data_52071 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52071 _Entry.Title ; Backbone assignment of Ca2+ bound Arabidopsis thaliana Calmodulin1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-07 _Entry.Accession_date 2023-08-07 _Entry.Last_release_date 2023-08-07 _Entry.Original_release_date 2023-08-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'Backbone assignment of Ca2+ bound Arabidopsis thaliana Calmodulin1 at 25degC, pH7.5' _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 Marco Pedretti . . . 0000-0002-3902-3512 52071 2 Filippo Favretto . . . 0000-0002-2964-1157 52071 3 Francesca Troilo . . . . 52071 4 Moira Giovannoni . . . . 52071 5 Carolina Conter . . . 0000-0002-5999-8667 52071 6 Benedetta Mattei . . . . 52071 7 Paola Dominici . . . . 52071 8 Carlo Travaglini-Allocatelli . . . . 52071 9 Adele 'Di Matteo' . . . . 52071 10 Alessandra Astegno . . . 0000-0002-7341-0970 52071 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 Verona, Department of Biotechnology' . 52071 2 . 'CNR Institute of Molecular Biology and Pathology' . 52071 3 . 'Department of Life, Health and Environmental Sciences' . 52071 4 . 'University of Verona, Department of Biotechnology' . 52071 5 . 'Department of Life, Health and Environmental Sciences' . 52071 6 . 'University of Verona, Department of Biotechnology' . 52071 7 . 'CNR Institute of Molecular Biology and Pathology' . 52071 8 . 'CNR Institute of Molecular Biology and Pathology' . 52071 9 . 'University of Verona, Department of Biotechnology' . 52071 10 . 'University of Verona, Department of Biotechnology' . 52071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 52071 '15N chemical shifts' 144 52071 '1H chemical shifts' 144 52071 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 1 . . 2023-09-30 . original BMRB . 52071 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52071 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37717348 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Role of myristoylation in modulating PCaP1 interaction with calmodulin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant Physiol. Biochem.' _Citation.Journal_name_full 'Plant physiology and biochemistry : PPB' _Citation.Journal_volume 203 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-2690 _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 108003 _Citation.Page_last 108003 _Citation.Year 2023 _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 Marco Pedretti . . . . 52071 1 2 Filippo Favretto . . . . 52071 1 3 Francesca Troilo . . . . 52071 1 4 Moira Giovannoni . . . . 52071 1 5 Carolina Conter . . . . 52071 1 6 Benedetta Mattei . . . . 52071 1 7 Paola Dominici . . . . 52071 1 8 Carlo Travaglini-Allocatelli . . . . 52071 1 9 Adele 'Di Matteo' . . . . 52071 1 10 Alessandra Astegno . . . . 52071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52071 _Assembly.ID 1 _Assembly.Name 'Complex AtCaM1 Ca2+' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17000 _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 'AtCaM1 calcium bound' 1 $entity_1 . . yes native no no . . . 52071 1 2 'calcium ion, 1' 2 $entity_CA . . no native no no . . . 52071 1 3 'calcium ion, 2' 2 $entity_CA . . no native no no . . . 52071 1 4 'calcium ion, 3' 2 $entity_CA . . no native no no . . . 52071 1 5 'calcium ion, 4' 2 $entity_CA . . no native no no . . . 52071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADQLTDEQISEFKEAFSLF DKDGDGCITTKELGTVMRSL GQNPTEAELQDMINEVDADG NGTIDFPEFLNLMAKKMKDT DSEEELKEAFRVFDKDQNGF ISAAELRHVMTNLGEKLTDE EVEEMIREADVDGDGQINYE EFVKIMMAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'CALM1_ARATH Calmodulin-1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Calcium binding protein that mediates the Ca2+ regulation in numerous biological processes.' 52071 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 . MET . 52071 1 2 . ALA . 52071 1 3 . ASP . 52071 1 4 . GLN . 52071 1 5 . LEU . 52071 1 6 . THR . 52071 1 7 . ASP . 52071 1 8 . GLU . 52071 1 9 . GLN . 52071 1 10 . ILE . 52071 1 11 . SER . 52071 1 12 . GLU . 52071 1 13 . PHE . 52071 1 14 . LYS . 52071 1 15 . GLU . 52071 1 16 . ALA . 52071 1 17 . PHE . 52071 1 18 . SER . 52071 1 19 . LEU . 52071 1 20 . PHE . 52071 1 21 . ASP . 52071 1 22 . LYS . 52071 1 23 . ASP . 52071 1 24 . GLY . 52071 1 25 . ASP . 52071 1 26 . GLY . 52071 1 27 . CYS . 52071 1 28 . ILE . 52071 1 29 . THR . 52071 1 30 . THR . 52071 1 31 . LYS . 52071 1 32 . GLU . 52071 1 33 . LEU . 52071 1 34 . GLY . 52071 1 35 . THR . 52071 1 36 . VAL . 52071 1 37 . MET . 52071 1 38 . ARG . 52071 1 39 . SER . 52071 1 40 . LEU . 52071 1 41 . GLY . 52071 1 42 . GLN . 52071 1 43 . ASN . 52071 1 44 . PRO . 52071 1 45 . THR . 52071 1 46 . GLU . 52071 1 47 . ALA . 52071 1 48 . GLU . 52071 1 49 . LEU . 52071 1 50 . GLN . 52071 1 51 . ASP . 52071 1 52 . MET . 52071 1 53 . ILE . 52071 1 54 . ASN . 52071 1 55 . GLU . 52071 1 56 . VAL . 52071 1 57 . ASP . 52071 1 58 . ALA . 52071 1 59 . ASP . 52071 1 60 . GLY . 52071 1 61 . ASN . 52071 1 62 . GLY . 52071 1 63 . THR . 52071 1 64 . ILE . 52071 1 65 . ASP . 52071 1 66 . PHE . 52071 1 67 . PRO . 52071 1 68 . GLU . 52071 1 69 . PHE . 52071 1 70 . LEU . 52071 1 71 . ASN . 52071 1 72 . LEU . 52071 1 73 . MET . 52071 1 74 . ALA . 52071 1 75 . LYS . 52071 1 76 . LYS . 52071 1 77 . MET . 52071 1 78 . LYS . 52071 1 79 . ASP . 52071 1 80 . THR . 52071 1 81 . ASP . 52071 1 82 . SER . 52071 1 83 . GLU . 52071 1 84 . GLU . 52071 1 85 . GLU . 52071 1 86 . LEU . 52071 1 87 . LYS . 52071 1 88 . GLU . 52071 1 89 . ALA . 52071 1 90 . PHE . 52071 1 91 . ARG . 52071 1 92 . VAL . 52071 1 93 . PHE . 52071 1 94 . ASP . 52071 1 95 . LYS . 52071 1 96 . ASP . 52071 1 97 . GLN . 52071 1 98 . ASN . 52071 1 99 . GLY . 52071 1 100 . PHE . 52071 1 101 . ILE . 52071 1 102 . SER . 52071 1 103 . ALA . 52071 1 104 . ALA . 52071 1 105 . GLU . 52071 1 106 . LEU . 52071 1 107 . ARG . 52071 1 108 . HIS . 52071 1 109 . VAL . 52071 1 110 . MET . 52071 1 111 . THR . 52071 1 112 . ASN . 52071 1 113 . LEU . 52071 1 114 . GLY . 52071 1 115 . GLU . 52071 1 116 . LYS . 52071 1 117 . LEU . 52071 1 118 . THR . 52071 1 119 . ASP . 52071 1 120 . GLU . 52071 1 121 . GLU . 52071 1 122 . VAL . 52071 1 123 . GLU . 52071 1 124 . GLU . 52071 1 125 . MET . 52071 1 126 . ILE . 52071 1 127 . ARG . 52071 1 128 . GLU . 52071 1 129 . ALA . 52071 1 130 . ASP . 52071 1 131 . VAL . 52071 1 132 . ASP . 52071 1 133 . GLY . 52071 1 134 . ASP . 52071 1 135 . GLY . 52071 1 136 . GLN . 52071 1 137 . ILE . 52071 1 138 . ASN . 52071 1 139 . TYR . 52071 1 140 . GLU . 52071 1 141 . GLU . 52071 1 142 . PHE . 52071 1 143 . VAL . 52071 1 144 . LYS . 52071 1 145 . ILE . 52071 1 146 . MET . 52071 1 147 . MET . 52071 1 148 . ALA . 52071 1 149 . LYS . 52071 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 52071 1 . ALA 2 2 52071 1 . ASP 3 3 52071 1 . GLN 4 4 52071 1 . LEU 5 5 52071 1 . THR 6 6 52071 1 . ASP 7 7 52071 1 . GLU 8 8 52071 1 . GLN 9 9 52071 1 . ILE 10 10 52071 1 . SER 11 11 52071 1 . GLU 12 12 52071 1 . PHE 13 13 52071 1 . LYS 14 14 52071 1 . GLU 15 15 52071 1 . ALA 16 16 52071 1 . PHE 17 17 52071 1 . SER 18 18 52071 1 . LEU 19 19 52071 1 . PHE 20 20 52071 1 . ASP 21 21 52071 1 . LYS 22 22 52071 1 . ASP 23 23 52071 1 . GLY 24 24 52071 1 . ASP 25 25 52071 1 . GLY 26 26 52071 1 . CYS 27 27 52071 1 . ILE 28 28 52071 1 . THR 29 29 52071 1 . THR 30 30 52071 1 . LYS 31 31 52071 1 . GLU 32 32 52071 1 . LEU 33 33 52071 1 . GLY 34 34 52071 1 . THR 35 35 52071 1 . VAL 36 36 52071 1 . MET 37 37 52071 1 . ARG 38 38 52071 1 . SER 39 39 52071 1 . LEU 40 40 52071 1 . GLY 41 41 52071 1 . GLN 42 42 52071 1 . ASN 43 43 52071 1 . PRO 44 44 52071 1 . THR 45 45 52071 1 . GLU 46 46 52071 1 . ALA 47 47 52071 1 . GLU 48 48 52071 1 . LEU 49 49 52071 1 . GLN 50 50 52071 1 . ASP 51 51 52071 1 . MET 52 52 52071 1 . ILE 53 53 52071 1 . ASN 54 54 52071 1 . GLU 55 55 52071 1 . VAL 56 56 52071 1 . ASP 57 57 52071 1 . ALA 58 58 52071 1 . ASP 59 59 52071 1 . GLY 60 60 52071 1 . ASN 61 61 52071 1 . GLY 62 62 52071 1 . THR 63 63 52071 1 . ILE 64 64 52071 1 . ASP 65 65 52071 1 . PHE 66 66 52071 1 . PRO 67 67 52071 1 . GLU 68 68 52071 1 . PHE 69 69 52071 1 . LEU 70 70 52071 1 . ASN 71 71 52071 1 . LEU 72 72 52071 1 . MET 73 73 52071 1 . ALA 74 74 52071 1 . LYS 75 75 52071 1 . LYS 76 76 52071 1 . MET 77 77 52071 1 . LYS 78 78 52071 1 . ASP 79 79 52071 1 . THR 80 80 52071 1 . ASP 81 81 52071 1 . SER 82 82 52071 1 . GLU 83 83 52071 1 . GLU 84 84 52071 1 . GLU 85 85 52071 1 . LEU 86 86 52071 1 . LYS 87 87 52071 1 . GLU 88 88 52071 1 . ALA 89 89 52071 1 . PHE 90 90 52071 1 . ARG 91 91 52071 1 . VAL 92 92 52071 1 . PHE 93 93 52071 1 . ASP 94 94 52071 1 . LYS 95 95 52071 1 . ASP 96 96 52071 1 . GLN 97 97 52071 1 . ASN 98 98 52071 1 . GLY 99 99 52071 1 . PHE 100 100 52071 1 . ILE 101 101 52071 1 . SER 102 102 52071 1 . ALA 103 103 52071 1 . ALA 104 104 52071 1 . GLU 105 105 52071 1 . LEU 106 106 52071 1 . ARG 107 107 52071 1 . HIS 108 108 52071 1 . VAL 109 109 52071 1 . MET 110 110 52071 1 . THR 111 111 52071 1 . ASN 112 112 52071 1 . LEU 113 113 52071 1 . GLY 114 114 52071 1 . GLU 115 115 52071 1 . LYS 116 116 52071 1 . LEU 117 117 52071 1 . THR 118 118 52071 1 . ASP 119 119 52071 1 . GLU 120 120 52071 1 . GLU 121 121 52071 1 . VAL 122 122 52071 1 . GLU 123 123 52071 1 . GLU 124 124 52071 1 . MET 125 125 52071 1 . ILE 126 126 52071 1 . ARG 127 127 52071 1 . GLU 128 128 52071 1 . ALA 129 129 52071 1 . ASP 130 130 52071 1 . VAL 131 131 52071 1 . ASP 132 132 52071 1 . GLY 133 133 52071 1 . ASP 134 134 52071 1 . GLY 135 135 52071 1 . GLN 136 136 52071 1 . ILE 137 137 52071 1 . ASN 138 138 52071 1 . TYR 139 139 52071 1 . GLU 140 140 52071 1 . GLU 141 141 52071 1 . PHE 142 142 52071 1 . VAL 143 143 52071 1 . LYS 144 144 52071 1 . ILE 145 145 52071 1 . MET 146 146 52071 1 . MET 147 147 52071 1 . ALA 148 148 52071 1 . LYS 149 149 52071 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 52071 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 52071 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 52071 2 CA 'Three letter code' 52071 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 52071 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52071 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . '15N-13C AtCaM1 recombinantly produced in BL21(DE)3 escherichia coli cell strains' 52071 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52071 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . plasmid . . pET12b . . . 52071 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 52071 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 52071 CA InChI=1S/Ca/q+2 InChI InChI 1.03 52071 CA [Ca++] SMILES CACTVS 3.341 52071 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 52071 CA [Ca+2] SMILES ACDLabs 10.04 52071 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 52071 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52071 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 52071 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52071 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52071 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52071 _Sample.ID 1 _Sample.Name 'Calcium bound AtCaM1' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 50mM KCl, 50mM TRIS, 0.5mM DTT pH7.5' _Sample.Aggregate_sample_number 1 _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 'AtCaM1 Ca2+' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.6 . . mM . . . . 52071 1 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 52071 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 52071 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 52071 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 52071 _Sample_condition_list.ID 1 _Sample_condition_list.Name Buffer _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 . M 52071 1 pH 7.5 . pH 52071 1 pressure 1 . atm 52071 1 temperature 298.15 . K 52071 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52071 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details 'CcpNmr Analysis' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52071 1 'peak picking' . 52071 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52071 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 9.9 _Software.DOI . _Software.Details 'Version 9.9 Rev 2019.161.16.25 64-bit' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52071 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52071 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Bruker Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52071 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52071 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52071 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52071 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52071 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52071 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Ca2+_bound_AtCaM1 _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 TSP 'methyl protons' . . . . ppm 0 external indirect 0.251465757 . . . . . 52071 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 52071 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101336265 . . . . . 52071 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52071 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Ca2+_bound_AtCaM1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 52071 1 2 '3D HNCACB' . . . 52071 1 3 '3D HNCA' . . . 52071 1 4 '3D HN(CA)CO' . . . 52071 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52071 1 2 $software_2 . . 52071 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 ASP C C 13 173.032 0.000 . 1 . . . . . 3 ASP C . 52071 1 2 . 1 . 1 3 3 ASP CA C 13 51.986 0.022 . 1 . . . . . 3 ASP CA . 52071 1 3 . 1 . 1 3 3 ASP CB C 13 38.628 0.000 . 1 . . . . . 3 ASP CB . 52071 1 4 . 1 . 1 4 4 GLN H H 1 8.281 0.001 . 1 . . . . . 4 GLN H . 52071 1 5 . 1 . 1 4 4 GLN C C 13 173.034 0.010 . 1 . . . . . 4 GLN C . 52071 1 6 . 1 . 1 4 4 GLN CA C 13 52.818 0.028 . 1 . . . . . 4 GLN CA . 52071 1 7 . 1 . 1 4 4 GLN CB C 13 27.148 0.005 . 1 . . . . . 4 GLN CB . 52071 1 8 . 1 . 1 4 4 GLN N N 15 119.441 0.004 . 1 . . . . . 4 GLN N . 52071 1 9 . 1 . 1 5 5 LEU H H 1 8.247 0.001 . 1 . . . . . 5 LEU H . 52071 1 10 . 1 . 1 5 5 LEU C C 13 175.082 0.001 . 1 . . . . . 5 LEU C . 52071 1 11 . 1 . 1 5 5 LEU CA C 13 51.729 0.014 . 1 . . . . . 5 LEU CA . 52071 1 12 . 1 . 1 5 5 LEU CB C 13 40.713 0.004 . 1 . . . . . 5 LEU CB . 52071 1 13 . 1 . 1 5 5 LEU N N 15 123.075 0.004 . 1 . . . . . 5 LEU N . 52071 1 14 . 1 . 1 6 6 THR H H 1 8.730 0.001 . 1 . . . . . 6 THR H . 52071 1 15 . 1 . 1 6 6 THR C C 13 172.598 0.007 . 1 . . . . . 6 THR C . 52071 1 16 . 1 . 1 6 6 THR CA C 13 57.813 0.022 . 1 . . . . . 6 THR CA . 52071 1 17 . 1 . 1 6 6 THR CB C 13 68.460 0.016 . 1 . . . . . 6 THR CB . 52071 1 18 . 1 . 1 6 6 THR N N 15 113.180 0.008 . 1 . . . . . 6 THR N . 52071 1 19 . 1 . 1 7 7 ASP H H 1 8.885 0.001 . 1 . . . . . 7 ASP H . 52071 1 20 . 1 . 1 7 7 ASP C C 13 176.336 0.026 . 1 . . . . . 7 ASP C . 52071 1 21 . 1 . 1 7 7 ASP CA C 13 55.116 0.037 . 1 . . . . . 7 ASP CA . 52071 1 22 . 1 . 1 7 7 ASP CB C 13 37.290 0.020 . 1 . . . . . 7 ASP CB . 52071 1 23 . 1 . 1 7 7 ASP N N 15 120.923 0.010 . 1 . . . . . 7 ASP N . 52071 1 24 . 1 . 1 8 8 GLU H H 1 8.600 0.001 . 1 . . . . . 8 GLU H . 52071 1 25 . 1 . 1 8 8 GLU C C 13 176.411 0.000 . 1 . . . . . 8 GLU C . 52071 1 26 . 1 . 1 8 8 GLU CA C 13 57.343 0.022 . 1 . . . . . 8 GLU CA . 52071 1 27 . 1 . 1 8 8 GLU CB C 13 26.416 0.000 . 1 . . . . . 8 GLU CB . 52071 1 28 . 1 . 1 8 8 GLU N N 15 120.124 0.012 . 1 . . . . . 8 GLU N . 52071 1 29 . 1 . 1 9 9 GLN H H 1 7.722 0.001 . 1 . . . . . 9 GLN H . 52071 1 30 . 1 . 1 9 9 GLN C C 13 175.634 0.006 . 1 . . . . . 9 GLN C . 52071 1 31 . 1 . 1 9 9 GLN CA C 13 55.952 0.029 . 1 . . . . . 9 GLN CA . 52071 1 32 . 1 . 1 9 9 GLN CB C 13 26.641 0.082 . 1 . . . . . 9 GLN CB . 52071 1 33 . 1 . 1 9 9 GLN N N 15 120.284 0.005 . 1 . . . . . 9 GLN N . 52071 1 34 . 1 . 1 10 10 ILE H H 1 8.393 0.001 . 1 . . . . . 10 ILE H . 52071 1 35 . 1 . 1 10 10 ILE C C 13 175.402 0.000 . 1 . . . . . 10 ILE C . 52071 1 36 . 1 . 1 10 10 ILE CA C 13 63.617 0.017 . 1 . . . . . 10 ILE CA . 52071 1 37 . 1 . 1 10 10 ILE CB C 13 35.002 0.006 . 1 . . . . . 10 ILE CB . 52071 1 38 . 1 . 1 10 10 ILE N N 15 119.621 0.005 . 1 . . . . . 10 ILE N . 52071 1 39 . 1 . 1 11 11 SER H H 1 8.091 0.000 . 1 . . . . . 11 SER H . 52071 1 40 . 1 . 1 11 11 SER C C 13 174.632 0.000 . 1 . . . . . 11 SER C . 52071 1 41 . 1 . 1 11 11 SER CA C 13 59.633 0.014 . 1 . . . . . 11 SER CA . 52071 1 42 . 1 . 1 11 11 SER N N 15 114.803 0.004 . 1 . . . . . 11 SER N . 52071 1 43 . 1 . 1 12 12 GLU H H 1 7.807 0.001 . 1 . . . . . 12 GLU H . 52071 1 44 . 1 . 1 12 12 GLU C C 13 177.751 0.017 . 1 . . . . . 12 GLU C . 52071 1 45 . 1 . 1 12 12 GLU CA C 13 56.795 0.000 . 1 . . . . . 12 GLU CA . 52071 1 46 . 1 . 1 12 12 GLU CB C 13 26.502 0.000 . 1 . . . . . 12 GLU CB . 52071 1 47 . 1 . 1 12 12 GLU N N 15 122.519 0.006 . 1 . . . . . 12 GLU N . 52071 1 48 . 1 . 1 13 13 PHE H H 1 8.566 0.001 . 1 . . . . . 13 PHE H . 52071 1 49 . 1 . 1 13 13 PHE C C 13 175.871 0.010 . 