781 TYR N . 27430 1 576 . 1 1 137 137 ASN H H 1 8.900 0.001 . 1 . . . . . 782 ASN H . 27430 1 577 . 1 1 137 137 ASN HA H 1 5.018 0.001 . 1 . . . . . 782 ASN HA . 27430 1 578 . 1 1 137 137 ASN C C 13 174.010 0.011 . 1 . . . . . 782 ASN C . 27430 1 579 . 1 1 137 137 ASN CA C 13 53.182 0.011 . 1 . . . . . 782 ASN CA . 27430 1 580 . 1 1 137 137 ASN N N 15 122.387 0.010 . 1 . . . . . 782 ASN N . 27430 1 581 . 1 1 138 138 LEU H H 1 8.573 0.001 . 1 . . . . . 783 LEU H . 27430 1 582 . 1 1 138 138 LEU HA H 1 4.470 0.001 . 1 . . . . . 783 LEU HA . 27430 1 583 . 1 1 138 138 LEU C C 13 174.349 0.011 . 1 . . . . . 783 LEU C . 27430 1 584 . 1 1 138 138 LEU CA C 13 53.605 0.011 . 1 . . . . . 783 LEU CA . 27430 1 585 . 1 1 138 138 LEU N N 15 121.958 0.010 . 1 . . . . . 783 LEU N . 27430 1 586 . 1 1 139 139 LEU H H 1 8.445 0.001 . 1 . . . . . 784 LEU H . 27430 1 587 . 1 1 139 139 LEU HA H 1 4.783 0.001 . 1 . . . . . 784 LEU HA . 27430 1 588 . 1 1 139 139 LEU C C 13 175.686 0.011 . 1 . . . . . 784 LEU C . 27430 1 589 . 1 1 139 139 LEU CA C 13 54.151 0.011 . 1 . . . . . 784 LEU CA . 27430 1 590 . 1 1 139 139 LEU N N 15 123.809 0.010 . 1 . . . . . 784 LEU N . 27430 1 591 . 1 1 140 140 SER H H 1 8.286 0.001 . 1 . . . . . 785 SER H . 27430 1 592 . 1 1 140 140 SER HA H 1 4.500 0.001 . 1 . . . . . 785 SER HA . 27430 1 593 . 1 1 140 140 SER CA C 13 59.741 0.011 . 1 . . . . . 785 SER CA . 27430 1 594 . 1 1 140 140 SER N N 15 123.588 0.010 . 1 . . . . . 785 SER N . 27430 1 stop_ save_