data_26755 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26755 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the intrinsically disordered NHE1 distal tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-11 _Entry.Accession_date 2016-03-11 _Entry.Last_release_date 2016-03-16 _Entry.Original_release_date 2016-03-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 . _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 Ruth Hendus-Altenburger . . . . 26755 2 Birthe Kragelund . B. . . 26755 3 Stine Pedersen . F. . . 26755 4 Ann-Beth Norholm . . . . 26755 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Copenhagen' . 26755 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26755 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 26755 '15N chemical shifts' 113 26755 '1H chemical shifts' 113 26755 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-11-06 2016-03-11 update BMRB 'update entry citation' 26755 1 . . 2016-03-16 2016-03-11 original author 'original release' 26755 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26755 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi1019989 _Citation.PubMed_ID 21425832 _Citation.Full_citation . _Citation.Title ; The intracellular distal tail of the Na+/H+ exchanger NHE1 is intrinsically disordered: implications for NHE1 trafficking ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 50 _Citation.Journal_issue 17 _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 3469 _Citation.Page_last 3480 _Citation.Year 2011 _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 Ann-Beth Norholm . . . . 26755 1 2 Ruth Hendus-Altenburger . . . . 26755 1 3 Gabriel Bjerre . . . . 26755 1 4 Magnus Kjaergaard . . . . 26755 1 5 Stine Pedersen . F. . . 26755 1 6 Birthe Kragelund . B. . . 26755 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 26755 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27083547 _Citation.Full_citation . _Citation.Title ; The human Na(+)/H(+) exchanger 1 is a membrane scaffold protein for extracellular signal-regulated kinase 2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 31 _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 . _Citation.Page_last . _Citation.Year 2016 _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 Ruth Hendus-Altenburger . . . . 26755 2 2 Elena Pedraz-Cuesta . . . . 26755 2 3 Christina Olesen . W. . . 26755 2 4 Elena Papaleo . . . . 26755 2 5 Jeff Schnell . J. . . 26755 2 6 Jonathan Hopper . TS . . 26755 2 7 Carol Robinson . V. . . 26755 2 8 Stine Pedersen . F. . . 26755 2 9 Birthe Kragelund . B. . . 26755 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MAPK 26755 2 NHE1 26755 2 NMR 26755 2 'intrinsically disordered protein' 26755 2 phosphorylation 26755 2 scaffold 26755 2 'shuffle complex' 26755 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26755 _Assembly.ID 1 _Assembly.Name NHE1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 14755.3 _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 'NHE1, chain 1' 1 $NHE1 A . yes 'intrinsically disordered' no no . . . 26755 1 2 'NHE1, chain 2' 1 $NHE1 A . yes native no no . . . 26755 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NHE1 _Entity.Sf_category entity _Entity.Sf_framecode NHE1 _Entity.Entry_ID 26755 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NHE1 _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 ; MINNYLTVPAHKLDSPTMSR ARIGSDPLAYEPKEDLPVIT IDPASPQSPESVDLVNEELK GKVLGLSRDPAKVAEEDEDD DGGIMMRSKETSSPGTDDVF TPAPSDSPSSQRIQRCLSDP GPHPEPGEGEPFFPKGQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Artificial Met at the beginning, I680-Q815 are from human NHE1 (SLC9A1)' _Entity.Ambiguous_conformational_states yes _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'NHE1cdt (C-terminal distal tail, intrinsically disordered)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details IDP _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 P19634 . 'Na+/H+ Exchanger 1' . . . . . . . . . . . . . . 26755 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'membrane transporter' 26755 1 'signalling scaffold' 26755 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 0 MET . 26755 1 2 680 ILE . 26755 1 3 681 ASN . 26755 1 4 682 ASN . 26755 1 5 683 TYR . 26755 1 6 684 LEU . 26755 1 7 685 THR . 26755 1 8 686 VAL . 26755 1 9 687 PRO . 26755 1 10 688 ALA . 26755 1 11 689 HIS . 26755 1 12 690 LYS . 26755 1 13 691 LEU . 26755 1 14 692 ASP . 26755 1 15 693 SER . 26755 1 16 694 PRO . 26755 1 17 695 THR . 26755 1 18 696 MET . 26755 1 19 697 SER . 26755 1 20 698 ARG . 26755 1 21 699 ALA . 26755 1 22 700 ARG . 26755 1 23 701 ILE . 26755 1 24 702 GLY . 26755 1 25 703 SER . 26755 1 26 704 ASP . 26755 1 27 705 PRO . 26755 1 28 706 LEU . 26755 1 29 707 ALA . 26755 1 30 708 TYR . 26755 1 31 709 GLU . 26755 1 32 710 PRO . 26755 1 33 711 LYS . 26755 1 34 712 GLU . 26755 1 35 713 ASP . 26755 1 36 714 LEU . 26755 1 37 715 PRO . 26755 1 38 716 VAL . 26755 1 39 717 ILE . 26755 1 40 718 THR . 26755 1 41 719 ILE . 26755 1 42 720 ASP . 26755 1 43 721 PRO . 26755 1 44 722 ALA . 26755 1 45 723 SER . 26755 1 46 724 PRO . 26755 1 47 725 GLN . 26755 1 48 726 SER . 26755 1 49 727 PRO . 26755 1 50 728 GLU . 26755 1 51 729 SER . 26755 1 52 730 VAL . 26755 1 53 731 ASP . 26755 1 54 732 LEU . 26755 1 55 733 VAL . 26755 1 56 734 ASN . 26755 1 57 735 GLU . 26755 1 58 736 GLU . 26755 1 59 737 LEU . 26755 1 60 738 LYS . 26755 1 61 739 GLY . 26755 1 62 740 LYS . 26755 1 63 741 VAL . 26755 1 64 742 LEU . 26755 1 65 743 GLY . 26755 1 66 744 LEU . 26755 1 67 745 SER . 26755 1 68 746 ARG . 26755 1 69 747 ASP . 26755 1 70 748 PRO . 26755 1 71 749 ALA . 26755 1 72 750 LYS . 26755 1 73 751 VAL . 26755 1 74 752 ALA . 26755 1 75 753 GLU . 26755 1 76 754 GLU . 26755 1 77 755 ASP . 26755 1 78 756 GLU . 26755 1 79 757 ASP . 26755 1 80 758 ASP . 26755 1 81 759 ASP . 26755 1 82 760 GLY . 26755 1 83 761 GLY . 26755 1 84 762 ILE . 26755 1 85 763 MET . 26755 1 86 764 MET . 26755 1 87 765 ARG . 26755 1 88 766 SER . 26755 1 89 767 LYS . 26755 1 90 768 GLU . 26755 1 91 769 THR . 26755 1 92 770 SER . 26755 1 93 771 SER . 26755 1 94 772 PRO . 26755 1 95 773 GLY . 26755 1 96 774 THR . 26755 1 97 775 ASP . 26755 1 98 776 ASP . 26755 1 99 777 VAL . 26755 1 100 778 PHE . 26755 1 101 779 THR . 26755 1 102 780 PRO . 26755 1 103 781 ALA . 26755 1 104 782 PRO . 26755 1 105 783 SER . 26755 1 106 784 ASP . 26755 1 107 785 SER . 26755 1 108 786 PRO . 26755 1 109 787 SER . 26755 1 110 788 SER . 26755 1 111 789 GLN . 26755 1 112 790 ARG . 26755 1 113 791 ILE . 26755 1 114 792 GLN . 26755 1 115 793 ARG . 26755 1 116 794 CYS . 26755 1 117 795 LEU . 26755 1 118 796 SER . 26755 1 119 797 ASP . 26755 1 120 798 PRO . 26755 1 121 799 GLY . 26755 1 122 800 PRO . 26755 1 123 801 HIS . 26755 1 124 802 PRO . 26755 1 125 803 GLU . 26755 1 126 804 PRO . 26755 1 127 805 GLY . 26755 1 128 806 GLU . 26755 1 129 807 GLY . 26755 1 130 808 GLU . 26755 1 131 809 PRO . 26755 1 132 810 PHE . 26755 1 133 811 PHE . 26755 1 134 812 PRO . 26755 1 135 813 LYS . 26755 1 136 814 GLY . 26755 1 137 815 GLN . 