1 . . . . . 13 PHE C . 52071 1 50 . 1 . 1 13 13 PHE CA C 13 56.800 0.040 . 1 . . . . . 13 PHE CA . 52071 1 51 . 1 . 1 13 13 PHE CB C 13 35.270 0.006 . 1 . . . . . 13 PHE CB . 52071 1 52 . 1 . 1 13 13 PHE N N 15 119.921 0.004 . 1 . . . . . 13 PHE N . 52071 1 53 . 1 . 1 14 14 LYS H H 1 9.096 0.001 . 1 . . . . . 14 LYS H . 52071 1 54 . 1 . 1 14 14 LYS C C 13 176.688 0.003 . 1 . . . . . 14 LYS C . 52071 1 55 . 1 . 1 14 14 LYS CA C 13 57.457 0.032 . 1 . . . . . 14 LYS CA . 52071 1 56 . 1 . 1 14 14 LYS CB C 13 29.209 0.003 . 1 . . . . . 14 LYS CB . 52071 1 57 . 1 . 1 14 14 LYS N N 15 123.631 0.003 . 1 . . . . . 14 LYS N . 52071 1 58 . 1 . 1 15 15 GLU H H 1 7.773 0.001 . 1 . . . . . 15 GLU H . 52071 1 59 . 1 . 1 15 15 GLU C C 13 176.670 0.003 . 1 . . . . . 15 GLU C . 52071 1 60 . 1 . 1 15 15 GLU CA C 13 56.648 0.040 . 1 . . . . . 15 GLU CA . 52071 1 61 . 1 . 1 15 15 GLU CB C 13 26.431 0.012 . 1 . . . . . 15 GLU CB . 52071 1 62 . 1 . 1 15 15 GLU N N 15 120.247 0.005 . 1 . . . . . 15 GLU N . 52071 1 63 . 1 . 1 16 16 ALA H H 1 7.956 0.002 . 1 . . . . . 16 ALA H . 52071 1 64 . 1 . 1 16 16 ALA C C 13 176.082 0.015 . 1 . . . . . 16 ALA C . 52071 1 65 . 1 . 1 16 16 ALA CA C 13 52.604 0.019 . 1 . . . . . 16 ALA CA . 52071 1 66 . 1 . 1 16 16 ALA CB C 13 15.345 0.008 . 1 . . . . . 16 ALA CB . 52071 1 67 . 1 . 1 16 16 ALA N N 15 122.510 0.007 . 1 . . . . . 16 ALA N . 52071 1 68 . 1 . 1 17 17 PHE H H 1 8.805 0.001 . 1 . . . . . 17 PHE H . 52071 1 69 . 1 . 1 17 17 PHE C C 13 174.144 0.004 . 1 . . . . . 17 PHE C . 52071 1 70 . 1 . 1 17 17 PHE CA C 13 59.426 0.016 . 1 . . . . . 17 PHE CA . 52071 1 71 . 1 . 1 17 17 PHE CB C 13 36.854 0.005 . 1 . . . . . 17 PHE CB . 52071 1 72 . 1 . 1 17 17 PHE N N 15 119.202 0.003 . 1 . . . . . 17 PHE N . 52071 1 73 . 1 . 1 18 18 SER H H 1 7.783 0.001 . 1 . . . . . 18 SER H . 52071 1 74 . 1 . 1 18 18 SER C C 13 172.716 0.000 . 1 . . . . . 18 SER C . 52071 1 75 . 1 . 1 18 18 SER CA C 13 58.727 0.003 . 1 . . . . . 18 SER CA . 52071 1 76 . 1 . 1 18 18 SER CB C 13 60.531 0.003 . 1 . . . . . 18 SER CB . 52071 1 77 . 1 . 1 18 18 SER N N 15 111.564 0.005 . 1 . . . . . 18 SER N . 52071 1 78 . 1 . 1 19 19 LEU H H 1 7.448 0.001 . 1 . . . . . 19 LEU H . 52071 1 79 . 1 . 1 19 19 LEU C C 13 175.651 0.008 . 1 . . . . . 19 LEU C . 52071 1 80 . 1 . 1 19 19 LEU CA C 13 54.500 0.030 . 1 . . . . . 19 LEU CA . 52071 1 81 . 1 . 1 19 19 LEU CB C 13 38.918 0.020 . 1 . . . . . 19 LEU CB . 52071 1 82 . 1 . 1 19 19 LEU N N 15 121.045 0.007 . 1 . . . . . 19 LEU N . 52071 1 83 . 1 . 1 20 20 PHE H H 1 7.501 0.003 . 1 . . . . . 20 PHE H . 52071 1 84 . 1 . 1 20 20 PHE C C 13 173.914 0.005 . 1 . . . . . 20 PHE C . 52071 1 85 . 1 . 1 20 20 PHE CA C 13 56.727 0.042 . 1 . . . . . 20 PHE CA . 52071 1 86 . 1 . 1 20 20 PHE CB C 13 37.481 0.024 . 1 . . . . . 20 PHE CB . 52071 1 87 . 1 . 1 20 20 PHE N N 15 115.130 0.006 . 1 . . . . . 20 PHE N . 52071 1 88 . 1 . 1 21 21 ASP H H 1 7.715 0.001 . 1 . . . . . 21 ASP H . 52071 1 89 . 1 . 1 21 21 ASP C C 13 174.596 0.011 . 1 . . . . . 21 ASP C . 52071 1 90 . 1 . 1 21 21 ASP CA C 13 49.769 0.012 . 1 . . . . . 21 ASP CA . 52071 1 91 . 1 . 1 21 21 ASP CB C 13 35.868 0.000 . 1 . . . . . 21 ASP CB . 52071 1 92 . 1 . 1 21 21 ASP N N 15 118.854 0.010 . 1 . . . . . 21 ASP N . 52071 1 93 . 1 . 1 22 22 LYS H H 1 7.605 0.001 . 1 . . . . . 22 LYS H . 52071 1 94 . 1 . 1 22 22 LYS C C 13 175.286 0.002 . 1 . . . . . 22 LYS C . 52071 1 95 . 1 . 1 22 22 LYS CA C 13 56.026 0.012 . 1 . . . . . 22 LYS CA . 52071 1 96 . 1 . 1 22 22 LYS CB C 13 30.002 0.006 . 1 . . . . . 22 LYS CB . 52071 1 97 . 1 . 1 22 22 LYS N N 15 124.546 0.006 . 1 . . . . . 22 LYS N . 52071 1 98 . 1 . 1 23 23 ASP H H 1 7.966 0.002 . 1 . . . . . 23 ASP H . 52071 1 99 . 1 . 1 23 23 ASP C C 13 174.901 0.007 . 1 . . . . . 23 ASP C . 52071 1 100 . 1 . 1 23 23 ASP CA C 13 50.006 0.015 . 1 . . . . . 23 ASP CA . 52071 1 101 . 1 . 1 23 23 ASP CB C 13 36.780 0.001 . 1 . . . . . 23 ASP CB . 52071 1 102 . 1 . 1 23 23 ASP N N 15 113.713 0.003 . 1 . . . . . 23 ASP N . 52071 1 103 . 1 . 1 24 24 GLY H H 1 7.596 0.001 . 1 . . . . . 24 GLY H . 52071 1 104 . 1 . 1 24 24 GLY C C 13 172.364 0.001 . 1 . . . . . 24 GLY C . 52071 1 105 . 1 . 1 24 24 GLY CA C 13 44.551 0.011 . 1 . . . . . 24 GLY CA . 52071 1 106 . 1 . 1 24 24 GLY N N 15 109.083 0.007 . 1 . . . . . 24 GLY N . 52071 1 107 . 1 . 1 25 25 ASP H H 1 8.217 0.003 . 1 . . . . . 25 ASP H . 52071 1 108 . 1 . 1 25 25 ASP C C 13 174.854 0.006 . 1 . . . . . 25 ASP C . 52071 1 109 . 1 . 1 25 25 ASP CA C 13 51.006 0.048 . 1 . . . . . 25 ASP CA . 52071 1 110 . 1 . 1 25 25 ASP CB C 13 37.762 0.022 . 1 . . . . . 25 ASP CB . 52071 1 111 . 1 . 1 25 25 ASP N N 15 120.143 0.021 . 1 . . . . . 25 ASP N . 52071 1 112 . 1 . 1 26 26 GLY H H 1 10.556 0.001 . 1 . . . . . 26 GLY H . 52071 1 113 . 1 . 1 26 26 GLY C C 13 171.195 0.005 . 1 . . . . . 26 GLY C . 52071 1 114 . 1 . 1 26 26 GLY CA C 13 42.880 0.009 . 1 . . . . . 26 GLY CA . 52071 1 115 . 1 . 1 26 26 GLY N N 15 113.036 0.004 . 1 . . . . . 26 GLY N . 52071 1 116 . 1 . 1 27 27 CYS H H 1 8.005 0.001 . 1 . . . . . 27 CYS H . 52071 1 117 . 1 . 1 27 27 CYS C C 13 170.000 0.004 . 1 . . . . . 27 CYS C . 52071 1 118 . 1 . 1 27 27 CYS CA C 13 53.061 0.040 . 1 . . . . . 27 CYS CA . 52071 1 119 . 1 . 1 27 27 CYS CB C 13 28.786 0.003 . 1 . . . . . 27 CYS CB . 52071 1 120 . 1 . 1 27 27 CYS N N 15 116.772 0.006 . 1 . . . . . 27 CYS N . 52071 1 121 . 1 . 1 28 28 ILE H H 1 9.836 0.001 . 1 . . . . . 28 ILE H . 52071 1 122 . 1 . 1 28 28 ILE C C 13 173.327 0.006 . 1 . . . . . 28 ILE C . 52071 1 123 . 1 . 1 28 28 ILE CA C 13 57.260 0.001 . 1 . . . . . 28 ILE CA . 52071 1 124 . 1 . 1 28 28 ILE CB C 13 36.687 0.035 . 1 . . . . . 28 ILE CB . 52071 1 125 . 1 . 1 28 28 ILE N N 15 126.091 0.006 . 1 . . . . . 28 ILE N . 52071 1 126 . 1 . 1 29 29 THR H H 1 8.441 0.001 . 1 . . . . . 29 THR H . 52071 1 127 . 1 . 1 29 29 THR C C 13 173.706 0.003 . 1 . . . . . 29 THR C . 52071 1 128 . 1 . 1 29 29 THR CA C 13 57.027 0.032 . 1 . . . . . 29 THR CA . 52071 1 129 . 1 . 1 29 29 THR CB C 13 69.741 0.032 . 1 . . . . . 29 THR CB . 52071 1 130 . 1 . 1 29 29 THR N N 15 116.852 0.009 . 1 . . . . . 29 THR N . 52071 1 131 . 1 . 1 30 30 THR H H 1 8.933 0.002 . 1 . . . . . 30 THR H . 52071 1 132 . 1 . 1 30 30 THR C C 13 174.230 0.000 . 1 . . . . . 30 THR C . 52071 1 133 . 1 . 1 30 30 THR CA C 13 63.961 0.005 . 1 . . . . . 30 THR CA . 52071 1 134 . 1 . 1 30 30 THR CB C 13 65.176 0.010 . 1 . . . . . 30 THR CB . 52071 1 135 . 1 . 1 30 30 THR N N 15 113.075 0.006 . 1 . . . . . 30 THR N . 52071 1 136 . 1 . 1 31 31 LYS H H 1 7.640 0.001 . 1 . . . . . 31 LYS H . 52071 1 137 . 1 . 1 31 31 LYS C C 13 177.249 0.004 . 1 . . . . . 31 LYS C . 52071 1 138 . 1 . 1 31 31 LYS CA C 13 56.525 0.029 . 1 . . . . . 31 LYS CA . 52071 1 139 . 1 . 1 31 31 LYS CB C 13 29.812 0.028 . 1 . . . . . 31 LYS CB . 52071 1 140 . 1 . 1 31 31 LYS N N 15 120.397 0.006 . 1 . . . . . 31 LYS N . 52071 1 141 . 1 . 1 32 32 GLU H H 1 7.573 0.002 . 1 . . . . . 32 GLU H . 52071 1 142 . 1 . 1 32 32 GLU C C 13 176.474 0.006 . 1 . . . . . 32 GLU C . 52071 1 143 . 1 . 1 32 32 GLU CA C 13 56.315 0.031 . 1 . . . . . 32 GLU CA . 52071 1 144 . 1 . 1 32 32 GLU CB C 13 27.407 0.004 . 1 . . . . . 32 GLU CB . 52071 1 145 . 1 . 1 32 32 GLU N N 15 120.823 0.009 . 1 . . . . . 32 GLU N . 52071 1 146 . 1 . 1 33 33 LEU H H 1 8.769 0.001 . 1 . . . . . 33 LEU H . 52071 1 147 . 1 . 1 33 33 LEU C C 13 176.122 0.013 . 1 . . . . . 33 LEU C . 52071 1 148 . 1 . 1 33 33 LEU CA C 13 55.011 0.035 . 1 . . . . . 33 LEU CA . 52071 1 149 . 1 . 1 33 33 LEU CB C 13 39.541 0.012 . 1 . . . . . 33 LEU CB . 52071 1 150 . 1 . 1 33 33 LEU N N 15 120.986 0.006 . 1 . . . . . 33 LEU N . 52071 1 151 . 1 . 1 34 34 GLY H H 1 8.440 0.002 . 1 . . . . . 34 GLY H . 52071 1 152 . 1 . 1 34 34 GLY C C 13 172.469 0.004 . 1 . . . . . 34 GLY C . 52071 1 153 . 1 . 1 34 34 GLY CA C 13 45.778 0.022 . 1 . . . . . 34 GLY CA . 52071 1 154 . 1 . 1 34 34 GLY N N 15 106.097 0.008 . 1 . . . . . 34 GLY N . 52071 1 155 . 1 . 1 35 35 THR H H 1 7.662 0.002 . 1 . . . . . 35 THR H . 52071 1 156 . 1 . 1 35 35 THR C C 13 174.403 0.016 . 1 . . . . . 35 THR C . 52071 1 157 . 1 . 1 35 35 THR CA C 13 64.029 0.054 . 1 . . . . . 35 THR CA . 52071 1 158 . 1 . 1 35 35 THR CB C 13 65.910 0.014 . 1 . . . . . 35 THR CB . 52071 1 159 . 1 . 1 35 35 THR N N 15 117.537 0.006 . 1 . . . . . 35 THR N . 52071 1 160 . 1 . 1 36 36 VAL H H 1 7.492 0.001 . 1 . . . . . 36 VAL H . 52071 1 161 . 1 . 1 36 36 VAL C C 13 176.490 0.013 . 1 . . . . . 36 VAL C . 52071 1 162 . 1 . 1 36 36 VAL CA C 13 63.243 0.028 . 1 . . . . . 36 VAL CA . 52071 1 163 . 1 . 1 36 36 VAL CB C 13 28.558 0.000 . 1 . . . . . 36 VAL CB . 52071 1 164 . 1 . 1 36 36 VAL N N 15 122.097 0.013 . 1 . . . . . 36 VAL N . 52071 1 165 . 1 . 1 37 37 MET H H 1 8.350 0.001 . 1 . . . . . 37 MET H . 52071 1 166 . 1 . 1 37 37 MET C C 13 176.496 0.008 . 1 . . . . . 37 MET C . 52071 1 167 . 1 . 1 37 37 MET CA C 13 55.885 0.020 . 1 . . . . . 37 MET CA . 52071 1 168 . 1 . 1 37 37 MET CB C 13 28.269 0.044 . 1 . . . . . 37 MET CB . 52071 1 169 . 1 . 1 37 37 MET N N 15 118.092 0.005 . 1 . . . . . 37 MET N . 52071 1 170 . 1 . 1 38 38 ARG H H 1 8.397 0.001 . 1 . . . . . 38 ARG H . 52071 1 171 . 1 . 1 38 38 ARG C C 13 178.553 0.002 . 1 . . . . . 38 ARG C . 52071 1 172 . 1 . 1 38 38 ARG CA C 13 56.471 0.022 . 1 . . . . . 38 ARG CA . 52071 1 173 . 1 . 1 38 38 ARG CB C 13 27.371 0.026 . 1 . . . . . 38 ARG CB . 52071 1 174 . 1 . 1 38 38 ARG N N 15 119.409 0.008 . 1 . . . . . 38 ARG N . 52071 1 175 . 1 . 1 39 39 SER H H 1 7.826 0.001 . 1 . . . . . 39 SER H . 52071 1 176 . 1 . 1 39 39 SER C C 13 172.228 0.000 . 1 . . . . . 39 SER C . 52071 1 177 . 1 . 1 39 39 SER CA C 13 58.895 0.023 . 1 . . . . . 39 SER CA . 52071 1 178 . 1 . 1 39 39 SER CB C 13 60.014 0.009 . 1 . . . . . 39 SER CB . 52071 1 179 . 1 . 1 39 39 SER N N 15 118.933 0.021 . 1 . . . . . 39 SER N . 52071 1 180 . 1 . 1 40 40 LEU H H 1 7.279 0.001 . 1 . . . . . 40 LEU H . 52071 1 181 . 1 . 1 40 40 LEU C C 13 174.819 0.003 . 1 . . . . . 40 LEU C . 52071 1 182 . 1 . 1 40 40 LEU CA C 13 51.818 0.013 . 1 . . . . . 40 LEU CA . 52071 1 183 . 1 . 1 40 40 LEU CB C 13 39.257 0.015 . 1 . . . . . 40 LEU CB . 52071 1 184 . 1 . 1 40 40 LEU N N 15 120.704 0.007 . 1 . . . . . 40 LEU N . 52071 1 185 . 1 . 1 41 41 GLY H H 1 7.809 0.003 . 1 . . . . . 41 GLY H . 52071 1 186 . 1 . 1 41 41 GLY C C 13 171.640 0.005 . 1 . . . . . 41 GLY C . 52071 1 187 . 1 . 1 41 41 GLY CA C 13 42.885 0.018 . 1 . . . . . 41 GLY CA . 52071 1 188 . 1 . 1 41 41 GLY N N 15 106.983 0.011 . 1 . . . . . 41 GLY N . 52071 1 189 . 1 . 1 42 42 GLN H H 1 7.735 0.002 . 1 . . . . . 42 GLN H . 52071 1 190 . 1 . 1 42 42 GLN C C 13 171.344 0.001 . 1 . . . . . 42 GLN C . 52071 1 191 . 1 . 1 42 42 GLN CA C 13 51.757 0.003 . 1 . . . . . 42 GLN CA . 52071 1 192 . 1 . 1 42 42 GLN CB C 13 28.009 0.089 . 1 . . . . . 42 GLN CB . 52071 1 193 . 1 . 1 42 42 GLN N N 15 118.455 0.005 . 1 . . . . . 42 GLN N . 52071 1 194 . 1 . 1 43 43 ASN H H 1 8.647 0.003 . 1 . . . . . 43 ASN H . 52071 1 195 . 1 . 1 43 43 ASN C C 13 169.197 0.000 . 1 . . . . . 43 ASN C . 52071 1 196 . 1 . 1 43 43 ASN CA C 13 48.557 0.000 . 1 . . . . . 43 ASN CA . 52071 1 197 . 1 . 1 43 43 ASN CB C 13 36.465 0.000 . 1 . . . . . 43 ASN CB . 52071 1 198 . 1 . 1 43 43 ASN N N 15 116.264 0.023 . 1 . . . . . 43 ASN N . 52071 1 199 . 1 . 1 44 44 PRO C C 13 175.026 0.002 . 1 . . . . . 44 PRO C . 52071 1 200 . 1 . 1 44 44 PRO CA C 13 59.634 0.023 . 1 . . . . . 44 PRO CA . 52071 1 201 . 1 . 1 44 44 PRO CB C 13 29.303 0.000 . 1 . . . . . 44 PRO CB . 52071 1 202 . 1 . 1 45 45 THR H H 1 8.695 0.001 . 1 . . . . . 45 THR H . 52071 1 203 . 1 . 1 45 45 THR C C 13 172.415 0.002 . 1 . . . . . 45 THR C . 52071 1 204 . 1 . 1 45 45 THR CA C 13 57.835 0.013 . 1 . . . . . 45 THR CA . 52071 1 205 . 1 . 1 45 45 THR CB C 13 68.418 0.001 . 1 . . . . . 45 THR CB . 52071 1 206 . 1 . 1 45 45 THR N N 15 112.930 0.006 . 1 . . . . . 45 THR N . 52071 1 207 . 1 . 1 46 46 GLU H H 1 8.753 0.001 . 1 . . . . . 46 GLU H . 52071 1 208 . 1 . 1 46 46 GLU C C 13 176.234 0.013 . 1 . . . . . 46 GLU C . 52071 1 209 . 1 . 1 46 46 GLU CA C 13 57.434 0.044 . 1 . . . . . 46 GLU CA . 52071 1 210 . 1 . 1 46 46 GLU CB C 13 26.277 0.010 . 1 . . . . . 46 GLU CB . 52071 1 211 . 1 . 1 46 46 GLU N N 15 120.642 0.004 . 1 . . . . . 46 GLU N . 52071 1 212 . 1 . 1 47 47 ALA H H 1 8.219 0.001 . 1 . . . . . 47 ALA H . 52071 1 213 . 1 . 1 47 47 ALA C C 13 177.489 0.012 . 1 . . . . . 47 ALA C . 52071 1 214 . 1 . 1 47 47 ALA CA C 13 52.347 0.010 . 1 . . . . . 47 ALA CA . 52071 1 215 . 1 . 1 47 47 ALA CB C 13 15.456 0.002 . 1 . . . . . 47 ALA CB . 52071 1 216 . 1 . 1 47 47 ALA N N 15 120.863 0.004 . 1 . . . . . 47 ALA N . 52071 1 217 . 1 . 1 48 48 GLU H H 1 7.617 0.001 . 1 . . . . . 48 GLU H . 52071 1 218 . 1 . 1 48 48 GLU C C 13 177.556 0.000 . 1 . . . . . 48 GLU C . 52071 1 219 . 1 . 1 48 48 GLU CA C 13 56.287 0.024 . 1 . . . . . 48 GLU CA . 52071 1 220 . 1 . 1 48 48 GLU CB C 13 27.141 0.019 . 1 . . . . . 48 GLU CB . 52071 1 221 . 1 . 1 48 48 GLU N N 15 118.549 0.008 . 1 . . . . . 48 GLU N . 52071 1 222 . 1 . 1 49 49 LEU H H 1 8.161 0.001 . 1 . . . . . 49 LEU H . 52071 1 223 . 1 . 1 49 49 LEU C C 13 175.683 0.006 . 1 . . . . . 49 LEU C . 52071 1 224 . 1 . 1 49 49 LEU CA C 13 55.245 0.007 . 1 . . . . . 49 LEU CA . 52071 1 225 . 1 . 1 49 49 LEU CB C 13 39.635 0.007 . 1 . . . . . 49 LEU CB . 52071 1 226 . 1 . 1 49 49 LEU N N 15 120.659 0.003 . 1 . . . . . 49 LEU N . 52071 1 227 . 1 . 1 50 50 GLN H H 1 8.073 0.001 . 1 . . . . . 50 GLN H . 52071 1 228 . 1 . 1 50 50 GLN C C 13 175.740 0.010 . 1 . . . . . 50 GLN C . 52071 1 229 . 1 . 1 50 50 GLN CA C 13 55.812 0.031 . 1 . . . . . 50 GLN CA . 52071 1 230 . 1 . 1 50 50 GLN CB C 13 25.514 0.003 . 1 . . . . . 50 GLN CB . 52071 1 231 . 1 . 1 50 50 GLN N N 15 118.225 0.008 . 1 . . . . . 50 GLN N . 52071 1 232 . 1 . 1 51 51 ASP H H 1 8.007 0.001 . 1 . . . . . 51 ASP H . 52071 1 233 . 1 . 1 51 51 ASP C C 13 175.983 0.013 . 1 . . . . . 51 ASP C . 52071 1 234 . 1 . 1 51 51 ASP CA C 13 54.842 0.044 . 1 . . . . . 51 ASP CA . 52071 1 235 . 1 . 1 51 51 ASP CB C 13 37.533 0.004 . 1 . . . . . 51 ASP CB . 52071 1 236 . 1 . 1 51 51 ASP N N 15 119.698 0.004 . 1 . . . . . 51 ASP N . 52071 1 237 . 1 . 1 52 52 MET H H 1 7.787 0.001 . 1 . . . . . 52 MET H . 52071 1 238 . 1 . 1 52 52 MET C C 13 175.631 0.005 . 1 . . . . . 52 MET C . 52071 1 239 . 1 . 1 52 52 MET CA C 13 56.750 0.033 . 1 . . . . . 52 MET CA . 52071 1 240 . 1 . 1 52 52 MET CB C 13 30.672 0.002 . 1 . . . . . 52 MET CB . 52071 1 241 . 1 . 1 52 52 MET N N 15 119.510 0.012 . 1 . . . . . 52 MET N . 52071 1 242 . 1 . 1 53 53 ILE H H 1 7.607 0.001 . 1 . . . . . 53 ILE H . 52071 1 243 . 1 . 1 53 53 ILE C C 13 175.027 0.001 . 1 . . . . . 53 ILE C . 52071 1 244 . 1 . 1 53 53 ILE CA C 13 62.377 0.031 . 1 . . . . . 53 ILE CA . 52071 1 245 . 1 . 1 53 53 ILE CB C 13 34.673 0.000 . 1 . . . . . 53 ILE CB . 52071 1 246 . 1 . 1 53 53 ILE N N 15 117.464 0.006 . 1 . . . . . 53 ILE N . 52071 1 247 . 1 . 1 54 54 ASN H H 1 8.395 0.002 . 1 . . . . . 54 ASN H . 52071 1 248 . 1 . 1 54 54 ASN C C 13 174.791 0.009 . 1 . . . . . 54 ASN C . 52071 1 249 . 1 . 1 54 54 ASN CA C 13 53.205 0.037 . 1 . . . . . 54 ASN CA . 52071 1 250 . 1 . 1 54 54 ASN CB C 13 35.241 0.013 . 1 . . . . . 54 ASN CB . 52071 1 251 . 1 . 1 54 54 ASN N N 15 117.036 0.004 . 1 . . . . . 54 ASN N . 52071 1 252 . 1 . 1 55 55 GLU H H 1 7.553 0.001 . 1 . . . . . 55 GLU H . 52071 1 253 . 1 . 1 55 55 GLU C C 13 175.186 0.003 . 1 . . . . . 55 GLU C . 52071 1 254 . 1 . 1 55 55 GLU CA C 13 56.355 0.019 . 1 . . . . . 55 GLU CA . 52071 1 255 . 1 . 1 55 55 GLU CB C 13 27.666 0.018 . 1 . . . . . 55 GLU CB . 52071 1 256 . 1 . 1 55 55 GLU N N 15 116.825 0.008 . 1 . . . . . 55 GLU N . 52071 1 257 . 1 . 1 56 56 VAL H H 1 7.095 0.001 . 1 . . . . . 56 VAL H . 52071 1 258 . 1 . 1 56 56 VAL C C 13 173.246 0.004 . 1 . . . . . 56 VAL C . 52071 1 259 . 1 . 1 56 56 VAL CA C 13 57.808 0.009 . 1 . . . . . 56 VAL CA . 52071 1 260 . 1 . 1 56 56 VAL CB C 13 29.907 0.024 . 1 . . . . . 56 VAL CB . 52071 1 261 . 1 . 1 56 56 VAL N N 15 106.532 0.010 . 1 . . . . . 56 VAL N . 52071 1 262 . 1 . 1 57 57 ASP H H 1 7.593 0.001 . 1 . . . . . 57 ASP H . 52071 1 263 . 1 . 1 57 57 ASP C C 13 173.743 0.001 . 1 . . . . . 57 ASP C . 52071 1 264 . 1 . 1 57 57 ASP CA C 13 50.995 0.041 . 1 . . . . . 57 ASP CA . 52071 1 265 . 1 . 1 57 57 ASP CB C 13 37.073 0.005 . 1 . . . . . 57 ASP CB . 52071 1 266 . 1 . 1 57 57 ASP N N 15 122.436 0.007 . 1 . . . . . 57 ASP N . 52071 1 267 . 1 . 1 58 58 ALA H H 1 8.457 0.001 . 1 . . . . . 58 ALA H . 52071 1 268 . 1 . 1 58 58 ALA C C 13 175.862 0.010 . 1 . . . . . 58 ALA C . 52071 1 269 . 1 . 1 58 58 ALA CA C 13 51.735 0.016 . 1 . . . . . 58 ALA CA . 52071 1 270 . 1 . 1 58 58 ALA CB C 13 16.627 0.011 . 1 . . . . . 58 ALA CB . 52071 1 271 . 1 . 1 58 58 ALA N N 15 131.910 0.003 . 1 . . . . . 58 ALA N . 52071 1 272 . 1 . 1 59 59 ASP H H 1 8.001 0.001 . 1 . . . . . 59 ASP H . 52071 1 273 . 1 . 1 59 59 ASP C C 13 175.041 0.002 . 1 . . . . . 59 ASP C . 52071 1 274 . 1 . 1 59 59 ASP CA C 13 49.819 0.027 . 1 . . . . . 59 ASP CA . 52071 1 275 . 1 . 1 59 59 ASP CB C 13 36.890 0.001 . 