26755 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 26755 1 . ILE 2 2 26755 1 . ASN 3 3 26755 1 . ASN 4 4 26755 1 . TYR 5 5 26755 1 . LEU 6 6 26755 1 . THR 7 7 26755 1 . VAL 8 8 26755 1 . PRO 9 9 26755 1 . ALA 10 10 26755 1 . HIS 11 11 26755 1 . LYS 12 12 26755 1 . LEU 13 13 26755 1 . ASP 14 14 26755 1 . SER 15 15 26755 1 . PRO 16 16 26755 1 . THR 17 17 26755 1 . MET 18 18 26755 1 . SER 19 19 26755 1 . ARG 20 20 26755 1 . ALA 21 21 26755 1 . ARG 22 22 26755 1 . ILE 23 23 26755 1 . GLY 24 24 26755 1 . SER 25 25 26755 1 . ASP 26 26 26755 1 . PRO 27 27 26755 1 . LEU 28 28 26755 1 . ALA 29 29 26755 1 . TYR 30 30 26755 1 . GLU 31 31 26755 1 . PRO 32 32 26755 1 . LYS 33 33 26755 1 . GLU 34 34 26755 1 . ASP 35 35 26755 1 . LEU 36 36 26755 1 . PRO 37 37 26755 1 . VAL 38 38 26755 1 . ILE 39 39 26755 1 . THR 40 40 26755 1 . ILE 41 41 26755 1 . ASP 42 42 26755 1 . PRO 43 43 26755 1 . ALA 44 44 26755 1 . SER 45 45 26755 1 . PRO 46 46 26755 1 . GLN 47 47 26755 1 . SER 48 48 26755 1 . PRO 49 49 26755 1 . GLU 50 50 26755 1 . SER 51 51 26755 1 . VAL 52 52 26755 1 . ASP 53 53 26755 1 . LEU 54 54 26755 1 . VAL 55 55 26755 1 . ASN 56 56 26755 1 . GLU 57 57 26755 1 . GLU 58 58 26755 1 . LEU 59 59 26755 1 . LYS 60 60 26755 1 . GLY 61 61 26755 1 . LYS 62 62 26755 1 . VAL 63 63 26755 1 . LEU 64 64 26755 1 . GLY 65 65 26755 1 . LEU 66 66 26755 1 . SER 67 67 26755 1 . ARG 68 68 26755 1 . ASP 69 69 26755 1 . PRO 70 70 26755 1 . ALA 71 71 26755 1 . LYS 72 72 26755 1 . VAL 73 73 26755 1 . ALA 74 74 26755 1 . GLU 75 75 26755 1 . GLU 76 76 26755 1 . ASP 77 77 26755 1 . GLU 78 78 26755 1 . ASP 79 79 26755 1 . ASP 80 80 26755 1 . ASP 81 81 26755 1 . GLY 82 82 26755 1 . GLY 83 83 26755 1 . ILE 84 84 26755 1 . MET 85 85 26755 1 . MET 86 86 26755 1 . ARG 87 87 26755 1 . SER 88 88 26755 1 . LYS 89 89 26755 1 . GLU 90 90 26755 1 . THR 91 91 26755 1 . SER 92 92 26755 1 . SER 93 93 26755 1 . PRO 94 94 26755 1 . GLY 95 95 26755 1 . THR 96 96 26755 1 . ASP 97 97 26755 1 . ASP 98 98 26755 1 . VAL 99 99 26755 1 . PHE 100 100 26755 1 . THR 101 101 26755 1 . PRO 102 102 26755 1 . ALA 103 103 26755 1 . PRO 104 104 26755 1 . SER 105 105 26755 1 . ASP 106 106 26755 1 . SER 107 107 26755 1 . PRO 108 108 26755 1 . SER 109 109 26755 1 . SER 110 110 26755 1 . GLN 111 111 26755 1 . ARG 112 112 26755 1 . ILE 113 113 26755 1 . GLN 114 114 26755 1 . ARG 115 115 26755 1 . CYS 116 116 26755 1 . LEU 117 117 26755 1 . SER 118 118 26755 1 . ASP 119 119 26755 1 . PRO 120 120 26755 1 . GLY 121 121 26755 1 . PRO 122 122 26755 1 . HIS 123 123 26755 1 . PRO 124 124 26755 1 . GLU 125 125 26755 1 . PRO 126 126 26755 1 . GLY 127 127 26755 1 . GLU 128 128 26755 1 . GLY 129 129 26755 1 . GLU 130 130 26755 1 . PRO 131 131 26755 1 . PHE 132 132 26755 1 . PHE 133 133 26755 1 . PRO 134 134 26755 1 . LYS 135 135 26755 1 . GLY 136 136 26755 1 . GLN 137 137 26755 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 26755 _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 $NHE1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26755 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 26755 _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 $NHE1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' 'codon plus' . . . . pET11a . . . 26755 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NHE1cdt_WT _Sample.Sf_category sample _Sample.Sf_framecode NHE1cdt_WT _Sample.Entry_ID 26755 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PBS buffer pH 7.2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NHE1 '[U-13C; U-15N]' . . 1 $NHE1 . . . . . mM . . . . 26755 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26755 1 3 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 26755 1 4 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 26755 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26755 1 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 26755 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 26755 1 8 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 26755 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 26755 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 26755 1 pH 7.2 . pH 26755 1 pressure 1 . atm 26755 1 temperature 273 . K 26755 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26755 _Software.ID 1 _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' . . 26755 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 26755 1 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 26755 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26755 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 800 . . . 26755 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 26755 _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 $NHE1cdt_WT isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26755 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NHE1cdt_WT isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26755 1 3 '3D HNCO' no . . . . . . . . . . 1 $NHE1cdt_WT isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26755 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NHE1cdt_WT isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26755 1 5 '3D HCACO' no . . . . . . . . . . 1 $NHE1cdt_WT isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26755 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 26755 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 26755 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26755 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26755 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 26755 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 26755 1 2 '3D CBCA(CO)NH' . . . 26755 1 3 '3D HNCO' . . . 26755 1 4 '3D HNCACB' . . . 26755 1 5 '3D HCACO' . . . 26755 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 2 2 ILE C C 13 175.525 0.013 . . . . . . . 680 I C . 26755 1 2 . 1 1 2 2 ILE CA C 13 61.183 0.021 . . . . . . . 680 I CA . 26755 1 3 . 1 1 2 2 ILE CB C 13 38.759 0.042 . . . . . . . 680 I CB . 26755 1 4 . 1 1 3 3 ASN H H 1 8.663 0.002 . . . . . . . 681 N HN . 26755 1 5 . 1 1 3 3 ASN C C 13 174.667 0.005 . . . . . . . 681 N C . 26755 1 6 . 1 1 3 3 ASN CA C 13 52.929 0.156 . . . . . . . 681 N CA . 26755 1 7 . 1 1 3 3 ASN CB C 13 38.945 0.025 . . . . . . . 681 N CB . 26755 1 8 . 1 1 3 3 ASN N N 15 123.335 0.030 . . . . . . . 681 N N . 26755 1 9 . 1 1 4 4 ASN H H 1 8.506 0.003 . . . . . . . 682 N HN . 26755 1 10 . 1 1 4 4 ASN C C 13 174.956 0.011 . . . . . . . 682 N C . 26755 1 11 . 1 1 4 4 ASN CA C 13 53.161 0.021 . . . . . . . 682 N CA . 26755 1 12 . 1 1 4 4 ASN CB C 13 38.787 0.057 . . . . . . . 682 N CB . 26755 1 13 . 1 1 4 4 ASN N N 15 120.184 0.085 . . . . . . . 682 N N . 26755 1 14 . 1 1 5 5 TYR H H 1 8.208 0.001 . . . . . . . 683 Y HN . 26755 1 15 . 1 1 5 5 TYR C C 13 175.695 0.016 . . . . . . . 683 Y C . 26755 1 16 . 1 1 5 5 TYR CA C 13 58.048 0.015 . . . . . . . 683 Y CA . 26755 1 17 . 1 1 5 5 TYR CB C 13 38.273 0.055 . . . . . . . 683 Y CB . 26755 1 18 . 1 1 5 5 TYR N N 15 120.126 0.020 . . . . . . . 683 Y N . 26755 1 19 . 1 1 6 6 LEU H H 1 8.101 0.001 . . . . . . . 684 L HN . 26755 1 20 . 1 1 6 6 LEU C C 13 177.302 0.013 . . . . . . . 684 L C . 26755 1 21 . 1 1 6 6 LEU CA C 13 55.114 0.015 . . . . . . . 684 L CA . 26755 1 22 . 1 1 6 6 LEU CB C 13 42.389 0.058 . . . . . . . 