1 . . . . . 59 ASP CB . 52071 1 276 . 1 . 1 59 59 ASP N N 15 113.350 0.007 . 1 . . . . . 59 ASP N . 52071 1 277 . 1 . 1 60 60 GLY H H 1 7.490 0.002 . 1 . . . . . 60 GLY H . 52071 1 278 . 1 . 1 60 60 GLY C C 13 172.178 0.003 . 1 . . . . . 60 GLY C . 52071 1 279 . 1 . 1 60 60 GLY CA C 13 44.488 0.019 . 1 . . . . . 60 GLY CA . 52071 1 280 . 1 . 1 60 60 GLY N N 15 108.182 0.013 . 1 . . . . . 60 GLY N . 52071 1 281 . 1 . 1 61 61 ASN H H 1 7.940 0.002 . 1 . . . . . 61 ASN H . 52071 1 282 . 1 . 1 61 61 ASN C C 13 174.147 0.006 . 1 . . . . . 61 ASN C . 52071 1 283 . 1 . 1 61 61 ASN CA C 13 49.798 0.011 . 1 . . . . . 61 ASN CA . 52071 1 284 . 1 . 1 61 61 ASN CB C 13 35.123 0.036 . 1 . . . . . 61 ASN CB . 52071 1 285 . 1 . 1 61 61 ASN N N 15 118.192 0.011 . 1 . . . . . 61 ASN N . 52071 1 286 . 1 . 1 62 62 GLY H H 1 10.598 0.002 . 1 . . . . . 62 GLY H . 52071 1 287 . 1 . 1 62 62 GLY C C 13 170.484 0.004 . 1 . . . . . 62 GLY C . 52071 1 288 . 1 . 1 62 62 GLY CA C 13 42.995 0.008 . 1 . . . . . 62 GLY CA . 52071 1 289 . 1 . 1 62 62 GLY N N 15 113.663 0.002 . 1 . . . . . 62 GLY N . 52071 1 290 . 1 . 1 63 63 THR H H 1 7.559 0.001 . 1 . . . . . 63 THR H . 52071 1 291 . 1 . 1 63 63 THR C C 13 170.539 0.005 . 1 . . . . . 63 THR C . 52071 1 292 . 1 . 1 63 63 THR CA C 13 56.674 0.038 . 1 . . . . . 63 THR CA . 52071 1 293 . 1 . 1 63 63 THR CB C 13 69.830 0.022 . 1 . . . . . 63 THR CB . 52071 1 294 . 1 . 1 63 63 THR N N 15 108.701 0.005 . 1 . . . . . 63 THR N . 52071 1 295 . 1 . 1 64 64 ILE H H 1 8.930 0.004 . 1 . . . . . 64 ILE H . 52071 1 296 . 1 . 1 64 64 ILE C C 13 172.976 0.007 . 1 . . . . . 64 ILE C . 52071 1 297 . 1 . 1 64 64 ILE CA C 13 56.770 0.055 . 1 . . . . . 64 ILE CA . 52071 1 298 . 1 . 1 64 64 ILE CB C 13 37.071 0.045 . 1 . . . . . 64 ILE CB . 52071 1 299 . 1 . 1 64 64 ILE N N 15 123.170 0.046 . 1 . . . . . 64 ILE N . 52071 1 300 . 1 . 1 65 65 ASP H H 1 8.597 0.002 . 1 . . . . . 65 ASP H . 52071 1 301 . 1 . 1 65 65 ASP C C 13 173.444 0.003 . 1 . . . . . 65 ASP C . 52071 1 302 . 1 . 1 65 65 ASP CA C 13 49.337 0.033 . 1 . . . . . 65 ASP CA . 52071 1 303 . 1 . 1 65 65 ASP CB C 13 38.932 0.001 . 1 . . . . . 65 ASP CB . 52071 1 304 . 1 . 1 65 65 ASP N N 15 128.220 0.011 . 1 . . . . . 65 ASP N . 52071 1 305 . 1 . 1 66 66 PHE H H 1 8.632 0.002 . 1 . . . . . 66 PHE H . 52071 1 306 . 1 . 1 66 66 PHE C C 13 170.714 0.000 . 1 . . . . . 66 PHE C . 52071 1 307 . 1 . 1 66 66 PHE CA C 13 61.036 0.018 . 1 . . . . . 66 PHE CA . 52071 1 308 . 1 . 1 66 66 PHE CB C 13 33.226 0.000 . 1 . . . . . 66 PHE CB . 52071 1 309 . 1 . 1 66 66 PHE N N 15 117.751 0.005 . 1 . . . . . 66 PHE N . 52071 1 310 . 1 . 1 67 67 PRO C C 13 177.592 0.023 . 1 . . . . . 67 PRO C . 52071 1 311 . 1 . 1 67 67 PRO CA C 13 63.895 0.000 . 1 . . . . . 67 PRO CA . 52071 1 312 . 1 . 1 68 68 GLU H H 1 7.978 0.001 . 1 . . . . . 68 GLU H . 52071 1 313 . 1 . 1 68 68 GLU C C 13 176.006 0.001 . 1 . . . . . 68 GLU C . 52071 1 314 . 1 . 1 68 68 GLU CA C 13 56.539 0.027 . 1 . . . . . 68 GLU CA . 52071 1 315 . 1 . 1 68 68 GLU CB C 13 27.059 0.000 . 1 . . . . . 68 GLU CB . 52071 1 316 . 1 . 1 68 68 GLU N N 15 117.486 0.006 . 1 . . . . . 68 GLU N . 52071 1 317 . 1 . 1 69 69 PHE H H 1 8.916 0.001 . 1 . . . . . 69 PHE H . 52071 1 318 . 1 . 1 69 69 PHE C C 13 174.331 0.010 . 1 . . . . . 69 PHE C . 52071 1 319 . 1 . 1 69 69 PHE CA C 13 58.528 0.037 . 1 . . . . . 69 PHE CA . 52071 1 320 . 1 . 1 69 69 PHE CB C 13 37.143 0.000 . 1 . . . . . 69 PHE CB . 52071 1 321 . 1 . 1 69 69 PHE N N 15 122.938 0.007 . 1 . . . . . 69 PHE N . 52071 1 322 . 1 . 1 70 70 LEU H H 1 8.155 0.002 . 1 . . . . . 70 LEU H . 52071 1 323 . 1 . 1 70 70 LEU C C 13 176.438 0.011 . 1 . . . . . 70 LEU C . 52071 1 324 . 1 . 1 70 70 LEU CA C 13 55.053 0.040 . 1 . . . . . 70 LEU CA . 52071 1 325 . 1 . 1 70 70 LEU CB C 13 38.197 0.002 . 1 . . . . . 70 LEU CB . 52071 1 326 . 1 . 1 70 70 LEU N N 15 118.606 0.008 . 1 . . . . . 70 LEU N . 52071 1 327 . 1 . 1 71 71 ASN H H 1 7.106 0.002 . 1 . . . . . 71 ASN H . 52071 1 328 . 1 . 1 71 71 ASN C C 13 174.784 0.008 . 1 . . . . . 71 ASN C . 52071 1 329 . 1 . 1 71 71 ASN CA C 13 52.919 0.062 . 1 . . . . . 71 ASN CA . 52071 1 330 . 1 . 1 71 71 ASN CB C 13 35.035 0.002 . 1 . . . . . 71 ASN CB . 52071 1 331 . 1 . 1 71 71 ASN N N 15 116.621 0.004 . 1 . . . . . 71 ASN N . 52071 1 332 . 1 . 1 72 72 LEU H H 1 7.890 0.001 . 1 . . . . . 72 LEU H . 52071 1 333 . 1 . 1 72 72 LEU C C 13 175.854 0.014 . 1 . . . . . 72 LEU C . 52071 1 334 . 1 . 1 72 72 LEU CA C 13 55.452 0.008 . 1 . . . . . 72 LEU CA . 52071 1 335 . 1 . 1 72 72 LEU CB C 13 39.235 0.015 . 1 . . . . . 72 LEU CB . 52071 1 336 . 1 . 1 72 72 LEU N N 15 122.464 0.008 . 1 . . . . . 72 LEU N . 52071 1 337 . 1 . 1 73 73 MET H H 1 8.012 0.001 . 1 . . . . . 73 MET H . 52071 1 338 . 1 . 1 73 73 MET C C 13 175.829 0.008 . 1 . . . . . 73 MET C . 52071 1 339 . 1 . 1 73 73 MET CA C 13 53.080 0.072 . 1 . . . . . 73 MET CA . 52071 1 340 . 1 . 1 73 73 MET CB C 13 28.737 0.015 . 1 . . . . . 73 MET CB . 52071 1 341 . 1 . 1 73 73 MET N N 15 116.126 0.018 . 1 . . . . . 73 MET N . 52071 1 342 . 1 . 1 74 74 ALA H H 1 7.882 0.001 . 1 . . . . . 74 ALA H . 52071 1 343 . 1 . 1 74 74 ALA C C 13 176.885 0.009 . 1 . . . . . 74 ALA C . 52071 1 344 . 1 . 1 74 74 ALA CA C 13 51.846 0.011 . 1 . . . . . 74 ALA CA . 52071 1 345 . 1 . 1 74 74 ALA CB C 13 15.553 0.008 . 1 . . . . . 74 ALA CB . 52071 1 346 . 1 . 1 74 74 ALA N N 15 121.563 0.008 . 1 . . . . . 74 ALA N . 52071 1 347 . 1 . 1 75 75 LYS H H 1 7.434 0.001 . 1 . . . . . 75 LYS H . 52071 1 348 . 1 . 1 75 75 LYS C C 13 175.353 0.002 . 1 . . . . . 75 LYS C . 52071 1 349 . 1 . 1 75 75 LYS CA C 13 55.572 0.006 . 1 . . . . . 75 LYS CA . 52071 1 350 . 1 . 1 75 75 LYS CB C 13 29.782 0.000 . 1 . . . . . 75 LYS CB . 52071 1 351 . 1 . 1 75 75 LYS N N 15 117.138 0.012 . 1 . . . . . 75 LYS N . 52071 1 352 . 1 . 1 76 76 LYS H H 1 7.738 0.001 . 1 . . . . . 76 LYS H . 52071 1 353 . 1 . 1 76 76 LYS C C 13 175.069 0.001 . 1 . . . . . 76 LYS C . 52071 1 354 . 1 . 1 76 76 LYS CA C 13 54.067 0.002 . 1 . . . . . 76 LYS CA . 52071 1 355 . 1 . 1 76 76 LYS CB C 13 29.525 0.000 . 1 . . . . . 76 LYS CB . 52071 1 356 . 1 . 1 76 76 LYS N N 15 118.261 0.008 . 1 . . . . . 76 LYS N . 52071 1 357 . 1 . 1 77 77 MET H H 1 7.880 0.001 . 1 . . . . . 77 MET H . 52071 1 358 . 1 . 1 77 77 MET C C 13 173.827 0.000 . 1 . . . . . 77 MET C . 52071 1 359 . 1 . 1 77 77 MET CA C 13 53.805 0.000 . 1 . . . . . 77 MET CA . 52071 1 360 . 1 . 1 77 77 MET CB C 13 30.082 0.000 . 1 . . . . . 77 MET CB . 52071 1 361 . 1 . 1 77 77 MET N N 15 118.772 0.004 . 1 . . . . . 77 MET N . 52071 1 362 . 1 . 1 78 78 LYS H H 1 7.772 0.001 . 1 . . . . . 78 LYS H . 52071 1 363 . 1 . 1 78 78 LYS C C 13 173.983 0.004 . 1 . . . . . 78 LYS C . 52071 1 364 . 1 . 1 78 78 LYS CA C 13 54.061 0.039 . 1 . . . . . 78 LYS CA . 52071 1 365 . 1 . 1 78 78 LYS CB C 13 30.273 0.005 . 1 . . . . . 78 LYS CB . 52071 1 366 . 1 . 1 78 78 LYS N N 15 120.865 0.002 . 1 . . . . . 78 LYS N . 52071 1 367 . 1 . 1 79 79 ASP H H 1 8.281 0.001 . 1 . . . . . 79 ASP H . 52071 1 368 . 1 . 1 79 79 ASP C C 13 174.142 0.007 . 1 . . . . . 79 ASP C . 52071 1 369 . 1 . 1 79 79 ASP CA C 13 52.122 0.009 . 1 . . . . . 79 ASP CA . 52071 1 370 . 1 . 1 79 79 ASP CB C 13 38.307 0.009 . 1 . . . . . 79 ASP CB . 52071 1 371 . 1 . 1 79 79 ASP N N 15 121.871 0.002 . 1 . . . . . 79 ASP N . 52071 1 372 . 1 . 1 80 80 THR H H 1 8.053 0.001 . 1 . . . . . 80 THR H . 52071 1 373 . 1 . 1 80 80 THR C C 13 172.005 0.000 . 1 . . . . . 80 THR C . 52071 1 374 . 1 . 1 80 80 THR CA C 13 59.984 0.044 . 1 . . . . . 80 THR CA . 52071 1 375 . 1 . 1 80 80 THR CB C 13 67.023 0.010 . 1 . . . . . 80 THR CB . 52071 1 376 . 1 . 1 80 80 THR N N 15 114.749 0.005 . 1 . . . . . 80 THR N . 52071 1 377 . 1 . 1 81 81 ASP H H 1 8.364 0.001 . 1 . . . . . 81 ASP H . 52071 1 378 . 1 . 1 81 81 ASP C C 13 174.378 0.011 . 1 . . . . . 81 ASP C . 52071 1 379 . 1 . 1 81 81 ASP CA C 13 52.297 0.006 . 1 . . . . . 81 ASP CA . 52071 1 380 . 1 . 1 81 81 ASP CB C 13 38.510 0.001 . 1 . . . . . 81 ASP CB . 52071 1 381 . 1 . 1 81 81 ASP N N 15 123.215 0.004 . 1 . . . . . 81 ASP N . 52071 1 382 . 1 . 1 82 82 SER H H 1 8.354 0.002 . 1 . . . . . 82 SER H . 52071 1 383 . 1 . 1 82 82 SER C C 13 172.854 0.000 . 1 . . . . . 82 SER C . 52071 1 384 . 1 . 1 82 82 SER CA C 13 57.046 0.020 . 1 . . . . . 82 SER CA . 52071 1 385 . 1 . 1 82 82 SER CB C 13 60.851 0.009 . 1 . . . . . 82 SER CB . 52071 1 386 . 1 . 1 82 82 SER N N 15 117.115 0.006 . 1 . . . . . 82 SER N . 52071 1 387 . 1 . 1 83 83 GLU H H 1 8.367 0.002 . 1 . . . . . 83 GLU H . 52071 1 388 . 