684 L CB . 26755 1 23 . 1 1 6 6 LEU N N 15 122.873 0.030 . . . . . . . 684 L N . 26755 1 24 . 1 1 7 7 THR H H 1 8.144 0.003 . . . . . . . 685 T HN . 26755 1 25 . 1 1 7 7 THR C C 13 174.227 0.022 . . . . . . . 685 T C . 26755 1 26 . 1 1 7 7 THR CA C 13 61.858 0.013 . . . . . . . 685 T CA . 26755 1 27 . 1 1 7 7 THR CB C 13 69.763 0.014 . . . . . . . 685 T CB . 26755 1 28 . 1 1 7 7 THR N N 15 115.838 0.248 . . . . . . . 685 T N . 26755 1 29 . 1 1 8 8 VAL H H 1 8.258 0.002 . . . . . . . 686 V HN . 26755 1 30 . 1 1 8 8 VAL C C 13 174.175 0.000 . . . . . . . 686 V C . 26755 1 31 . 1 1 8 8 VAL CA C 13 59.813 0.000 . . . . . . . 686 V CA . 26755 1 32 . 1 1 8 8 VAL CB C 13 32.738 0.000 . . . . . . . 686 V CB . 26755 1 33 . 1 1 8 8 VAL N N 15 124.986 0.202 . . . . . . . 686 V N . 26755 1 34 . 1 1 9 9 PRO C C 13 176.658 0.002 . . . . . . . 687 P C . 26755 1 35 . 1 1 9 9 PRO CA C 13 63.058 0.007 . . . . . . . 687 P CA . 26755 1 36 . 1 1 9 9 PRO CB C 13 32.185 0.036 . . . . . . . 687 P CB . 26755 1 37 . 1 1 10 10 ALA H H 1 8.505 0.001 . . . . . . . 688 A HN . 26755 1 38 . 1 1 10 10 ALA C C 13 177.746 0.014 . . . . . . . 688 A C . 26755 1 39 . 1 1 10 10 ALA CA C 13 52.693 0.016 . . . . . . . 688 A CA . 26755 1 40 . 1 1 10 10 ALA CB C 13 19.135 0.007 . . . . . . . 688 A CB . 26755 1 41 . 1 1 10 10 ALA N N 15 124.371 0.042 . . . . . . . 688 A N . 26755 1 42 . 1 1 11 11 HIS H H 1 8.278 0.010 . . . . . . . 689 H HN . 26755 1 43 . 1 1 11 11 HIS C C 13 175.205 0.019 . . . . . . . 689 H C . 26755 1 44 . 1 1 11 11 HIS CA C 13 55.964 0.010 . . . . . . . 689 H CA . 26755 1 45 . 1 1 11 11 HIS CB C 13 30.694 0.055 . . . . . . . 689 H CB . 26755 1 46 . 1 1 11 11 HIS N N 15 118.489 0.173 . . . . . . . 689 H N . 26755 1 47 . 1 1 12 12 LYS H H 1 8.316 0.006 . . . . . . . 690 K HN . 26755 1 48 . 1 1 12 12 LYS C C 13 176.364 0.011 . . . . . . . 690 K C . 26755 1 49 . 1 1 12 12 LYS CA C 13 56.221 0.027 . . . . . . . 690 K CA . 26755 1 50 . 1 1 12 12 LYS CB C 13 32.987 0.013 . . . . . . . 690 K CB . 26755 1 51 . 1 1 12 12 LYS N N 15 123.358 0.033 . . . . . . . 690 K N . 26755 1 52 . 1 1 13 13 LEU H H 1 8.456 0.004 . . . . . . . 691 L HN . 26755 1 53 . 1 1 13 13 LEU C C 13 177.093 0.019 . . . . . . . 691 L C . 26755 1 54 . 1 1 13 13 LEU CA C 13 55.050 0.034 . . . . . . . 691 L CA . 26755 1 55 . 1 1 13 13 LEU CB C 13 42.309 0.044 . . . . . . . 691 L CB . 26755 1 56 . 1 1 13 13 LEU N N 15 123.894 0.030 . . . . . . . 691 L N . 26755 1 57 . 1 1 14 14 ASP H H 1 8.423 0.001 . . . . . . . 692 D HN . 26755 1 58 . 1 1 14 14 ASP C C 13 175.917 0.020 . . . . . . . 692 D C . 26755 1 59 . 1 1 14 14 ASP CA C 13 54.149 0.039 . . . . . . . 692 D CA . 26755 1 60 . 1 1 14 14 ASP CB C 13 41.077 0.014 . . . . . . . 692 D CB . 26755 1 61 . 1 1 14 14 ASP N N 15 121.379 0.044 . . . . . . . 692 D N . 26755 1 62 . 1 1 15 15 SER H H 1 8.273 0.002 . . . . . . . 693 S HN . 26755 1 63 . 1 1 15 15 SER C C 13 173.076 0.000 . . . . . . . 693 S C . 26755 1 64 . 1 1 15 15 SER CA C 13 56.439 0.000 . . . . . . . 693 S CA . 26755 1 65 . 1 1 15 15 SER CB C 13 63.281 0.000 . . . . . . . 693 S CB . 26755 1 66 . 1 1 15 15 SER N N 15 117.143 0.025 . . . . . . . 693 S N . 26755 1 67 . 1 1 16 16 PRO C C 13 177.412 0.010 . . . . . . . 694 P C . 26755 1 68 . 1 1 16 16 PRO CA C 13 63.596 0.008 . . . . . . . 694 P CA . 26755 1 69 . 1 1 16 16 PRO CB C 13 32.205 0.000 . . . . . . . 694 P CB . 26755 1 70 . 1 1 17 17 THR H H 1 8.273 0.001 . . . . . . . 695 T HN . 26755 1 71 . 1 1 17 17 THR C C 13 174.928 0.005 . . . . . . . 695 T C . 26755 1 72 . 1 1 17 17 THR CA C 13 62.762 0.446 . . . . . . . 695 T CA . 26755 1 73 . 1 1 17 17 THR CB C 13 69.468 0.144 . . . . . . . 695 T CB . 26755 1 74 . 1 1 17 17 THR N N 15 114.057 0.024 . . . . . . . 695 T N . 26755 1 75 . 1 1 18 18 MET H H 1 8.353 0.025 . . . . . . . 696 M HN . 26755 1 76 . 1 1 18 18 MET C C 13 176.364 0.007 . . . . . . . 696 M C . 26755 1 77 . 1 1 18 18 MET CA C 13 55.818 0.368 . . . . . . . 696 M CA . 26755 1 78 . 1 1 18 18 MET CB C 13 32.785 0.024 . . . . . . . 696 M CB . 26755 1 79 . 1 1 18 18 MET N N 15 122.933 0.114 . . . . . . . 696 M N . 26755 1 80 . 1 1 19 19 SER H H 1 8.429 0.011 . . . . . . . 697 S HN . 26755 1 81 . 1 1 19 19 SER C C 13 174.788 0.123 . . . . . . . 697 S C . 26755 1 82 . 1 1 19 19 SER CA C 13 58.389 0.201 . . . . . . . 697 S CA . 26755 1 83 . 1 1 19 19 SER CB C 13 63.352 0.156 . . . . . . . 697 S CB . 26755 1 84 . 1 1 19 19 SER N N 15 117.492 0.139 . . . . . . . 697 S N . 26755 1 85 . 1 1 20 20 ARG H H 1 8.447 0.005 . . . . . . . 698 R HN . 26755 1 86 . 1 1 20 20 ARG C C 13 176.098 0.009 . . . . . . . 698 R C . 26755 1 87 . 1 1 20 20 ARG CA C 13 56.034 0.029 . . . . . . . 698 R CA . 26755 1 88 . 1 1 20 20 ARG CB C 13 30.772 0.079 . . . . . . . 698 R CB . 26755 1 89 . 1 1 20 20 ARG N N 15 123.414 0.089 . . . . . . . 698 R N . 26755 1 90 . 1 1 21 21 ALA H H 1 8.331 0.002 . . . . . . . 699 A HN . 26755 1 91 . 1 1 21 21 ALA C C 13 177.670 0.018 . . . . . . . 699 A C . 26755 1 92 . 1 1 21 21 ALA CA C 13 52.585 0.036 . . . . . . . 699 A CA . 26755 1 93 . 1 1 21 21 ALA CB C 13 19.154 0.017 . . . . . . . 699 A CB . 26755 1 94 . 1 1 21 21 ALA N N 15 125.024 0.021 . . . . . . . 699 A N . 26755 1 95 . 1 1 22 22 ARG H H 1 8.393 0.001 . . . . . . . 700 R HN . 26755 1 96 . 1 1 22 22 ARG C C 13 176.425 0.012 . . . . . . . 700 R C . 26755 1 97 . 1 1 22 22 ARG CA C 13 55.953 0.061 . . . . . . . 700 R CA . 26755 1 98 . 1 1 22 22 ARG CB C 13 30.773 0.018 . . . . . . . 700 R CB . 26755 1 99 . 1 1 22 22 ARG N N 15 120.898 0.032 . . . . . . . 700 R N . 26755 1 100 . 1 1 23 23 ILE H H 1 8.379 0.002 . . . . . . . 701 I HN . 26755 1 101 . 1 1 23 23 ILE C C 13 176.949 0.003 . . . . . . . 701 I C . 26755 1 102 . 1 1 23 23 ILE CA C 13 61.388 0.009 . . . . . . . 701 I CA . 26755 1 103 . 1 1 23 23 ILE CB C 13 38.623 0.033 . . . . . . . 701 I CB . 26755 1 104 . 1 1 23 23 ILE N N 15 123.229 0.032 . . . . . . . 701 I N . 26755 1 105 . 1 1 24 24 GLY H H 1 8.654 0.002 . . . . . . . 702 G HN . 26755 1 106 . 1 1 24 24 GLY C C 13 174.029 0.016 . . . . . . . 702 G C . 26755 1 107 . 1 1 24 24 GLY CA C 13 45.218 0.006 . . . . . . . 702 G CA . 26755 1 108 . 1 1 24 24 GLY N N 15 113.599 0.026 . . . . . . . 702 G N . 26755 1 109 . 1 1 25 25 SER H H 1 8.236 0.002 . . . . . . . 703 S HN . 26755 1 110 . 1 1 25 25 SER C C 13 174.014 0.000 . . . . . . . 703 S C . 26755 1 111 . 1 1 25 25 SER CA C 13 58.063 0.010 . . . . . . . 703 S CA . 26755 1 112 . 1 1 25 25 SER CB C 13 64.040 0.056 . . . . . . . 703 S CB . 26755 1 113 . 1 1 25 25 SER N N 15 115.279 0.213 . . . . . . . 703 S N . 26755 1 114 . 1 1 26 26 ASP H H 1 8.461 0.002 . . . . . . . 704 D HN . 26755 1 115 . 1 1 26 26 ASP CA C 13 52.327 0.000 . . . . . . . 704 D CA . 26755 1 116 . 1 1 26 26 ASP CB C 13 41.070 0.000 . . . . . . . 704 D CB . 26755 1 117 . 1 1 26 26 ASP N N 15 123.659 0.026 . . . . . . . 704 D N . 26755 1 118 . 1 1 27 27 PRO C C 13 177.281 0.007 . . . . . . . 705 P C . 26755 1 119 . 1 1 27 27 PRO CA C 13 63.558 0.032 . . . . . . . 705 P CA . 26755 1 120 . 1 1 27 27 PRO CB C 13 32.214 0.054 . . . . . . . 705 P CB . 26755 1 121 . 1 1 28 28 LEU H H 1 8.399 0.001 . . . . . . . 706 L HN . 26755 1 122 . 1 1 28 28 LEU C C 13 177.347 0.000 . . . . . . . 706 L C . 26755 1 123 . 1 1 28 28 LEU CA C 13 54.906 0.004 . . . . . . . 706 L CA . 26755 1 124 . 1 1 28 28 LEU CB C 13 41.671 0.049 . . . . . . . 706 L CB . 26755 1 125 . 1 1 28 28 LEU N N 15 120.664 0.013 . . . . . . . 706 L N . 26755 1 126 . 1 1 29 29 ALA H H 1 7.974 0.001 . . . . . . . 707 A HN . 26755 1 127 . 1 1 29 29 ALA C C 13 177.042 0.013 . . . . . . . 707 A C . 26755 1 128 . 1 1 29 29 ALA CA C 13 52.347 0.008 . . . . . . . 707 A CA . 26755 1 129 . 1 1 29 29 ALA CB C 13 19.283 0.024 . . . . . . . 707 A CB . 26755 1 130 . 1 1 29 29 ALA N N 15 123.931 0.028 . . . . . . . 707 A N . 26755 1 131 . 1 1 30 30 TYR H H 1 8.099 0.001 . . . . . . . 708 Y HN . 26755 1 132 . 1 1 30 30 TYR C C 13 175.143 0.003 . . . . . . . 708 Y C . 26755 1 133 . 1 1 30 30 TYR CA C 13 57.505 0.029 . . . . . . . 708 Y CA . 26755 1 134 . 1 1 30 30 TYR CB C 13 38.953 0.008 . . . . . . . 708 Y CB . 26755 1 135 . 1 1 30 30 TYR N N 15 119.689 0.021 . . . . . . . 708 Y N . 26755 1 136 . 1 1 31 31 GLU H H 1 8.217 0.001 . . . . . . . 709 E HN . 26755 1 137 . 1 1 31 31 GLU C C 13 173.592 0.000 . . . . . . . 709 E C . 26755 1 138 . 1 1 31 31 GLU CA C 13 53.548 0.000 . . . . . . . 709 E CA . 26755 1 139 . 1 1 31 31 GLU CB C 13 30.266 0.000 . . . . . . . 709 E CB . 26755 1 140 . 1 1 31 31 GLU N N 15 125.523 0.027 . . . . . . . 709 E N . 26755 1 141 . 1 1 34 34 GLU C C 13 175.925 0.030 . . . . . . . 712 E C . 26755 1 142 . 1 1 34 34 GLU CA C 13 56.117 0.000 . . . . . . . 712 E CA . 26755 1 143 . 1 1 34 34 GLU CB C 13 30.618 0.000 . . . . . . . 712 E CB . 26755 1 144 . 1 1 35 35 ASP H H 1 8.551 0.002 . . . . . . . 713 D HN . 26755 1 145 . 1 1 35 35 ASP C C 13 175.739 0.014 . . . . . . . 713 D C . 26755 1 146 . 1 1 35 35 ASP CA C 13 54.091 0.000 . . . . . . . 713 D CA . 26755 1 147 . 1 1 35 35 ASP CB C 13 41.054 0.000 . . . . . . . 713 D CB . 26755 1 148 . 1 1 35 35 ASP N N 15 122.609 0.273 . . . . . . . 713 D N . 26755 1 149 . 1 1 36 36 LEU H H 1 8.264 0.003 . . . . . . . 714 L HN . 26755 1 150 . 1 1 36 36 LEU N N 15 124.119 0.029 . . . . . . . 714 L N . 26755 1 151 . 1 1 37 37 PRO C C 13 176.667 0.003 . . . . . . . 715 P C . 26755 1 152 . 1 1 37 37 PRO CA C 13 62.872 0.028 . . . . . . . 715 P CA . 26755 1 153 . 1 1 37 37 PRO CB C 13 32.034 0.037 . . . . . . . 715 P CB . 26755 1 154 . 1 1 38 38 VAL H H 1 8.424 0.001 . . . . . . . 716 V HN . 26755 1 155 . 1 1 38 38 VAL C C 13 176.318 0.006 . . . . . . . 716 V C . 26755 1 156 . 1 1 38 38 VAL CA C 13 62.340 0.031 . . . . . . . 716 V CA . 26755 1 157 . 1 1 38 38 VAL CB C 13 32.716 0.045 . . . . . . . 716 V CB . 26755 1 158 . 1 1 38 38 VAL N N 15 121.917 0.191 . . . . . . . 716 V N . 26755 1 159 . 1 1 39 39 ILE H H 1 8.469 0.002 . . . . . . . 717 I HN . 26755 1 160 . 1 1 39 39 ILE C C 13 176.270 0.002 . . . . . . . 717 I C . 26755 1 161 . 1 1 39 39 ILE CA C 13 60.575 0.025 . . . . . . . 717 I CA . 26755 1 162 . 1 1 39 39 ILE CB C 13 38.654 0.025 . . . . . . . 717 I CB . 26755 1 163 . 1 1 39 39 ILE N N 15 126.802 0.019 . . . . . . . 717 I N . 26755 1 164 . 1 1 40 40 THR H H 1 8.496 0.002 . . . . . . . 718 T HN . 26755 1 165 . 1 1 40 40 THR C C 13 174.027 0.011 . . . . . . . 718 T C . 26755 1 166 . 1 1 40 40 THR CA C 13 61.719 0.015 . . . . . . . 718 T CA . 26755 1 167 . 1 1 40 40 THR CB C 13 69.860 0.042 . . . . . . . 718 T CB . 26755 1 168 . 1 1 40 40 THR N N 15 121.339 0.014 . . . . . . . 718 T N . 26755 1 169 . 1 1 41 41 ILE H H 1 8.413 0.002 . . . . . . . 719 I HN . 26755 1 170 . 1 1 41 41 ILE C C 13 175.567 0.009 . . . . . . . 719 I C . 26755 1 171 . 1 1 41 41 ILE CA C 13 60.497 0.042 . . . . . . . 719 I CA . 26755 1 172 . 1 1 41 41 ILE CB C 13 38.864 0.023 . . . . . . . 719 I CB . 26755 1 173 . 1 1 41 41 ILE N N 15 124.997 0.031 . . . . . . . 719 I N . 26755 1 174 . 1 1 42 42 ASP H H 1 8.665 0.008 . . . . . . . 720 D HN . 26755 1 175 . 1 1 42 42 ASP C C 13 174.925 0.000 . . . . . . . 720 D C . 26755 1 176 . 1 1 42 42 ASP CA C 13 52.041 0.000 . . . . . . . 720 D CA . 26755 1 177 . 1 1 42 42 ASP CB C 13 41.080 0.000 . . . . . . . 720 D CB . 26755 1 178 . 1 1 42 42 ASP N N 15 127.508 0.033 . . . . . . . 720 D N . 26755 1 179 . 1 1 43 43 PRO C C 13 176.713 0.004 . . . . . . . 721 P C . 26755 1 180 . 1 1 43 43 PRO CA C 13 63.433 0.003 . . . . . . . 721 P CA . 26755 1 181 . 1 1 43 43 PRO CB C 13 31.972 0.009 . . . . . . . 721 P CB . 26755 1 182 . 1 1 44 44 ALA H H 1 8.450 0.003 . . . . . . . 722 A HN . 26755 1 183 . 1 1 44 44 ALA C C 13 177.829 0.027 . . . . . . . 722 A C . 26755 1 184 . 1 1 44 44 ALA CA C 13 52.255 0.031 . . . . . . . 722 A CA . 26755 1 185 . 1 1 44 44 ALA CB C 13 19.180 0.090 . . . . . . . 722 A CB . 26755 1 186 . 1 1 44 44 ALA N N 15 122.934 0.016 . . . . . . . 722 A N . 26755 1 187 . 1 1 45 45 SER H H 1 8.179 0.001 . . . . . . . 723 S HN . 26755 1 188 . 1 1 45 45 SER C C 13 172.715 0.000 . . . . . . . 723 S C . 26755 1 189 . 1 1 45 45 SER CA C 13 56.473 0.000 . . . . . . . 723 S CA . 26755 1 190 . 1 1 45 45 SER CB C 13 63.148 0.000 . . . . . . . 723 S CB . 26755 1 191 . 1 1 45 45 SER N N 15 116.590 0.030 . . . . . . . 723 S N . 26755 1 192 . 1 1 46 46 PRO C C 13 176.982 0.000 . . . . . . . 724 P C . 26755 1 193 . 1 1 46 46 PRO CA C 13 63.290 0.004 . . . . . . . 724 P CA . 26755 1 194 . 1 1 46 46 PRO CB C 13 32.068 0.040 . . . . . . . 724 P CB . 26755 1 195 . 1 1 47 47 GLN H H 1 8.594 0.001 . . . . . . . 725 Q HN . 26755 1 196 . 1 1 47 47 GLN C C 13 175.923 0.019 . . . . . . . 725 Q C . 26755 1 197 . 1 1 47 47 GLN CA C 13 55.535 0.016 . . . . . . . 725 Q CA . 26755 1 198 . 1 1 47 47 GLN CB C 13 29.714 0.038 . . . . . . . 725 Q CB . 26755 1 199 . 1 1 47 47 GLN N N 15 120.978 0.025 . . . . . . . 725 Q N . 26755 1 200 . 1 1 48 48 SER H H 1 8.572 0.001 . . . . . . . 726 S HN . 26755 1 201 . 1 1 48 48 SER C C 13 172.922 0.000 . . . . . . . 726 S C . 26755 1 202 . 1 1 48 48 SER CA C 13 56.490 0.000 . . . . . . . 726 S CA . 26755 1 203 . 1 1 48 48 SER CB C 13 63.206 0.000 . . . . . . . 726 S CB . 26755 1 204 . 1 1 48 48 SER N N 15 119.299 0.025 . . . . . . . 726 S N . 26755 1 205 . 1 1 49 49 PRO C C 13 177.159 0.012 . . . . . . . 727 P C . 26755 1 206 . 1 1 49 49 PRO CA C 13 63.513 0.002 . . . . . . . 727 P CA . 26755 1 207 . 1 1 49 49 PRO CB C 13 32.060 0.001 . . . . . . . 727 P CB . 26755 1 208 . 1 1 50 50 GLU H H 1 8.645 0.001 . . . . . . . 728 E HN . 26755 1 209 . 1 1 50 50 GLU C C 13 176.810 0.006 . . . . . . . 728 E C . 26755 1 210 . 1 1 50 50 GLU CA C 13 56.921 0.071 . . . . . . . 728 E CA . 26755 1 211 . 1 1 50 50 GLU CB C 13 29.982 0.037 . . . . . . . 728 E CB . 26755 1 212 . 1 1 50 50 GLU N N 15 120.463 0.020 . . . . . . . 728 E N . 26755 1 213 . 1 1 51 51 SER H H 1 8.384 0.001 . . . . . . . 729 S HN . 26755 1 214 . 1 1 51 51 SER C C 13 174.753 0.005 . . . . . . . 729 S C . 26755 1 215 . 1 1 51 51 SER CA C 13 58.455 0.029 . . . . . . . 729 S CA . 26755 1 216 . 1 1 51 51 SER CB C 13 63.665 0.048 . . . . . . . 729 S CB . 26755 1 217 . 1 1 51 51 SER N N 15 117.237 0.024 . . . . . . . 729 S N . 26755 1 218 . 1 1 52 52 VAL H H 1 8.207 0.001 . . . . . . . 730 V HN . 26755 1 219 . 1 1 52 52 VAL C C 13 175.819 0.089 . . . . . . . 730 V C . 26755 1 220 . 