1 . 1 83 83 GLU C C 13 174.981 0.003 . 1 . . . . . 83 GLU C . 52071 1 389 . 1 . 1 83 83 GLU CA C 13 55.814 0.004 . 1 . . . . . 83 GLU CA . 52071 1 390 . 1 . 1 83 83 GLU CB C 13 26.985 0.000 . 1 . . . . . 83 GLU CB . 52071 1 391 . 1 . 1 83 83 GLU N N 15 122.414 0.010 . 1 . . . . . 83 GLU N . 52071 1 392 . 1 . 1 84 84 GLU H H 1 8.185 0.001 . 1 . . . . . 84 GLU H . 52071 1 393 . 1 . 1 84 84 GLU C C 13 176.271 0.014 . 1 . . . . . 84 GLU C . 52071 1 394 . 1 . 1 84 84 GLU N N 15 119.297 0.006 . 1 . . . . . 84 GLU N . 52071 1 395 . 1 . 1 85 85 GLU H H 1 8.181 0.001 . 1 . . . . . 85 GLU H . 52071 1 396 . 1 . 1 85 85 GLU C C 13 177.116 0.002 . 1 . . . . . 85 GLU C . 52071 1 397 . 1 . 1 85 85 GLU CA C 13 56.766 0.047 . 1 . . . . . 85 GLU CA . 52071 1 398 . 1 . 1 85 85 GLU CB C 13 26.770 0.014 . 1 . . . . . 85 GLU CB . 52071 1 399 . 1 . 1 85 85 GLU N N 15 119.226 0.024 . 1 . . . . . 85 GLU N . 52071 1 400 . 1 . 1 86 86 LEU H H 1 8.020 0.001 . 1 . . . . . 86 LEU H . 52071 1 401 . 1 . 1 86 86 LEU C C 13 176.380 0.012 . 1 . . . . . 86 LEU C . 52071 1 402 . 1 . 1 86 86 LEU CA C 13 55.295 0.005 . 1 . . . . . 86 LEU CA . 52071 1 403 . 1 . 1 86 86 LEU CB C 13 39.410 0.011 . 1 . . . . . 86 LEU CB . 52071 1 404 . 1 . 1 86 86 LEU N N 15 121.952 0.006 . 1 . . . . . 86 LEU N . 52071 1 405 . 1 . 1 87 87 LYS H H 1 8.308 0.001 . 1 . . . . . 87 LYS H . 52071 1 406 . 1 . 1 87 87 LYS C C 13 177.070 0.001 . 1 . . . . . 87 LYS C . 52071 1 407 . 1 . 1 87 87 LYS CA C 13 57.380 0.016 . 1 . . . . . 87 LYS CA . 52071 1 408 . 1 . 1 87 87 LYS CB C 13 29.633 0.015 . 1 . . . . . 87 LYS CB . 52071 1 409 . 1 . 1 87 87 LYS N N 15 120.818 0.008 . 1 . . . . . 87 LYS N . 52071 1 410 . 1 . 1 88 88 GLU H H 1 7.927 0.002 . 1 . . . . . 88 GLU H . 52071 1 411 . 1 . 1 88 88 GLU C C 13 175.540 0.002 . 1 . . . . . 88 GLU C . 52071 1 412 . 1 . 1 88 88 GLU CA C 13 56.086 0.022 . 1 . . . . . 88 GLU CA . 52071 1 413 . 1 . 1 88 88 GLU CB C 13 26.340 0.006 . 1 . . . . . 88 GLU CB . 52071 1 414 . 1 . 1 88 88 GLU N N 15 119.410 0.015 . 1 . . . . . 88 GLU N . 52071 1 415 . 1 . 1 89 89 ALA H H 1 7.964 0.001 . 1 . . . . . 89 ALA H . 52071 1 416 . 1 . 1 89 89 ALA C C 13 176.456 0.011 . 1 . . . . . 89 ALA C . 52071 1 417 . 1 . 1 89 89 ALA CA C 13 52.429 0.012 . 1 . . . . . 89 ALA CA . 52071 1 418 . 1 . 1 89 89 ALA CB C 13 15.110 0.011 . 1 . . . . . 89 ALA CB . 52071 1 419 . 1 . 1 89 89 ALA N N 15 121.839 0.007 . 1 . . . . . 89 ALA N . 52071 1 420 . 1 . 1 90 90 PHE H H 1 8.444 0.001 . 1 . . . . . 90 PHE H . 52071 1 421 . 1 . 1 90 90 PHE C C 13 173.691 0.004 . 1 . . . . . 90 PHE C . 52071 1 422 . 1 . 1 90 90 PHE CA C 13 59.374 0.017 . 1 . . . . . 90 PHE CA . 52071 1 423 . 1 . 1 90 90 PHE CB C 13 36.660 0.006 . 1 . . . . . 90 PHE CB . 52071 1 424 . 1 . 1 90 90 PHE N N 15 118.446 0.004 . 1 . . . . . 90 PHE N . 52071 1 425 . 1 . 1 91 91 ARG H H 1 7.581 0.001 . 1 . . . . . 91 ARG H . 52071 1 426 . 1 . 1 91 91 ARG C C 13 175.732 0.003 . 1 . . . . . 91 ARG C . 52071 1 427 . 1 . 1 91 91 ARG CA C 13 56.454 0.031 . 1 . . . . . 91 ARG CA . 52071 1 428 . 1 . 1 91 91 ARG CB C 13 27.735 0.055 . 1 . . . . . 91 ARG CB . 52071 1 429 . 1 . 1 91 91 ARG N N 15 115.820 0.004 . 1 . . . . . 91 ARG N . 52071 1 430 . 1 . 1 92 92 VAL H H 1 7.602 0.000 . 1 . . . . . 92 VAL H . 52071 1 431 . 1 . 1 92 92 VAL C C 13 175.038 0.006 . 1 . . . . . 92 VAL C . 52071 1 432 . 1 . 1 92 92 VAL CA C 13 63.019 0.036 . 1 . . . . . 92 VAL CA . 52071 1 433 . 1 . 1 92 92 VAL CB C 13 28.931 0.034 . 1 . . . . . 92 VAL CB . 52071 1 434 . 1 . 1 92 92 VAL N N 15 118.290 0.022 . 1 . . . . . 92 VAL N . 52071 1 435 . 1 . 1 93 93 PHE H H 1 7.441 0.002 . 1 . . . . . 93 PHE H . 52071 1 436 . 1 . 1 93 93 PHE C C 13 174.308 0.009 . 1 . . . . . 93 PHE C . 52071 1 437 . 1 . 1 93 93 PHE CA C 13 56.945 0.019 . 1 . . . . . 93 PHE CA . 52071 1 438 . 1 . 1 93 93 PHE CB C 13 37.380 0.017 . 1 . . . . . 93 PHE CB . 52071 1 439 . 1 . 1 93 93 PHE N N 15 116.039 0.017 . 1 . . . . . 93 PHE N . 52071 1 440 . 1 . 1 94 94 ASP H H 1 7.671 0.002 . 1 . . . . . 94 ASP H . 52071 1 441 . 1 . 1 94 94 ASP C C 13 174.770 0.006 . 1 . . . . . 94 ASP C . 52071 1 442 . 1 . 1 94 94 ASP CA C 13 49.626 0.016 . 1 . . . . . 94 ASP CA . 52071 1 443 . 1 . 1 94 94 ASP CB C 13 35.590 0.011 . 1 . . . . . 94 ASP CB . 52071 1 444 . 1 . 1 94 94 ASP N N 15 118.222 0.011 . 1 . . . . . 94 ASP N . 52071 1 445 . 1 . 1 95 95 LYS H H 1 7.626 0.001 . 1 . . . . . 95 LYS H . 52071 1 446 . 1 . 1 95 95 LYS C C 13 175.519 0.003 . 1 . . . . . 95 LYS C . 52071 1 447 . 1 . 1 95 95 LYS CA C 13 56.418 0.030 . 1 . . . . . 95 LYS CA . 52071 1 448 . 1 . 1 95 95 LYS CB C 13 30.069 0.001 . 1 . . . . . 95 LYS CB . 52071 1 449 . 1 . 1 95 95 LYS N N 15 125.996 0.004 . 1 . . . . . 95 LYS N . 52071 1 450 . 1 . 1 96 96 ASP H H 1 8.026 0.001 . 1 . . . . . 96 ASP H . 52071 1 451 . 1 . 1 96 96 ASP C C 13 173.070 0.009 . 1 . . . . . 96 ASP C . 52071 1 452 . 1 . 1 96 96 ASP CA C 13 50.263 0.023 . 1 . . . . . 96 ASP CA . 52071 1 453 . 1 . 1 96 96 ASP CB C 13 36.395 0.026 . 1 . . . . . 96 ASP CB . 52071 1 454 . 1 . 1 96 96 ASP N N 15 114.274 0.004 . 1 . . . . . 96 ASP N . 52071 1 455 . 1 . 1 97 97 GLN H H 1 7.817 0.001 . 1 . . . . . 97 GLN H . 52071 1 456 . 1 . 1 97 97 GLN C C 13 172.776 0.007 . 1 . . . . . 97 GLN C . 52071 1 457 . 1 . 1 97 97 GLN CA C 13 54.106 0.010 . 1 . . . . . 97 GLN CA . 52071 1 458 . 1 . 1 97 97 GLN CB C 13 23.871 0.040 . 1 . . . . . 97 GLN CB . 52071 1 459 . 1 . 1 97 97 GLN N N 15 114.298 0.007 . 1 . . . . . 97 GLN N . 52071 1 460 . 1 . 1 98 98 ASN H H 1 8.407 0.002 . 1 . . . . . 98 ASN H . 52071 1 461 . 1 . 1 98 98 ASN C C 13 173.782 0.002 . 1 . . . . . 98 ASN C . 52071 1 462 . 1 . 1 98 98 ASN CA C 13 49.553 0.027 . 1 . . . . . 98 ASN CA . 52071 1 463 . 1 . 1 98 98 ASN CB C 13 35.894 0.007 . 1 . . . . . 98 ASN CB . 52071 1 464 . 1 . 1 98 98 ASN N N 15 118.391 0.010 . 1 . . . . . 98 ASN N . 52071 1 465 . 1 . 1 99 99 GLY H H 1 10.487 0.001 . 1 . . . . . 99 GLY H . 52071 1 466 . 1 . 1 99 99 GLY C C 13 169.514 0.003 . 1 . . . . . 99 GLY C . 52071 1 467 . 1 . 1 99 99 GLY CA C 13 42.365 0.029 . 1 . . . . . 99 GLY CA . 52071 1 468 . 1 . 1 99 99 GLY N N 15 112.852 0.003 . 1 . . . . . 99 GLY N . 52071 1 469 . 1 . 1 100 100 PHE H H 1 7.549 0.001 . 1 . . . . . 100 PHE H . 52071 1 470 . 1 . 1 100 100 PHE C C 13 171.669 0.003 . 1 . . . . . 100 PHE C . 52071 1 471 . 1 . 1 100 100 PHE CA C 13 53.267 0.020 . 1 . . . . . 100 PHE CA . 52071 1 472 . 1 . 1 100 100 PHE CB C 13 41.747 0.019 . 1 . . . . . 100 PHE CB . 52071 1 473 . 1 . 1 100 100 PHE N N 15 115.224 0.005 . 1 . . . . . 100 PHE N . 52071 1 474 . 1 . 1 101 101 ILE H H 1 10.193 0.002 . 1 . . . . . 101 ILE H . 52071 1 475 . 1 . 1 101 101 ILE C C 13 172.831 0.009 . 1 . . . . . 101 ILE C . 52071 1 476 . 1 . 1 101 101 ILE CA C 13 57.148 0.015 . 1 . . . . . 101 ILE CA . 52071 1 477 . 1 . 1 101 101 ILE CB C 13 35.732 0.023 . 1 . . . . . 101 ILE CB . 52071 1 478 . 1 . 1 101 101 ILE N N 15 127.190 0.003 . 1 . . . . . 101 ILE N . 52071 1 479 . 1 . 1 102 102 SER H H 1 8.944 0.002 . 1 . . . . . 102 SER H . 52071 1 480 . 1 . 1 102 102 SER C C 13 172.407 0.001 . 1 . . . . . 102 SER C . 52071 1 481 . 1 . 1 102 102 SER CA C 13 53.336 0.026 . 1 . . . . . 102 SER CA . 52071 1 482 . 1 . 1 102 102 SER CB C 13 63.757 0.001 . 1 . . . . . 102 SER CB . 52071 1 483 . 1 . 1 102 102 SER N N 15 124.065 0.005 . 1 . . . . . 102 SER N . 52071 1 484 . 1 . 1 103 103 ALA H H 1 9.087 0.001 . 1 . . . . . 103 ALA H . 52071 1 485 . 1 . 1 103 103 ALA C C 13 176.649 0.004 . 1 . . . . . 103 ALA C . 52071 1 486 . 1 . 1 103 103 ALA CA C 13 53.382 0.018 . 1 . . . . . 103 ALA CA . 52071 1 487 . 1 . 1 103 103 ALA CB C 13 15.215 0.000 . 1 . . . . . 103 ALA CB . 52071 1 488 . 1 . 1 103 103 ALA N N 15 122.648 0.004 . 1 . . . . . 103 ALA N . 52071 1 489 . 1 . 1 104 104 ALA H H 1 8.165 0.001 . 1 . . . . . 104 ALA H . 52071 1 490 . 1 . 1 104 104 ALA C C 13 178.580 0.002 . 1 . . . . . 104 ALA C . 52071 1 491 . 1 . 1 104 104 ALA CA C 13 52.460 0.010 . 1 . . . . . 104 ALA CA . 52071 1 492 . 1 . 1 104 104 ALA CB C 13 15.686 0.036 . 1 . . . . . 104 ALA CB . 52071 1 493 . 1 . 1 104 104 ALA N N 15 118.484 0.003 . 1 . . . . . 104 ALA N . 52071 1 494 . 1 . 1 105 105 GLU H H 1 7.729 0.001 . 1 . . . . . 105 GLU H . 52071 1 495 . 1 . 1 105 105 GLU C C 13 176.897 0.002 . 1 . . . . . 105 GLU C . 52071 1 496 . 1 . 1 105 105 GLU CA C 13 56.143 0.046 . 1 . . . . . 105 GLU CA . 52071 1 497 . 1 . 1 105 105 GLU CB C 13 26.839 0.014 . 1 . . . . . 105 GLU CB . 52071 1 498 . 1 . 1 105 105 GLU N N 15 119.159 0.007 . 1 . . . . . 105 GLU N . 52071 1 499 . 1 . 1 106 106 LEU H H 1 8.711 0.001 . 