1 1 52 52 VAL CA C 13 62.420 0.002 . . . . . . . 730 V CA . 26755 1 221 . 1 1 52 52 VAL CB C 13 32.796 0.022 . . . . . . . 730 V CB . 26755 1 222 . 1 1 52 52 VAL N N 15 122.019 0.017 . . . . . . . 730 V N . 26755 1 223 . 1 1 53 53 ASP H H 1 8.422 0.005 . . . . . . . 731 D HN . 26755 1 224 . 1 1 53 53 ASP C C 13 176.326 0.003 . . . . . . . 731 D C . 26755 1 225 . 1 1 53 53 ASP CA C 13 54.490 0.021 . . . . . . . 731 D CA . 26755 1 226 . 1 1 53 53 ASP CB C 13 41.044 0.025 . . . . . . . 731 D CB . 26755 1 227 . 1 1 53 53 ASP N N 15 123.668 0.140 . . . . . . . 731 D N . 26755 1 228 . 1 1 54 54 LEU H H 1 8.250 0.001 . . . . . . . 732 L HN . 26755 1 229 . 1 1 54 54 LEU C C 13 177.837 0.009 . . . . . . . 732 L C . 26755 1 230 . 1 1 54 54 LEU CA C 13 55.610 0.008 . . . . . . . 732 L CA . 26755 1 231 . 1 1 54 54 LEU CB C 13 42.262 0.104 . . . . . . . 732 L CB . 26755 1 232 . 1 1 54 54 LEU N N 15 123.088 0.025 . . . . . . . 732 L N . 26755 1 233 . 1 1 55 55 VAL H H 1 8.186 0.001 . . . . . . . 733 V HN . 26755 1 234 . 1 1 55 55 VAL C C 13 176.380 0.005 . . . . . . . 733 V C . 26755 1 235 . 1 1 55 55 VAL CA C 13 63.064 0.024 . . . . . . . 733 V CA . 26755 1 236 . 1 1 55 55 VAL CB C 13 32.490 0.037 . . . . . . . 733 V CB . 26755 1 237 . 1 1 55 55 VAL N N 15 121.416 0.022 . . . . . . . 733 V N . 26755 1 238 . 1 1 56 56 ASN H H 1 8.462 0.003 . . . . . . . 734 N HN . 26755 1 239 . 1 1 56 56 ASN C C 13 175.986 0.011 . . . . . . . 734 N C . 26755 1 240 . 1 1 56 56 ASN CA C 13 53.667 0.019 . . . . . . . 734 N CA . 26755 1 241 . 1 1 56 56 ASN CB C 13 38.757 0.030 . . . . . . . 734 N CB . 26755 1 242 . 1 1 56 56 ASN N N 15 122.118 0.194 . . . . . . . 734 N N . 26755 1 243 . 1 1 57 57 GLU H H 1 8.569 0.003 . . . . . . . 735 E HN . 26755 1 244 . 1 1 57 57 GLU C C 13 177.349 0.021 . . . . . . . 735 E C . 26755 1 245 . 1 1 57 57 GLU CA C 13 57.578 0.030 . . . . . . . 735 E CA . 26755 1 246 . 1 1 57 57 GLU CB C 13 30.118 0.069 . . . . . . . 735 E CB . 26755 1 247 . 1 1 57 57 GLU N N 15 122.365 0.027 . . . . . . . 735 E N . 26755 1 248 . 1 1 58 58 GLU H H 1 8.447 0.002 . . . . . . . 736 E HN . 26755 1 249 . 1 1 58 58 GLU C C 13 177.359 0.010 . . . . . . . 736 E C . 26755 1 250 . 1 1 58 58 GLU CA C 13 57.442 0.026 . . . . . . . 736 E CA . 26755 1 251 . 1 1 58 58 GLU CB C 13 29.836 0.046 . . . . . . . 736 E CB . 26755 1 252 . 1 1 58 58 GLU N N 15 121.197 0.034 . . . . . . . 736 E N . 26755 1 253 . 1 1 59 59 LEU H H 1 8.130 0.002 . . . . . . . 737 L HN . 26755 1 254 . 1 1 59 59 LEU C C 13 177.998 0.005 . . . . . . . 737 L C . 26755 1 255 . 1 1 59 59 LEU CA C 13 55.658 0.012 . . . . . . . 737 L CA . 26755 1 256 . 1 1 59 59 LEU CB C 13 41.986 0.028 . . . . . . . 737 L CB . 26755 1 257 . 1 1 59 59 LEU N N 15 121.785 0.033 . . . . . . . 737 L N . 26755 1 258 . 1 1 60 60 LYS H H 1 8.148 0.006 . . . . . . . 738 K HN . 26755 1 259 . 1 1 60 60 LYS C C 13 177.502 0.017 . . . . . . . 738 K C . 26755 1 260 . 1 1 60 60 LYS CA C 13 57.105 0.010 . . . . . . . 738 K CA . 26755 1 261 . 1 1 60 60 LYS CB C 13 32.854 0.133 . . . . . . . 738 K CB . 26755 1 262 . 1 1 60 60 LYS N N 15 121.234 0.151 . . . . . . . 738 K N . 26755 1 263 . 1 1 61 61 GLY H H 1 8.373 0.004 . . . . . . . 739 G HN . 26755 1 264 . 1 1 61 61 GLY C C 13 174.244 0.014 . . . . . . . 739 G C . 26755 1 265 . 1 1 61 61 GLY CA C 13 45.362 0.013 . . . . . . . 739 G CA . 26755 1 266 . 1 1 61 61 GLY N N 15 109.065 0.098 . . . . . . . 739 G N . 26755 1 267 . 1 1 62 62 LYS H H 1 8.090 0.001 . . . . . . . 740 K HN . 26755 1 268 . 1 1 62 62 LYS C C 13 176.809 0.035 . . . . . . . 740 K C . 26755 1 269 . 1 1 62 62 LYS CA C 13 56.460 0.027 . . . . . . . 740 K CA . 26755 1 270 . 1 1 62 62 LYS CB C 13 33.092 0.032 . . . . . . . 740 K CB . 26755 1 271 . 1 1 62 62 LYS N N 15 121.094 0.054 . . . . . . . 740 K N . 26755 1 272 . 1 1 63 63 VAL H H 1 8.276 0.001 . . . . . . . 741 V HN . 26755 1 273 . 1 1 63 63 VAL C C 13 176.456 0.008 . . . . . . . 741 V C . 26755 1 274 . 1 1 63 63 VAL CA C 13 62.626 0.018 . . . . . . . 741 V CA . 26755 1 275 . 1 1 63 63 VAL CB C 13 32.534 0.122 . . . . . . . 741 V CB . 26755 1 276 . 1 1 63 63 VAL N N 15 122.167 0.026 . . . . . . . 741 V N . 26755 1 277 . 1 1 64 64 LEU H H 1 8.498 0.001 . . . . . . . 742 L HN . 26755 1 278 . 1 1 64 64 LEU C C 13 177.961 0.013 . . . . . . . 742 L C . 26755 1 279 . 1 1 64 64 LEU CA C 13 55.295 0.035 . . . . . . . 742 L CA . 26755 1 280 . 1 1 64 64 LEU CB C 13 42.330 0.036 . . . . . . . 742 L CB . 26755 1 281 . 1 1 64 64 LEU N N 15 126.611 0.033 . . . . . . . 742 L N . 26755 1 282 . 1 1 65 65 GLY H H 1 8.456 0.002 . . . . . . . 743 G HN . 26755 1 283 . 1 1 65 65 GLY C C 13 174.089 0.018 . . . . . . . 743 G C . 26755 1 284 . 1 1 65 65 GLY CA C 13 45.274 0.014 . . . . . . . 743 G CA . 26755 1 285 . 1 1 65 65 GLY N N 15 109.574 0.026 . . . . . . . 743 G N . 26755 1 286 . 1 1 66 66 LEU H H 1 8.181 0.001 . . . . . . . 744 L HN . 26755 1 287 . 1 1 66 66 LEU C C 13 177.672 0.014 . . . . . . . 744 L C . 26755 1 288 . 1 1 66 66 LEU CA C 13 55.037 0.031 . . . . . . . 744 L CA . 26755 1 289 . 1 1 66 66 LEU CB C 13 42.508 0.054 . . . . . . . 744 L CB . 26755 1 290 . 1 1 66 66 LEU N N 15 121.633 0.018 . . . . . . . 744 L N . 26755 1 291 . 1 1 67 67 SER H H 1 8.455 0.001 . . . . . . . 745 S HN . 26755 1 292 . 1 1 67 67 SER C C 13 174.355 0.012 . . . . . . . 745 S C . 26755 1 293 . 1 1 67 67 SER CA C 13 58.396 0.090 . . . . . . . 745 S CA . 26755 1 294 . 1 1 67 67 SER CB C 13 63.647 0.004 . . . . . . . 745 S CB . 26755 1 295 . 1 1 67 67 SER N N 15 117.088 0.035 . . . . . . . 745 S N . 26755 1 296 . 1 1 68 68 ARG H H 1 8.439 0.001 . . . . . . . 746 R HN . 26755 1 297 . 1 1 68 68 ARG C C 13 175.731 0.008 . . . . . . . 746 R C . 26755 1 298 . 1 1 68 68 ARG CA C 13 55.629 0.033 . . . . . . . 746 R CA . 26755 1 299 . 1 1 68 68 ARG CB C 13 31.060 0.006 . . . . . . . 746 R CB . 26755 1 300 . 1 1 68 68 ARG N N 15 123.305 0.032 . . . . . . . 746 R N . 26755 1 301 . 1 1 69 69 ASP H H 1 8.543 0.002 . . . . . . . 747 D HN . 26755 1 302 . 1 1 69 69 ASP CA C 13 52.218 0.000 . . . . . . . 747 D CA . 26755 1 303 . 1 1 69 69 ASP CB C 13 41.063 0.000 . . . . . . . 747 D CB . 26755 1 304 . 1 1 69 69 ASP N N 15 123.996 0.050 . . . . . . . 747 D N . 26755 1 305 . 1 1 70 70 PRO C C 13 176.958 0.006 . . . . . . . 748 P C . 26755 1 306 . 1 1 70 70 PRO CA C 13 63.445 0.064 . . . . . . . 748 P CA . 26755 1 307 . 1 1 70 70 PRO CB C 13 32.238 0.000 . . . . . . . 748 P CB . 26755 1 308 . 1 1 71 71 ALA H H 1 8.456 0.001 . . . . . . . 749 A HN . 26755 1 309 . 1 1 71 71 ALA C C 13 178.047 0.009 . . . . . . . 749 A C . 26755 1 310 . 1 1 71 71 ALA CA C 13 52.576 0.060 . . . . . . . 749 A CA . 26755 1 311 . 1 1 71 71 ALA CB C 13 19.043 0.017 . . . . . . . 749 A CB . 26755 1 312 . 1 1 71 71 ALA N N 15 122.909 0.102 . . . . . . . 749 A N . 26755 1 313 . 1 1 72 72 LYS H H 1 8.093 0.002 . . . . . . . 750 K HN . 26755 1 314 . 1 1 72 72 LYS C C 13 176.656 0.002 . . . . . . . 750 K C . 26755 1 315 . 1 1 72 72 LYS CA C 13 56.006 0.049 . . . . . . . 750 K CA . 26755 1 316 . 1 1 72 72 LYS CB C 13 33.000 0.074 . . . . . . . 750 K CB . 26755 1 317 . 1 1 72 72 LYS N N 15 120.781 0.022 . . . . . . . 750 K N . 26755 1 318 . 1 1 73 73 VAL H H 1 8.243 0.001 . . . . . . . 751 V HN . 26755 1 319 . 1 1 73 73 VAL C C 13 176.004 0.013 . . . . . . . 751 V C . 26755 1 320 . 1 1 73 73 VAL CA C 13 62.366 0.127 . . . . . . . 751 V CA . 26755 1 321 . 1 1 73 73 VAL CB C 13 32.795 0.063 . . . . . . . 751 V CB . 26755 1 322 . 1 1 73 73 VAL N N 15 122.945 0.226 . . . . . . . 751 V N . 26755 1 323 . 1 1 74 74 ALA H H 1 8.499 0.002 . . . . . . . 752 A HN . 26755 1 324 . 1 1 74 74 ALA C C 13 177.851 0.006 . . . . . . . 752 A C . 26755 1 325 . 1 1 74 74 ALA CA C 13 52.557 0.026 . . . . . . . 752 A CA . 26755 1 326 . 1 1 74 74 ALA CB C 13 19.217 0.027 . . . . . . . 752 A CB . 26755 1 327 . 1 1 74 74 ALA N N 15 127.818 0.044 . . . . . . . 752 A N . 26755 1 328 . 1 1 75 75 GLU H H 1 8.506 0.001 . . . . . . . 753 E HN . 26755 1 329 . 1 1 75 75 GLU C C 13 176.808 0.010 . . . . . . . 753 E C . 26755 1 330 . 1 1 75 75 GLU CA C 13 56.671 0.144 . . . . . . . 753 E CA . 26755 1 331 . 1 1 75 75 GLU CB C 13 30.289 0.003 . . . . . . . 753 E CB . 26755 1 332 . 1 1 75 75 GLU N N 15 120.703 0.014 . . . . . . . 753 E N . 26755 1 333 . 1 1 76 76 GLU H H 1 8.531 0.001 . . . . . . . 754 E HN . 26755 1 334 . 1 1 76 76 GLU C C 13 176.252 0.010 . . . . . . . 754 E C . 26755 1 335 . 1 1 76 76 GLU CA C 13 56.560 0.046 . . . . . . . 754 E CA . 26755 1 336 . 1 1 76 76 GLU CB C 13 30.345 0.019 . . . . . . . 754 E CB . 26755 1 337 . 1 1 76 76 GLU N N 15 121.272 0.252 . . . . . . . 754 E N . 26755 1 338 . 1 1 77 77 ASP H H 1 8.462 0.003 . . . . . . . 755 D HN . 26755 1 339 . 1 1 77 77 ASP C C 13 176.339 0.009 . . . . . . . 755 D C . 26755 1 340 . 1 1 77 77 ASP CA C 13 54.330 0.006 . . . . . . . 755 D CA . 26755 1 341 . 1 1 77 77 ASP CB C 13 41.173 0.111 . . . . . . . 755 D CB . 26755 1 342 . 1 1 77 77 ASP N N 15 121.592 0.184 . . . . . . . 755 D N . 26755 1 343 . 1 1 78 78 GLU H H 1 8.423 0.001 . . . . . . . 756 E HN . 26755 1 344 . 1 1 78 78 GLU C C 13 176.308 0.000 . . . . . . . 756 E C . 26755 1 345 . 1 1 78 78 GLU CA C 13 56.318 0.200 . . . . . . . 756 E CA . 26755 1 346 . 1 1 78 78 GLU CB C 13 30.536 0.023 . . . . . . . 756 E CB . 26755 1 347 . 1 1 78 78 GLU N N 15 121.770 0.030 . . . . . . . 756 E N . 26755 1 348 . 1 1 79 79 ASP H H 1 8.532 0.008 . . . . . . . 757 D HN . 26755 1 349 . 1 1 79 79 ASP C C 13 176.099 0.000 . . . . . . . 757 D C . 26755 1 350 . 1 1 79 79 ASP CA C 13 54.322 0.017 . . . . . . . 757 D CA . 26755 1 351 . 1 1 79 79 ASP CB C 13 41.332 0.024 . . . . . . . 757 D CB . 26755 1 352 . 1 1 79 79 ASP N N 15 121.854 0.227 . . . . . . . 757 D N . 26755 1 353 . 1 1 80 80 ASP H H 1 8.387 0.001 . . . . . . . 758 D HN . 26755 1 354 . 1 1 80 80 ASP C C 13 176.348 0.000 . . . . . . . 758 D C . 26755 1 355 . 1 1 80 80 ASP CA C 13 54.349 0.011 . . . . . . . 758 D CA . 26755 1 356 . 1 1 80 80 ASP CB C 13 41.407 0.010 . . . . . . . 758 D CB . 26755 1 357 . 1 1 80 80 ASP N N 15 121.565 0.032 . . . . . . . 758 D N . 26755 1 358 . 1 1 81 81 ASP H H 1 8.467 0.035 . . . . . . . 759 D HN . 26755 1 359 . 1 1 81 81 ASP C C 13 177.439 0.021 . . . . . . . 759 D C . 26755 1 360 . 1 1 81 81 ASP CA C 13 54.406 0.022 . . . . . . . 759 D CA . 26755 1 361 . 1 1 81 81 ASP CB C 13 41.076 0.036 . . . . . . . 759 D CB . 26755 1 362 . 1 1 81 81 ASP N N 15 121.819 0.117 . . . . . . . 759 D N . 26755 1 363 . 1 1 82 82 GLY H H 1 8.593 0.001 . . . . . . . 760 G HN . 26755 1 364 . 1 1 82 82 GLY C C 13 175.318 0.011 . . . . . . . 760 G C . 26755 1 365 . 1 1 82 82 GLY CA C 13 45.846 0.009 . . . . . . . 760 G CA . 26755 1 366 . 1 1 82 82 GLY N N 15 109.607 0.031 . . . . . . . 760 G N . 26755 1 367 . 1 1 83 83 GLY H H 1 8.427 0.002 . . . . . . . 761 G HN . 26755 1 368 . 1 1 83 83 GLY C C 13 174.714 0.013 . . . . . . . 761 G C . 26755 1 369 . 1 1 83 83 GLY CA C 13 45.516 0.045 . . . . . . . 761 G CA . 26755 1 370 . 1 1 83 83 GLY N N 15 109.260 0.192 . . . . . . . 761 G N . 26755 1 371 . 1 1 84 84 ILE H H 1 8.024 0.001 . . . . . . . 762 I HN . 26755 1 372 . 1 1 84 84 ILE C C 13 177.111 0.015 . . . . . . . 762 I C . 26755 1 373 . 1 1 84 84 ILE CA C 13 62.236 0.017 . . . . . . . 762 I CA . 26755 1 374 . 1 1 84 84 ILE CB C 13 38.390 0.000 . . . . . . . 762 I CB . 26755 1 375 . 1 1 84 84 ILE N N 15 120.429 0.166 . . . . . . . 762 I N . 26755 1 376 . 1 1 85 85 MET H H 1 8.614 0.001 . . . . . . . 763 M HN . 26755 1 377 . 1 1 85 85 MET C C 13 176.917 0.002 . . . . . . . 763 M C . 26755 1 378 . 1 1 85 85 MET CA C 13 55.843 0.181 . . . . . . . 763 M CA . 26755 1 379 . 1 1 85 85 MET CB C 13 32.163 0.098 . . . . . . . 763 M CB . 26755 1 380 . 1 1 85 85 MET N N 15 123.136 0.027 . . . . . . . 763 M N . 26755 1 381 . 1 1 86 86 MET H H 1 8.391 0.011 . . . . . . . 764 M HN . 26755 1 382 . 1 1 86 86 MET C C 13 176.713 0.001 . . . . . . . 764 M C . 26755 1 383 . 1 1 86 86 MET CA C 13 55.811 0.210 . . . . . . . 764 M CA . 26755 1 384 . 1 1 86 86 MET CB C 13 32.361 0.039 . . . . . . . 764 M CB . 26755 1 385 . 1 1 86 86 MET N N 15 121.637 0.336 . . . . . . . 764 M N . 26755 1 386 . 1 1 87 87 ARG H H 1 8.339 0.007 . . . . . . . 765 R HN . 26755 1 387 . 1 1 87 87 ARG C C 13 176.766 0.002 . . . . . . . 765 R C . 26755 1 388 . 1 1 87 87 ARG CA C 13 56.416 0.057 . . . . . . . 765 R CA . 26755 1 389 . 1 1 87 87 ARG CB C 13 30.763 0.106 . . . . . . . 765 R CB . 26755 1 390 . 1 1 87 87 ARG N N 15 122.002 0.064 . . . . . . . 765 R N . 26755 1 391 . 1 1 88 88 SER H H 1 8.417 0.021 . . . . . . . 766 S HN . 26755 1 392 . 1 1 88 88 SER C C 13 174.844 0.048 . . . . . . . 766 S C . 26755 1 393 . 1 1 88 88 SER CA C 13 58.639 0.051 . . . . . . . 766 S CA . 26755 1 394 . 1 1 88 88 SER CB C 13 63.837 0.159 . . . . . . . 766 S CB . 26755 1 395 . 1 1 88 88 SER N N 15 117.288 0.434 . . . . . . . 766 S N . 26755 1 396 . 1 1 89 89 LYS H H 1 8.423 0.002 . . . . . . . 767 K HN . 26755 1 397 . 1 1 89 89 LYS C C 13 176.838 0.012 . . . . . . . 767 K C . 26755 1 398 . 1 1 89 89 LYS CA C 13 56.421 0.178 . . . . . . . 767 K CA . 26755 1 399 . 1 1 89 89 LYS CB C 13 33.047 0.139 . . . . . . . 767 K CB . 26755 1 400 . 1 1 89 89 LYS N N 15 123.348 0.102 . . . . . . . 767 K N . 26755 1 401 . 1 1 90 90 GLU H H 1 8.497 0.029 . . . . . . . 768 E HN . 26755 1 402 . 1 1 90 90 GLU C C 13 176.820 0.013 . . . . . . . 768 E C . 26755 1 403 . 1 1 90 90 GLU CA C 13 56.693 0.059 . . . . . . . 768 E CA . 26755 1 404 . 1 1 90 90 GLU CB C 13 30.163 0.052 . . . . . . . 768 E CB . 26755 1 405 . 1 1 90 90 GLU N N 15 122.094 0.302 . . . . . . . 768 E N . 26755 1 406 . 1 1 91 91 THR H H 1 8.324 0.001 . . . . . . . 769 T HN . 26755 1 407 . 1 1 91 91 THR C C 13 174.446 0.062 . . . . . . . 769 T C . 26755 1 408 . 1 1 91 91 THR CA C 13 61.624 0.192 . . . . . . . 769 T CA . 26755 1 409 . 1 1 91 91 THR CB C 13 69.855 0.035 . . . . . . . 769 T CB . 26755 1 410 . 1 1 91 91 THR N N 15 115.311 0.021 . . . . . . . 769 T N . 26755 1 411 . 1 1 92 92 SER H H 1 8.442 0.021 . . . . . . . 770 S HN . 26755 1 412 . 1 1 92 92 SER C C 13 174.140 0.026 . . . . . . . 770 S C . 26755 1 413 . 1 1 92 92 SER CA C 13 58.305 0.104 . . . . . . . 770 S CA . 26755 1 414 . 1 1 92 92 SER CB C 13 63.883 0.029 . . . . . . . 770 S CB . 26755 1 415 . 1 1 92 92 SER N N 15 118.637 0.150 . . . . . . . 770 S N . 26755 1 416 . 1 1 93 93 SER H H 1 8.562 0.001 . . . . . . . 