1 . . . . . 106 LEU H . 52071 1 500 . 1 . 1 106 106 LEU C C 13 175.672 0.008 . 1 . . . . . 106 LEU C . 52071 1 501 . 1 . 1 106 106 LEU CA C 13 55.059 0.028 . 1 . . . . . 106 LEU CA . 52071 1 502 . 1 . 1 106 106 LEU CB C 13 39.274 0.005 . 1 . . . . . 106 LEU CB . 52071 1 503 . 1 . 1 106 106 LEU N N 15 121.537 0.007 . 1 . . . . . 106 LEU N . 52071 1 504 . 1 . 1 107 107 ARG H H 1 8.173 0.003 . 1 . . . . . 107 ARG H . 52071 1 505 . 1 . 1 107 107 ARG C C 13 175.677 0.007 . 1 . . . . . 107 ARG C . 52071 1 506 . 1 . 1 107 107 ARG CA C 13 57.054 0.008 . 1 . . . . . 107 ARG CA . 52071 1 507 . 1 . 1 107 107 ARG CB C 13 27.556 0.000 . 1 . . . . . 107 ARG CB . 52071 1 508 . 1 . 1 107 107 ARG N N 15 117.426 0.011 . 1 . . . . . 107 ARG N . 52071 1 509 . 1 . 1 108 108 HIS H H 1 7.598 0.002 . 1 . . . . . 108 HIS H . 52071 1 510 . 1 . 1 108 108 HIS C C 13 174.711 0.010 . 1 . . . . . 108 HIS C . 52071 1 511 . 1 . 1 108 108 HIS CA C 13 56.549 0.042 . 1 . . . . . 108 HIS CA . 52071 1 512 . 1 . 1 108 108 HIS CB C 13 28.063 0.056 . 1 . . . . . 108 HIS CB . 52071 1 513 . 1 . 1 108 108 HIS N N 15 118.123 0.016 . 1 . . . . . 108 HIS N . 52071 1 514 . 1 . 1 109 109 VAL H H 1 7.667 0.002 . 1 . . . . . 109 VAL H . 52071 1 515 . 1 . 1 109 109 VAL C C 13 175.056 0.003 . 1 . . . . . 109 VAL C . 52071 1 516 . 1 . 1 109 109 VAL CA C 13 62.927 0.018 . 1 . . . . . 109 VAL CA . 52071 1 517 . 1 . 1 109 109 VAL CB C 13 29.112 0.000 . 1 . . . . . 109 VAL CB . 52071 1 518 . 1 . 1 109 109 VAL N N 15 119.256 0.008 . 1 . . . . . 109 VAL N . 52071 1 519 . 1 . 1 110 110 MET H H 1 8.031 0.001 . 1 . . . . . 110 MET H . 52071 1 520 . 1 . 1 110 110 MET C C 13 175.797 0.006 . 1 . . . . . 110 MET C . 52071 1 521 . 1 . 1 110 110 MET CA C 13 54.238 0.026 . 1 . . . . . 110 MET CA . 52071 1 522 . 1 . 1 110 110 MET CB C 13 28.525 0.015 . 1 . . . . . 110 MET CB . 52071 1 523 . 1 . 1 110 110 MET N N 15 116.471 0.010 . 1 . . . . . 110 MET N . 52071 1 524 . 1 . 1 111 111 THR H H 1 8.178 0.001 . 1 . . . . . 111 THR H . 52071 1 525 . 1 . 1 111 111 THR C C 13 174.735 0.003 . 1 . . . . . 111 THR C . 52071 1 526 . 1 . 1 111 111 THR CA C 13 62.538 0.026 . 1 . . . . . 111 THR CA . 52071 1 527 . 1 . 1 111 111 THR CB C 13 66.548 0.000 . 1 . . . . . 111 THR CB . 52071 1 528 . 1 . 1 111 111 THR N N 15 115.219 0.007 . 1 . . . . . 111 THR N . 52071 1 529 . 1 . 1 112 112 ASN H H 1 7.991 0.001 . 1 . . . . . 112 ASN H . 52071 1 530 . 1 . 1 112 112 ASN C C 13 173.556 0.005 . 1 . . . . . 112 ASN C . 52071 1 531 . 1 . 1 112 112 ASN CA C 13 52.974 0.000 . 1 . . . . . 112 ASN CA . 52071 1 532 . 1 . 1 112 112 ASN CB C 13 35.937 0.003 . 1 . . . . . 112 ASN CB . 52071 1 533 . 1 . 1 112 112 ASN N N 15 121.933 0.006 . 1 . . . . . 112 ASN N . 52071 1 534 . 1 . 1 113 113 LEU H H 1 7.805 0.001 . 1 . . . . . 113 LEU H . 52071 1 535 . 1 . 1 113 113 LEU C C 13 174.707 0.012 . 1 . . . . . 113 LEU C . 52071 1 536 . 1 . 1 113 113 LEU CA C 13 52.700 0.053 . 1 . . . . . 113 LEU CA . 52071 1 537 . 1 . 1 113 113 LEU CB C 13 39.273 0.004 . 1 . . . . . 113 LEU CB . 52071 1 538 . 1 . 1 113 113 LEU N N 15 119.159 0.008 . 1 . . . . . 113 LEU N . 52071 1 539 . 1 . 1 114 114 GLY H H 1 7.836 0.002 . 1 . . . . . 114 GLY H . 52071 1 540 . 1 . 1 114 114 GLY C C 13 171.540 0.007 . 1 . . . . . 114 GLY C . 52071 1 541 . 1 . 1 114 114 GLY CA C 13 42.772 0.008 . 1 . . . . . 114 GLY CA . 52071 1 542 . 1 . 1 114 114 GLY N N 15 107.025 0.008 . 1 . . . . . 114 GLY N . 52071 1 543 . 1 . 1 115 115 GLU H H 1 7.818 0.001 . 1 . . . . . 115 GLU H . 52071 1 544 . 1 . 1 115 115 GLU C C 13 172.794 0.009 . 1 . . . . . 115 GLU C . 52071 1 545 . 1 . 1 115 115 GLU CA C 13 52.554 0.019 . 1 . . . . . 115 GLU CA . 52071 1 546 . 1 . 1 115 115 GLU CB C 13 28.008 0.003 . 1 . . . . . 115 GLU CB . 52071 1 547 . 1 . 1 115 115 GLU N N 15 120.212 0.005 . 1 . . . . . 115 GLU N . 52071 1 548 . 1 . 1 116 116 LYS H H 1 8.486 0.001 . 1 . . . . . 116 LYS H . 52071 1 549 . 1 . 1 116 116 LYS C C 13 173.065 0.010 . 1 . . . . . 116 LYS C . 52071 1 550 . 1 . 1 116 116 LYS CA C 13 52.979 0.059 . 1 . . . . . 116 LYS CA . 52071 1 551 . 1 . 1 116 116 LYS CB C 13 29.632 0.004 . 1 . . . . . 116 LYS CB . 52071 1 552 . 1 . 1 116 116 LYS N N 15 123.562 0.005 . 1 . . . . . 116 LYS N . 52071 1 553 . 1 . 1 117 117 LEU H H 1 8.063 0.001 . 1 . . . . . 117 LEU H . 52071 1 554 . 1 . 1 117 117 LEU C C 13 175.412 0.001 . 1 . . . . . 117 LEU C . 52071 1 555 . 1 . 1 117 117 LEU CA C 13 51.539 0.004 . 1 . . . . . 117 LEU CA . 52071 1 556 . 1 . 1 117 117 LEU CB C 13 41.959 0.011 . 1 . . . . . 117 LEU CB . 52071 1 557 . 1 . 1 117 117 LEU N N 15 124.457 0.004 . 1 . . . . . 117 LEU N . 52071 1 558 . 1 . 1 118 118 THR H H 1 9.164 0.001 . 1 . . . . . 118 THR H . 52071 1 559 . 1 . 1 118 118 THR C C 13 172.780 0.008 . 1 . . . . . 118 THR C . 52071 1 560 . 1 . 1 118 118 THR CA C 13 58.004 0.030 . 1 . . . . . 118 THR CA . 52071 1 561 . 1 . 1 118 118 THR CB C 13 68.545 0.002 . 1 . . . . . 118 THR CB . 52071 1 562 . 1 . 1 118 118 THR N N 15 114.506 0.003 . 1 . . . . . 118 THR N . 52071 1 563 . 1 . 1 119 119 ASP H H 1 8.845 0.001 . 1 . . . . . 119 ASP H . 52071 1 564 . 1 . 1 119 119 ASP C C 13 176.103 0.015 . 1 . . . . . 119 ASP C . 52071 1 565 . 1 . 1 119 119 ASP CA C 13 55.353 0.012 . 1 . . . . . 119 ASP CA . 52071 1 566 . 1 . 1 119 119 ASP CB C 13 37.074 0.009 . 1 . . . . . 119 ASP CB . 52071 1 567 . 1 . 1 119 119 ASP N N 15 120.840 0.007 . 1 . . . . . 119 ASP N . 52071 1 568 . 1 . 1 120 120 GLU H H 1 8.677 0.001 . 1 . . . . . 120 GLU H . 52071 1 569 . 1 . 1 120 120 GLU C C 13 176.501 0.007 . 1 . . . . . 120 GLU C . 52071 1 570 . 1 . 1 120 120 GLU CA C 13 57.382 0.015 . 1 . . . . . 120 GLU CA . 52071 1 571 . 1 . 1 120 120 GLU CB C 13 26.346 0.017 . 1 . . . . . 120 GLU CB . 52071 1 572 . 1 . 1 120 120 GLU N N 15 119.327 0.003 . 1 . . . . . 120 GLU N . 52071 1 573 . 1 . 1 121 121 GLU H H 1 7.706 0.001 . 1 . . . . . 121 GLU H . 52071 1 574 . 1 . 1 121 121 GLU C C 13 177.514 0.013 . 1 . . . . . 121 GLU C . 52071 1 575 . 1 . 1 121 121 GLU CA C 13 56.552 0.029 . 1 . . . . . 121 GLU CA . 52071 1 576 . 1 . 1 121 121 GLU CB C 13 27.832 0.022 . 1 . . . . . 121 GLU CB . 52071 1 577 . 1 . 1 121 121 GLU N N 15 120.528 0.021 . 1 . . . . . 121 GLU N . 52071 1 578 . 1 . 1 122 122 VAL H H 1 8.121 0.001 . 1 . . . . . 122 VAL H . 52071 1 579 . 1 . 1 122 122 VAL C C 13 174.562 0.008 . 1 . . . . . 122 VAL C . 52071 1 580 . 1 . 1 122 122 VAL CA C 13 64.301 0.025 . 1 . . . . . 122 VAL CA . 52071 1 581 . 1 . 1 122 122 VAL CB C 13 28.779 0.003 . 1 . . . . . 122 VAL CB . 52071 1 582 . 1 . 1 122 122 VAL N N 15 121.325 0.007 . 1 . . . . . 122 VAL N . 52071 1 583 . 1 . 1 123 123 GLU H H 1 7.955 0.001 . 1 . . . . . 123 GLU H . 52071 1 584 . 1 . 1 123 123 GLU C C 13 176.826 0.001 . 1 . . . . . 123 GLU C . 52071 1 585 . 1 . 1 123 123 GLU CA C 13 57.043 0.021 . 1 . . . . . 123 GLU CA . 52071 1 586 . 1 . 1 123 123 GLU CB C 13 26.335 0.000 . 1 . . . . . 123 GLU CB . 52071 1 587 . 1 . 1 123 123 GLU N N 15 118.977 0.006 . 1 . . . . . 123 GLU N . 52071 1 588 . 1 . 1 124 124 GLU H H 1 7.913 0.001 . 1 . . . . . 124 GLU H . 52071 1 589 . 1 . 1 124 124 GLU C C 13 175.296 0.002 . 1 . . . . . 124 GLU C . 52071 1 590 . 1 . 1 124 124 GLU CA C 13 56.424 0.029 . 1 . . . . . 124 GLU CA . 52071 1 591 . 1 . 1 124 124 GLU CB C 13 26.645 0.087 . 1 . . . . . 124 GLU CB . 52071 1 592 . 1 . 1 124 124 GLU N N 15 119.341 0.008 . 1 . . . . . 124 GLU N . 52071 1 593 . 1 . 1 125 125 MET H H 1 7.747 0.001 . 1 . . . . . 125 MET H . 52071 1 594 . 1 . 1 125 125 MET C C 13 176.372 0.014 . 1 . . . . . 125 MET C . 52071 1 595 . 1 . 1 125 125 MET CA C 13 56.601 0.024 . 1 . . . . . 125 MET CA . 52071 1 596 . 1 . 1 125 125 MET CB C 13 30.281 0.015 . 1 . . . . . 125 MET CB . 52071 1 597 . 1 . 1 125 125 MET N N 15 119.715 0.006 . 1 . . . . . 125 MET N . 52071 1 598 . 1 . 1 126 126 ILE H H 1 7.926 0.002 . 1 . . . . . 126 ILE H . 52071 1 599 . 1 . 1 126 126 ILE C C 13 174.177 0.006 . 1 . . . . . 126 ILE C . 52071 1 600 . 1 . 1 126 126 ILE CA C 13 62.295 0.032 . 1 . . . . . 126 ILE CA . 52071 1 601 . 1 . 1 126 126 ILE CB C 13 34.211 0.004 . 1 . . . . . 126 ILE CB . 52071 1 602 . 1 . 1 126 126 ILE N N 15 118.395 0.006 . 1 . . . . . 126 ILE N . 52071 1 603 . 1 . 1 127 127 ARG H H 1 8.002 0.001 . 1 . . . . . 127 ARG H . 52071 1 604 . 1 . 1 127 127 ARG C C 13 176.552 0.007 . 1 . . . . . 127 ARG C . 52071 1 605 . 1 . 1 127 127 ARG CA C 13 57.022 0.031 . 1 . . . . . 127 ARG CA . 52071 1 606 . 1 . 1 127 127 ARG CB C 13 27.430 0.000 . 1 . . . . . 127 ARG CB . 52071 1 607 . 1 . 1 127 127 ARG N N 15 118.378 0.005 . 1 . . . . . 