771 S HN . 26755 1 417 . 1 1 93 93 SER C C 13 172.649 0.000 . . . . . . . 771 S C . 26755 1 418 . 1 1 93 93 SER CA C 13 56.419 0.000 . . . . . . . 771 S CA . 26755 1 419 . 1 1 93 93 SER CB C 13 63.156 0.000 . . . . . . . 771 S CB . 26755 1 420 . 1 1 93 93 SER N N 15 119.172 0.037 . . . . . . . 771 S N . 26755 1 421 . 1 1 94 94 PRO C C 13 177.589 0.018 . . . . . . . 772 P C . 26755 1 422 . 1 1 94 94 PRO CA C 13 63.576 0.012 . . . . . . . 772 P CA . 26755 1 423 . 1 1 94 94 PRO CB C 13 32.038 0.071 . . . . . . . 772 P CB . 26755 1 424 . 1 1 95 95 GLY H H 1 8.660 0.001 . . . . . . . 773 G HN . 26755 1 425 . 1 1 95 95 GLY C C 13 174.528 0.012 . . . . . . . 773 G C . 26755 1 426 . 1 1 95 95 GLY CA C 13 45.250 0.021 . . . . . . . 773 G CA . 26755 1 427 . 1 1 95 95 GLY N N 15 109.893 0.025 . . . . . . . 773 G N . 26755 1 428 . 1 1 96 96 THR H H 1 8.149 0.019 . . . . . . . 774 T HN . 26755 1 429 . 1 1 96 96 THR C C 13 174.567 0.016 . . . . . . . 774 T C . 26755 1 430 . 1 1 96 96 THR CA C 13 61.879 0.066 . . . . . . . 774 T CA . 26755 1 431 . 1 1 96 96 THR CB C 13 69.799 0.043 . . . . . . . 774 T CB . 26755 1 432 . 1 1 96 96 THR N N 15 113.378 0.364 . . . . . . . 774 T N . 26755 1 433 . 1 1 97 97 ASP H H 1 8.508 0.001 . . . . . . . 775 D HN . 26755 1 434 . 1 1 97 97 ASP C C 13 175.915 0.020 . . . . . . . 775 D C . 26755 1 435 . 1 1 97 97 ASP CA C 13 54.399 0.025 . . . . . . . 775 D CA . 26755 1 436 . 1 1 97 97 ASP CB C 13 41.093 0.011 . . . . . . . 775 D CB . 26755 1 437 . 1 1 97 97 ASP N N 15 122.429 0.037 . . . . . . . 775 D N . 26755 1 438 . 1 1 98 98 ASP H H 1 8.313 0.001 . . . . . . . 776 D HN . 26755 1 439 . 1 1 98 98 ASP C C 13 176.117 0.001 . . . . . . . 776 D C . 26755 1 440 . 1 1 98 98 ASP CA C 13 54.421 0.028 . . . . . . . 776 D CA . 26755 1 441 . 1 1 98 98 ASP CB C 13 41.147 0.059 . . . . . . . 776 D CB . 26755 1 442 . 1 1 98 98 ASP N N 15 120.899 0.025 . . . . . . . 776 D N . 26755 1 443 . 1 1 99 99 VAL H H 1 8.088 0.001 . . . . . . . 777 V HN . 26755 1 444 . 1 1 99 99 VAL C C 13 175.837 0.019 . . . . . . . 777 V C . 26755 1 445 . 1 1 99 99 VAL CA C 13 62.113 0.149 . . . . . . . 777 V CA . 26755 1 446 . 1 1 99 99 VAL CB C 13 32.837 0.082 . . . . . . . 777 V CB . 26755 1 447 . 1 1 99 99 VAL N N 15 120.159 0.033 . . . . . . . 777 V N . 26755 1 448 . 1 1 100 100 PHE H H 1 8.482 0.071 . . . . . . . 778 F HN . 26755 1 449 . 1 1 100 100 PHE C C 13 175.343 0.001 . . . . . . . 778 F C . 26755 1 450 . 1 1 100 100 PHE CA C 13 57.661 0.016 . . . . . . . 778 F CA . 26755 1 451 . 1 1 100 100 PHE CB C 13 39.738 0.014 . . . . . . . 778 F CB . 26755 1 452 . 1 1 100 100 PHE N N 15 125.024 0.049 . . . . . . . 778 F N . 26755 1 453 . 1 1 101 101 THR H H 1 8.190 0.001 . . . . . . . 779 T HN . 26755 1 454 . 1 1 101 101 THR C C 13 171.814 0.000 . . . . . . . 779 T C . 26755 1 455 . 1 1 101 101 THR CA C 13 59.311 0.000 . . . . . . . 779 T CA . 26755 1 456 . 1 1 101 101 THR CB C 13 69.957 0.000 . . . . . . . 779 T CB . 26755 1 457 . 1 1 101 101 THR N N 15 121.700 0.018 . . . . . . . 779 T N . 26755 1 458 . 1 1 102 102 PRO C C 13 176.173 0.000 . . . . . . . 780 P C . 26755 1 459 . 1 1 102 102 PRO CA C 13 62.785 0.185 . . . . . . . 780 P CA . 26755 1 460 . 1 1 102 102 PRO CB C 13 32.287 0.073 . . . . . . . 780 P CB . 26755 1 461 . 1 1 103 103 ALA H H 1 8.590 0.003 . . . . . . . 781 A HN . 26755 1 462 . 1 1 103 103 ALA C C 13 175.873 0.000 . . . . . . . 781 A C . 26755 1 463 . 1 1 103 103 ALA CA C 13 50.402 0.000 . . . . . . . 781 A CA . 26755 1 464 . 1 1 103 103 ALA CB C 13 17.862 0.000 . . . . . . . 781 A CB . 26755 1 465 . 1 1 103 103 ALA N N 15 126.365 0.281 . . . . . . . 781 A N . 26755 1 466 . 1 1 104 104 PRO C C 13 177.213 0.013 . . . . . . . 782 P C . 26755 1 467 . 1 1 104 104 PRO CA C 13 63.114 0.060 . . . . . . . 782 P CA . 26755 1 468 . 1 1 104 104 PRO CB C 13 32.112 0.007 . . . . . . . 782 P CB . 26755 1 469 . 1 1 105 105 SER H H 1 8.521 0.002 . . . . . . . 783 S HN . 26755 1 470 . 1 1 105 105 SER C C 13 174.379 0.016 . . . . . . . 783 S C . 26755 1 471 . 1 1 105 105 SER CA C 13 58.421 0.055 . . . . . . . 783 S CA . 26755 1 472 . 1 1 105 105 SER CB C 13 63.813 0.044 . . . . . . . 783 S CB . 26755 1 473 . 1 1 105 105 SER N N 15 115.956 0.283 . . . . . . . 783 S N . 26755 1 474 . 1 1 106 106 ASP H H 1 8.417 0.000 . . . . . . . 784 D HN . 26755 1 475 . 1 1 106 106 ASP C C 13 175.973 0.015 . . . . . . . 784 D C . 26755 1 476 . 1 1 106 106 ASP CA C 13 54.114 0.013 . . . . . . . 784 D CA . 26755 1 477 . 1 1 106 106 ASP CB C 13 41.086 0.033 . . . . . . . 784 D CB . 26755 1 478 . 1 1 106 106 ASP N N 15 122.261 0.029 . . . . . . . 784 D N . 26755 1 479 . 1 1 107 107 SER H H 1 8.305 0.001 . . . . . . . 785 S HN . 26755 1 480 . 1 1 107 107 SER C C 13 173.031 0.000 . . . . . . . 785 S C . 26755 1 481 . 1 1 107 107 SER CA C 13 56.498 0.000 . . . . . . . 785 S CA . 26755 1 482 . 1 1 107 107 SER CB C 13 63.257 0.000 . . . . . . . 785 S CB . 26755 1 483 . 1 1 107 107 SER N N 15 117.130 0.018 . . . . . . . 785 S N . 26755 1 484 . 1 1 108 108 PRO C C 13 177.558 0.013 . . . . . . . 786 P C . 26755 1 485 . 1 1 108 108 PRO CA C 13 63.769 0.003 . . . . . . . 786 P CA . 26755 1 486 . 1 1 108 108 PRO CB C 13 32.170 0.012 . . . . . . . 786 P CB . 26755 1 487 . 1 1 109 109 SER H H 1 8.497 0.007 . . . . . . . 787 S HN . 26755 1 488 . 1 1 109 109 SER C C 13 175.209 0.044 . . . . . . . 787 S C . 26755 1 489 . 1 1 109 109 SER CA C 13 58.908 0.006 . . . . . . . 787 S CA . 26755 1 490 . 1 1 109 109 SER CB C 13 63.392 0.011 . . . . . . . 787 S CB . 26755 1 491 . 1 1 109 109 SER N N 15 115.541 0.041 . . . . . . . 787 S N . 26755 1 492 . 1 1 110 110 SER H H 1 8.337 0.002 . . . . . . . 788 S HN . 26755 1 493 . 1 1 110 110 SER C C 13 174.788 0.024 . . . . . . . 788 S C . 26755 1 494 . 1 1 110 110 SER CA C 13 58.860 0.020 . . . . . . . 788 S CA . 26755 1 495 . 1 1 110 110 SER CB C 13 63.531 0.011 . . . . . . . 788 S CB . 26755 1 496 . 1 1 110 110 SER N N 15 117.957 0.097 . . . . . . . 788 S N . 26755 1 497 . 1 1 111 111 GLN H H 1 8.323 0.006 . . . . . . . 789 Q HN . 26755 1 498 . 1 1 111 111 GLN C C 13 176.020 0.020 . . . . . . . 789 Q C . 26755 1 499 . 1 1 111 111 GLN CA C 13 56.180 0.123 . . . . . . . 789 Q CA . 26755 1 500 . 1 1 111 111 GLN CB C 13 29.239 0.085 . . . . . . . 789 Q CB . 26755 1 501 . 1 1 111 111 GLN N N 15 121.838 0.061 . . . . . . . 789 Q N . 26755 1 502 . 1 1 112 112 ARG H H 1 8.299 0.037 . . . . . . . 790 R HN . 26755 1 503 . 1 1 112 112 ARG C C 13 176.409 0.013 . . . . . . . 790 R C . 26755 1 504 . 1 1 112 112 ARG CA C 13 56.383 0.080 . . . . . . . 790 R CA . 26755 1 505 . 1 1 112 112 ARG CB C 13 30.644 0.038 . . . . . . . 790 R CB . 26755 1 506 . 1 1 112 112 ARG N N 15 122.419 0.055 . . . . . . . 790 R N . 26755 1 507 . 1 1 113 113 ILE H H 1 8.278 0.001 . . . . . . . 791 I HN . 26755 1 508 . 1 1 113 113 ILE C C 13 176.367 0.007 . . . . . . . 791 I C . 26755 1 509 . 1 1 113 113 ILE CA C 13 61.248 0.026 . . . . . . . 791 I CA . 26755 1 510 . 1 1 113 113 ILE CB C 13 38.564 0.024 . . . . . . . 791 I CB . 26755 1 511 . 1 1 113 113 ILE N N 15 122.777 0.030 . . . . . . . 791 I N . 26755 1 512 . 1 1 114 114 GLN H H 1 8.571 0.001 . . . . . . . 