127 ARG N . 52071 1 608 . 1 . 1 128 128 GLU H H 1 7.796 0.001 . 1 . . . . . 128 GLU H . 52071 1 609 . 1 . 1 128 128 GLU C C 13 174.660 0.011 . 1 . . . . . 128 GLU C . 52071 1 610 . 1 . 1 128 128 GLU CA C 13 55.681 0.035 . 1 . . . . . 128 GLU CA . 52071 1 611 . 1 . 1 128 128 GLU CB C 13 27.221 0.030 . 1 . . . . . 128 GLU CB . 52071 1 612 . 1 . 1 128 128 GLU N N 15 115.837 0.007 . 1 . . . . . 128 GLU N . 52071 1 613 . 1 . 1 129 129 ALA H H 1 7.462 0.001 . 1 . . . . . 129 ALA H . 52071 1 614 . 1 . 1 129 129 ALA C C 13 174.912 0.008 . 1 . . . . . 129 ALA C . 52071 1 615 . 1 . 1 129 129 ALA CA C 13 49.579 0.012 . 1 . . . . . 129 ALA CA . 52071 1 616 . 1 . 1 129 129 ALA CB C 13 18.371 0.002 . 1 . . . . . 129 ALA CB . 52071 1 617 . 1 . 1 129 129 ALA N N 15 118.853 0.010 . 1 . . . . . 129 ALA N . 52071 1 618 . 1 . 1 130 130 ASP H H 1 7.881 0.001 . 1 . . . . . 130 ASP H . 52071 1 619 . 1 . 1 130 130 ASP C C 13 173.915 0.002 . 1 . . . . . 130 ASP C . 52071 1 620 . 1 . 1 130 130 ASP CA C 13 51.413 0.020 . 1 . . . . . 130 ASP CA . 52071 1 621 . 1 . 1 130 130 ASP CB C 13 37.407 0.005 . 1 . . . . . 130 ASP CB . 52071 1 622 . 1 . 1 130 130 ASP N N 15 117.282 0.006 . 1 . . . . . 130 ASP N . 52071 1 623 . 1 . 1 131 131 VAL H H 1 8.471 0.001 . 1 . . . . . 131 VAL H . 52071 1 624 . 1 . 1 131 131 VAL C C 13 174.901 0.005 . 1 . . . . . 131 VAL C . 52071 1 625 . 1 . 1 131 131 VAL CA C 13 61.911 0.033 . 1 . . . . . 131 VAL CA . 52071 1 626 . 1 . 1 131 131 VAL CB C 13 29.883 0.002 . 1 . . . . . 131 VAL CB . 52071 1 627 . 1 . 1 131 131 VAL N N 15 127.014 0.003 . 1 . . . . . 131 VAL N . 52071 1 628 . 1 . 1 132 132 ASP H H 1 8.066 0.002 . 1 . . . . . 132 ASP H . 52071 1 629 . 1 . 1 132 132 ASP C C 13 175.549 0.003 . 1 . . . . . 132 ASP C . 52071 1 630 . 1 . 1 132 132 ASP CA C 13 50.794 0.031 . 1 . . . . . 132 ASP CA . 52071 1 631 . 1 . 1 132 132 ASP CB C 13 37.210 0.028 . 1 . . . . . 132 ASP CB . 52071 1 632 . 1 . 1 132 132 ASP N N 15 116.577 0.003 . 1 . . . . . 132 ASP N . 52071 1 633 . 1 . 1 133 133 GLY H H 1 7.425 0.002 . 1 . . . . . 133 GLY H . 52071 1 634 . 1 . 1 133 133 GLY C C 13 172.428 0.005 . 1 . . . . . 133 GLY C . 52071 1 635 . 1 . 1 133 133 GLY CA C 13 44.778 0.013 . 1 . . . . . 133 GLY CA . 52071 1 636 . 1 . 1 133 133 GLY N N 15 108.129 0.009 . 1 . . . . . 133 GLY N . 52071 1 637 . 1 . 1 134 134 ASP H H 1 8.196 0.001 . 1 . . . . . 134 ASP H . 52071 1 638 . 1 . 1 134 134 ASP C C 13 174.984 0.005 . 1 . . . . . 134 ASP C . 52071 1 639 . 1 . 1 134 134 ASP CA C 13 50.900 0.036 . 1 . . . . . 134 ASP CA . 52071 1 640 . 1 . 1 134 134 ASP CB C 13 37.580 0.002 . 1 . . . . . 134 ASP CB . 52071 1 641 . 1 . 1 134 134 ASP N N 15 120.377 0.013 . 1 . . . . . 134 ASP N . 52071 1 642 . 1 . 1 135 135 GLY H H 1 10.349 0.001 . 1 . . . . . 135 GLY H . 52071 1 643 . 1 . 1 135 135 GLY C C 13 170.141 0.002 . 1 . . . . . 135 GLY C . 52071 1 644 . 1 . 1 135 135 GLY CA C 13 43.099 0.005 . 1 . . . . . 135 GLY CA . 52071 1 645 . 1 . 1 135 135 GLY N N 15 113.096 0.003 . 1 . . . . . 135 GLY N . 52071 1 646 . 1 . 1 136 136 GLN H H 1 7.885 0.001 . 1 . . . . . 136 GLN H . 52071 1 647 . 1 . 1 136 136 GLN C C 13 171.633 0.002 . 1 . . . . . 136 GLN C . 52071 1 648 . 1 . 1 136 136 GLN CA C 13 50.290 0.002 . 1 . . . . . 136 GLN CA . 52071 1 649 . 1 . 1 136 136 GLN CB C 13 29.179 0.001 . 1 . . . . . 136 GLN CB . 52071 1 650 . 1 . 1 136 136 GLN N N 15 115.409 0.003 . 1 . . . . . 136 GLN N . 52071 1 651 . 1 . 1 137 137 ILE H H 1 9.024 0.001 . 1 . . . . . 137 ILE H . 52071 1 652 . 1 . 1 137 137 ILE C C 13 173.301 0.002 . 1 . . . . . 137 ILE C . 52071 1 653 . 1 . 1 137 137 ILE CA C 13 56.197 0.029 . 1 . . . . . 137 ILE CA . 52071 1 654 . 1 . 1 137 137 ILE CB C 13 35.577 0.000 . 1 . . . . . 137 ILE CB . 52071 1 655 . 1 . 1 137 137 ILE N N 15 124.853 0.005 . 1 . . . . . 137 ILE N . 52071 1 656 . 1 . 1 138 138 ASN H H 1 9.424 0.002 . 1 . . . . . 138 ASN H . 52071 1 657 . 1 . 1 138 138 ASN C C 13 172.323 0.001 . 1 . . . . . 138 ASN C . 52071 1 658 . 1 . 1 138 138 ASN CA C 13 48.481 0.015 . 1 . . . . . 138 ASN CA . 52071 1 659 . 1 . 1 138 138 ASN CB C 13 35.551 0.000 . 1 . . . . . 138 ASN CB . 52071 1 660 . 1 . 1 138 138 ASN N N 15 128.958 0.004 . 1 . . . . . 138 ASN N . 52071 1 661 . 1 . 1 139 139 TYR H H 1 8.375 0.001 . 1 . . . . . 139 TYR H . 52071 1 662 . 1 . 1 139 139 TYR C C 13 173.240 0.001 . 1 . . . . . 139 TYR C . 52071 1 663 . 1 . 1 139 139 TYR CA C 13 60.082 0.038 . 1 . . . . . 139 TYR CA . 52071 1 664 . 1 . 1 139 139 TYR CB C 13 35.140 0.000 . 1 . . . . . 139 TYR CB . 52071 1 665 . 1 . 1 139 139 TYR N N 15 118.588 0.008 . 1 . . . . . 139 TYR N . 52071 1 666 . 1 . 1 140 140 GLU H H 1 7.950 0.002 . 1 . . . . . 140 GLU H . 52071 1 667 . 1 . 1 140 140 GLU C C 13 177.501 0.011 . 1 . . . . . 140 GLU C . 52071 1 668 . 1 . 1 140 140 GLU CA C 13 57.597 0.038 . 1 . . . . . 140 GLU CA . 52071 1 669 . 1 . 1 140 140 GLU CB C 13 26.381 0.000 . 1 . . . . . 140 GLU CB . 52071 1 670 . 1 . 1 140 140 GLU N N 15 118.168 0.005 . 1 . . . . . 140 GLU N . 52071 1 671 . 1 . 1 141 141 GLU H H 1 8.591 0.001 . 1 . . . . . 141 GLU H . 52071 1 672 . 1 . 1 141 141 GLU C C 13 176.106 0.012 . 1 . . . . . 141 GLU C . 52071 1 673 . 1 . 1 141 141 GLU CA C 13 55.711 0.027 . 1 . . . . . 141 GLU CA . 52071 1 674 . 1 . 1 141 141 GLU CB C 13 27.337 0.017 . 1 . . . . . 141 GLU CB . 52071 1 675 . 1 . 1 141 141 GLU N N 15 119.798 0.012 . 1 . . . . . 141 GLU N . 52071 1 676 . 1 . 1 142 142 PHE H H 1 8.708 0.001 . 1 . . . . . 142 PHE H . 52071 1 677 . 1 . 1 142 142 PHE C C 13 173.883 0.003 . 1 . . . . . 142 PHE C . 52071 1 678 . 1 . 1 142 142 PHE CA C 13 58.346 0.041 . 1 . . . . . 142 PHE CA . 52071 1 679 . 1 . 1 142 142 PHE CB C 13 37.064 0.011 . 1 . . . . . 142 PHE CB . 52071 1 680 . 1 . 1 142 142 PHE N N 15 122.759 0.003 . 1 . . . . . 142 PHE N . 52071 1 681 . 1 . 1 143 143 VAL H H 1 8.303 0.001 . 1 . . . . . 143 VAL H . 52071 1 682 . 1 . 1 143 143 VAL C C 13 174.884 0.006 . 1 . . . . . 143 VAL C . 52071 1 683 . 1 . 1 143 143 VAL CA C 13 64.355 0.013 . 1 . . . . . 143 VAL CA . 52071 1 684 . 1 . 1 143 143 VAL CB C 13 28.912 0.000 . 1 . . . . . 143 VAL CB . 52071 1 685 . 1 . 1 143 143 VAL N N 15 119.086 0.006 . 1 . . . . . 143 VAL N . 52071 1 686 . 1 . 1 144 144 LYS H H 1 7.126 0.002 . 1 . . . . . 144 LYS H . 52071 1 687 . 1 . 1 144 144 LYS C C 13 176.857 0.007 . 1 . . . . . 144 LYS C . 52071 1 688 . 1 . 1 144 144 LYS CA C 13 56.674 0.048 . 1 . . . . . 144 LYS CA . 52071 1 689 . 1 . 1 144 144 LYS CB C 13 29.436 0.022 . 1 . . . . . 144 LYS CB . 52071 1 690 . 1 . 1 144 144 LYS N N 15 116.378 0.008 . 1 . . . . . 144 LYS N . 52071 1 691 . 1 . 1 145 145 ILE H H 1 7.419 0.002 . 1 . . . . . 145 ILE H . 52071 1 692 . 1 . 1 145 145 ILE C C 13 175.336 0.002 . 1 . . . . . 145 ILE C . 52071 1 693 . 1 . 1 145 145 ILE CA C 13 60.880 0.012 . 1 . . . . . 145 ILE CA . 52071 1 694 . 1 . 1 145 145 ILE CB C 13 35.587 0.002 . 1 . . . . . 145 ILE CB . 52071 1 695 . 1 . 1 145 145 ILE N N 15 117.009 0.020 . 1 . . . . . 145 ILE N . 52071 1 696 . 1 . 1 146 146 MET H H 1 7.708 0.002 . 1 . . . . . 146 MET H . 52071 1 697 . 1 . 1 146 146 MET C C 13 175.893 0.010 . 1 . . . . . 146 MET C . 52071 1 698 . 1 . 1 146 146 MET CA C 13 53.281 0.020 . 1 . . . . . 146 MET CA . 52071 1 699 . 1 . 1 146 146 MET CB C 13 28.622 0.001 . 1 . . . . . 146 MET CB . 52071 1 700 . 1 . 1 146 146 MET N N 15 118.000 0.017 . 1 . . . . . 146 MET N . 52071 1 701 . 1 . 1 147 147 MET H H 1 7.918 0.001 . 1 . . . . . 147 MET H . 52071 1 702 . 1 . 1 147 147 MET C C 13 173.507 0.001 . 1 . . . . . 147 MET C . 52071 1 703 . 1 . 1 147 147 MET CA C 13 53.144 0.032 . 1 . . . . . 147 MET CA . 52071 1 704 . 1 . 1 147 147 MET CB C 13 29.552 0.003 . 1 . . . . . 147 MET CB . 52071 1 705 . 1 . 1 147 147 MET N N 15 117.064 0.005 . 1 . . . . . 147 MET N . 52071 1 706 . 1 . 1 148 148 ALA H H 1 7.336 0.001 . 1 . . . . . 148 ALA H . 52071 1 707 . 1 . 1 148 148 ALA C C 13 173.991 0.003 . 1 . . . . . 148 ALA C . 52071 1 708 . 1 . 1 148 148 ALA CA C 13 49.839 0.002 . 1 . . . . . 148 ALA CA . 52071 1 709 . 1 . 1 148 148 ALA CB C 13 16.370 0.001 . 1 . . . . . 148 ALA CB . 52071 1 710 . 1 . 1 148 148 ALA N N 15 122.860 0.004 . 1 . . . . . 148 ALA N . 52071 1 711 . 1 . 1 149 149 LYS H H 1 7.440 0.001 . 1 . . . . . 149 LYS H . 52071 1 712 . 1 . 1 149 149 LYS C C 13 178.700 0.000 . 1 . . . . . 149 LYS C . 52071 1 713 . 1 . 1 149 149 LYS CA C 13 54.864 0.033 . 1 . . . . . 149 LYS CA . 52071 1 714 . 1 . 1 149 149 LYS CB C 13 30.853 0.000 . 1 . . . . . 149 LYS CB . 52071 1 715 . 1 . 1 149 149 LYS N N 15 125.062 0.002 . 1 . . . . . 149 LYS N . 52071 1 stop_ save_