792 Q HN . 26755 1 513 . 1 1 114 114 GLN C C 13 175.894 0.014 . . . . . . . 792 Q C . 26755 1 514 . 1 1 114 114 GLN CA C 13 55.807 0.064 . . . . . . . 792 Q CA . 26755 1 515 . 1 1 114 114 GLN CB C 13 29.492 0.013 . . . . . . . 792 Q CB . 26755 1 516 . 1 1 114 114 GLN N N 15 125.216 0.035 . . . . . . . 792 Q N . 26755 1 517 . 1 1 115 115 ARG H H 1 8.532 0.003 . . . . . . . 793 R HN . 26755 1 518 . 1 1 115 115 ARG C C 13 176.133 0.010 . . . . . . . 793 R C . 26755 1 519 . 1 1 115 115 ARG CA C 13 56.458 0.283 . . . . . . . 793 R CA . 26755 1 520 . 1 1 115 115 ARG CB C 13 30.626 0.321 . . . . . . . 793 R CB . 26755 1 521 . 1 1 115 115 ARG N N 15 123.508 0.016 . . . . . . . 793 R N . 26755 1 522 . 1 1 116 116 CYS H H 1 8.581 0.024 . . . . . . . 794 C HN . 26755 1 523 . 1 1 116 116 CYS C C 13 175.038 0.002 . . . . . . . 794 C C . 26755 1 524 . 1 1 116 116 CYS CA C 13 58.615 0.015 . . . . . . . 794 C CA . 26755 1 525 . 1 1 116 116 CYS CB C 13 27.933 0.085 . . . . . . . 794 C CB . 26755 1 526 . 1 1 116 116 CYS N N 15 121.207 0.052 . . . . . . . 794 C N . 26755 1 527 . 1 1 117 117 LEU H H 1 8.568 0.002 . . . . . . . 795 L HN . 26755 1 528 . 1 1 117 117 LEU C C 13 177.447 0.024 . . . . . . . 795 L C . 26755 1 529 . 1 1 117 117 LEU CA C 13 55.748 0.049 . . . . . . . 795 L CA . 26755 1 530 . 1 1 117 117 LEU CB C 13 42.159 0.047 . . . . . . . 795 L CB . 26755 1 531 . 1 1 117 117 LEU N N 15 125.344 0.035 . . . . . . . 795 L N . 26755 1 532 . 1 1 118 118 SER H H 1 8.234 0.004 . . . . . . . 796 S HN . 26755 1 533 . 1 1 118 118 SER C C 13 173.826 0.047 . . . . . . . 796 S C . 26755 1 534 . 1 1 118 118 SER CA C 13 58.291 0.045 . . . . . . . 796 S CA . 26755 1 535 . 1 1 118 118 SER CB C 13 63.610 0.087 . . . . . . . 796 S CB . 26755 1 536 . 1 1 118 118 SER N N 15 115.435 0.109 . . . . . . . 796 S N . 26755 1 537 . 1 1 119 119 ASP H H 1 8.257 0.002 . . . . . . . 797 D HN . 26755 1 538 . 1 1 119 119 ASP C C 13 174.508 0.000 . . . . . . . 797 D C . 26755 1 539 . 1 1 119 119 ASP CA C 13 52.379 0.000 . . . . . . . 797 D CA . 26755 1 540 . 1 1 119 119 ASP CB C 13 41.091 0.000 . . . . . . . 797 D CB . 26755 1 541 . 1 1 119 119 ASP N N 15 123.746 0.113 . . . . . . . 797 D N . 26755 1 542 . 1 1 120 120 PRO C C 13 177.320 0.009 . . . . . . . 798 P C . 26755 1 543 . 1 1 120 120 PRO CA C 13 63.554 0.070 . . . . . . . 798 P CA . 26755 1 544 . 1 1 120 120 PRO CB C 13 32.502 0.090 . . . . . . . 798 P CB . 26755 1 545 . 1 1 121 121 GLY H H 1 8.390 0.001 . . . . . . . 799 G HN . 26755 1 546 . 1 1 121 121 GLY C C 13 171.564 0.000 . . . . . . . 799 G C . 26755 1 547 . 1 1 121 121 GLY CA C 13 44.414 0.000 . . . . . . . 799 G CA . 26755 1 548 . 1 1 121 121 GLY N N 15 109.316 0.043 . . . . . . . 799 G N . 26755 1 549 . 1 1 122 122 PRO C C 13 176.817 0.000 . . . . . . . 800 P C . 26755 1 550 . 1 1 122 122 PRO CA C 13 62.900 0.020 . . . . . . . 800 P CA . 26755 1 551 . 1 1 122 122 PRO CB C 13 32.064 0.046 . . . . . . . 800 P CB . 26755 1 552 . 1 1 123 123 HIS H H 1 8.590 0.004 . . . . . . . 801 H HN . 26755 1 553 . 1 1 123 123 HIS C C 13 172.830 0.000 . . . . . . . 801 H C . 26755 1 554 . 1 1 123 123 HIS CA C 13 53.783 0.000 . . . . . . . 801 H CA . 26755 1 555 . 1 1 123 123 HIS CB C 13 29.689 0.000 . . . . . . . 801 H CB . 26755 1 556 . 1 1 123 123 HIS N N 15 120.614 0.050 . . . . . . . 801 H N . 26755 1 557 . 1 1 126 126 PRO C C 13 177.613 0.024 . . . . . . . 804 P C . 26755 1 558 . 1 1 126 126 PRO CA C 13 63.550 0.004 . . . . . . . 804 P CA . 26755 1 559 . 1 1 126 126 PRO CB C 13 32.054 0.024 . . . . . . . 804 P CB . 26755 1 560 . 1 1 127 127 GLY H H 1 8.629 0.001 . . . . . . . 805 G HN . 26755 1 561 . 1 1 127 127 GLY C C 13 174.193 0.021 . . . . . . . 805 G C . 26755 1 562 . 1 1 127 127 GLY CA C 13 44.991 0.004 . . . . . . . 805 G CA . 26755 1 563 . 1 1 127 127 GLY N N 15 110.033 0.023 . . . . . . . 805 G N . 26755 1 564 . 1 1 128 128 GLU H H 1 8.340 0.001 . . . . . . . 806 E HN . 26755 1 565 . 1 1 128 128 GLU C C 13 177.159 0.013 . . . . . . . 806 E C . 26755 1 566 . 1 1 128 128 GLU CA C 13 56.746 0.027 . . . . . . . 806 E CA . 26755 1 567 . 1 1 128 128 GLU CB C 13 30.256 0.032 . . . . . . . 806 E CB . 26755 1 568 . 1 1 128 128 GLU N N 15 120.651 0.024 . . . . . . . 806 E N . 26755 1 569 . 1 1 129 129 GLY H H 1 8.598 0.001 . . . . . . . 807 G HN . 26755 1 570 . 1 1 129 129 GLY C C 13 173.809 0.006 . . . . . . . 807 G C . 26755 1 571 . 1 1 129 129 GLY CA C 13 44.932 0.013 . . . . . . . 807 G CA . 26755 1 572 . 1 1 129 129 GLY N N 15 110.579 0.038 . . . . . . . 807 G N . 26755 1 573 . 1 1 130 130 GLU H H 1 8.237 0.001 . . . . . . . 808 E HN . 26755 1 574 . 1 1 130 130 GLU C C 13 174.707 0.000 . . . . . . . 808 E C . 26755 1 575 . 1 1 130 130 GLU CA C 13 54.314 0.000 . . . . . . . 808 E CA . 26755 1 576 . 1 1 130 130 GLU CB C 13 29.636 0.000 . . . . . . . 808 E CB . 26755 1 577 . 1 1 130 130 GLU N N 15 121.749 0.027 . . . . . . . 808 E N . 26755 1 578 . 1 1 131 131 PRO C C 13 176.113 0.000 . . . . . . . 809 P C . 26755 1 579 . 1 1 131 131 PRO CA C 13 63.080 0.006 . . . . . . . 809 P CA . 26755 1 580 . 1 1 131 131 PRO CB C 13 31.991 0.009 . . . . . . . 809 P CB . 26755 1 581 . 1 1 132 132 PHE H H 1 8.314 0.001 . . . . . . . 810 F HN . 26755 1 582 . 1 1 132 132 PHE C C 13 174.773 0.001 . . . . . . . 810 F C . 26755 1 583 . 1 1 132 132 PHE CA C 13 57.591 0.014 . . . . . . . 810 F CA . 26755 1 584 . 1 1 132 132 PHE CB C 13 39.823 0.021 . . . . . . . 810 F CB . 26755 1 585 . 1 1 132 132 PHE N N 15 120.731 0.026 . . . . . . . 810 F N . 26755 1 586 . 1 1 133 133 PHE H H 1 8.130 0.002 . . . . . . . 811 F HN . 26755 1 587 . 1 1 133 133 PHE C C 13 173.090 0.000 . . . . . . . 811 F C . 26755 1 588 . 1 1 133 133 PHE CA C 13 55.059 0.000 . . . . . . . 811 F CA . 26755 1 589 . 1 1 133 133 PHE CB C 13 39.591 0.000 . . . . . . . 811 F CB . 26755 1 590 . 1 1 133 133 PHE N N 15 124.383 0.028 . . . . . . . 811 F N . 26755 1 591 . 1 1 134 134 PRO C C 13 176.796 0.000 . . . . . . . 812 P C . 26755 1 592 . 1 1 134 134 PRO CA C 13 62.945 0.001 . . . . . . . 812 P CA . 26755 1 593 . 1 1 134 134 PRO CB C 13 32.079 0.041 . . . . . . . 812 P CB . 26755 1 594 . 1 1 135 135 LYS H H 1 8.550 0.003 . . . . . . . 813 K HN . 26755 1 595 . 1 1 135 135 LYS C C 13 177.362 0.017 . . . . . . . 813 K C . 26755 1 596 . 1 1 135 135 LYS CA C 13 56.422 0.110 . . . . . . . 813 K CA . 26755 1 597 . 1 1 135 135 LYS CB C 13 33.141 0.014 . . . . . . . 813 K CB . 26755 1 598 . 1 1 135 135 LYS N N 15 121.946 0.058 . . . . . . . 813 K N . 26755 1 599 . 1 1 136 136 GLY H H 1 8.551 0.002 . . . . . . . 814 G HN . 26755 1 600 . 1 1 136 136 GLY C C 13 173.296 0.002 . . . . . . . 814 G C . 26755 1 601 . 1 1 136 136 GLY CA C 13 45.278 0.008 . . . . . . . 814 G CA . 26755 1 602 . 1 1 136 136 GLY N N 15 110.970 0.023 . . . . . . . 814 G N . 26755 1 603 . 1 1 137 137 GLN H H 1 8.018 0.001 . . . . . . . 815 Q HN . 26755 1 604 . 1 1 137 137 GLN C C 13 180.716 0.000 . . . . . . . 815 Q C . 26755 1 605 . 1 1 137 137 GLN CA C 13 57.191 0.000 . . . . . . . 815 Q CA . 26755 1 606 . 1 1 137 137 GLN CB C 13 30.379 0.000 . . . . . . . 815 Q CB . 26755 1 607 . 1 1 137 137 GLN N N 15 124.870 0.031 . . . . . . . 815 Q N . 26755 1 stop_ save_