data_27782 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27782 _Entry.Title ; 1HN, 13C, and 15N Resonance Assignments of human Calmodulin bound to CaMBP2 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-12 _Entry.Accession_date 2019-02-12 _Entry.Last_release_date 2019-02-12 _Entry.Original_release_date 2019-02-12 _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 'Chemical shift assignments for novel human Calmodulin fold in the presence of CaMBP2 peptide.' _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 Kristen Varney . M. . . 27782 2 Paul Wilder . T. . . 27782 3 Godoy-Ruiz Raquel . . . . 27782 4 Filippo Mancia . . . . 27782 5 David Weber . J. . . 27782 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Biomolecular Therapeutics, University of Maryland School of Medicine' . 27782 2 . 'Department of Physiology and Cellular Biophysics, Columbia University' . 27782 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27782 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 27782 '15N chemical shifts' 131 27782 '1H chemical shifts' 130 27782 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 . . 2019-09-20 2019-02-12 update BMRB 'update entry citation' 27782 1 . . 2019-04-12 2019-02-12 original author 'original release' 27782 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27782 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30875027 _Citation.Full_citation . _Citation.Title ; 1HN, 13C, and 15N resonance assignments of human calmodulin bound to a peptide derived from the STRA6 vitamin A transporter (CaMBP2) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 275 _Citation.Page_last 278 _Citation.Year 2019 _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 Kristen Varney . M. . . 27782 1 2 Paul Wilder . T. . . 27782 1 3 Raquel Godoy-Ruiz . . . . 27782 1 4 Filippo Mancia . . . . 27782 1 5 David Weber . J. . . 27782 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID STRA6 27782 1 calmodulin 27782 1 'retinoic acid' 27782 1 'vitamin A' 27782 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27782 _Assembly.ID 1 _Assembly.Name 'Calmodulin bound to CaMBP2 peptide' _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 . _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 Calmodulin 1 $Calmodulin A . yes native no no . . . 27782 1 2 CaMBP2 2 $CaMBP2 B . no native no no . . . 27782 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27782 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . ALA . 27782 1 2 . ASP . 27782 1 3 . GLN . 27782 1 4 . LEU . 27782 1 5 . THR . 27782 1 6 . GLU . 27782 1 7 . GLU . 27782 1 8 . GLN . 27782 1 9 . ILE . 27782 1 10 . ALA . 27782 1 11 . GLU . 27782 1 12 . PHE . 27782 1 13 . LYS . 27782 1 14 . GLU . 27782 1 15 . ALA . 27782 1 16 . PHE . 27782 1 17 . SER . 27782 1 18 . LEU . 27782 1 19 . PHE . 27782 1 20 . ASP . 27782 1 21 . LYS . 27782 1 22 . ASP . 27782 1 23 . GLY . 27782 1 24 . ASP . 27782 1 25 . GLY . 27782 1 26 . THR . 27782 1 27 . ILE . 27782 1 28 . THR . 27782 1 29 . THR . 27782 1 30 . LYS . 27782 1 31 . GLU . 27782 1 32 . LEU . 27782 1 33 . GLY . 27782 1 34 . THR . 27782 1 35 . VAL . 27782 1 36 . MET . 27782 1 37 . ARG . 27782 1 38 . SER . 27782 1 39 . LEU . 27782 1 40 . GLY . 27782 1 41 . GLN . 27782 1 42 . ASN . 27782 1 43 . PRO . 27782 1 44 . THR . 27782 1 45 . GLU . 27782 1 46 . ALA . 27782 1 47 . GLU . 27782 1 48 . LEU . 27782 1 49 . GLN . 27782 1 50 . ASP . 27782 1 51 . MET . 27782 1 52 . ILE . 27782 1 53 . ASN . 27782 1 54 . GLU . 27782 1 55 . VAL . 27782 1 56 . ASP . 27782 1 57 . ALA . 27782 1 58 . ASP . 27782 1 59 . GLY . 27782 1 60 . ASN . 27782 1 61 . GLY . 27782 1 62 . THR . 27782 1 63 . ILE . 27782 1 64 . ASP . 27782 1 65 . PHE . 27782 1 66 . PRO . 27782 1 67 . GLU . 27782 1 68 . PHE . 27782 1 69 . LEU . 27782 1 70 . THR . 27782 1 71 . MET . 27782 1 72 . MET . 27782 1 73 . ALA . 27782 1 74 . ARG . 27782 1 75 . LYS . 27782 1 76 . MET . 27782 1 77 . LYS . 27782 1 78 . ASP . 27782 1 79 . THR . 27782 1 80 . ASP . 27782 1 81 . SER . 27782 1 82 . GLU . 27782 1 83 . GLU . 27782 1 84 . GLU . 27782 1 85 . ILE . 27782 1 86 . ARG . 27782 1 87 . GLU . 27782 1 88 . ALA . 27782 1 89 . PHE . 27782 1 90 . ARG . 27782 1 91 . VAL . 27782 1 92 . PHE . 27782 1 93 . ASP . 27782 1 94 . LYS . 27782 1 95 . ASP . 27782 1 96 . GLY . 27782 1 97 . ASN . 27782 1 98 . GLY . 27782 1 99 . TYR . 27782 1 100 . ILE . 27782 1 101 . SER . 27782 1 102 . ALA . 27782 1 103 . ALA . 27782 1 104 . GLU . 27782 1 105 . LEU . 27782 1 106 . ARG . 27782 1 107 . HIS . 27782 1 108 . VAL . 27782 1 109 . MET . 27782 1 110 . THR . 27782 1 111 . ASN . 27782 1 112 . LEU . 27782 1 113 . GLY . 27782 1 114 . GLU . 27782 1 115 . LYS . 27782 1 116 . LEU . 27782 1 117 . THR . 27782 1 118 . ASP . 27782 1 119 . GLU . 27782 1 120 . GLU . 27782 1 121 . VAL . 27782 1 122 . ASP . 27782 1 123 . GLU . 27782 1 124 . MET . 27782 1 125 . ILE . 27782 1 126 . ARG . 27782 1 127 . GLU . 27782 1 128 . ALA . 27782 1 129 . ASP . 27782 1 130 . ILE . 27782 1 131 . ASP . 27782 1 132 . GLY . 27782 1 133 . ASP . 27782 1 134 . GLY . 27782 1 135 . GLN . 27782 1 136 . VAL . 27782 1 137 . ASN . 27782 1 138 . TYR . 27782 1 139 . GLU . 27782 1 140 . GLU . 27782 1 141 . PHE . 27782 1 142 . VAL . 27782 1 143 . GLN . 27782 1 144 . MET . 27782 1 145 . MET . 27782 1 146 . THR . 27782 1 147 . ALA . 27782 1 148 . LYS . 27782 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 27782 1 . ASP 2 2 27782 1 . GLN 3 3 27782 1 . LEU 4 4 27782 1 . THR 5 5 27782 1 . GLU 6 6 27782 1 . GLU 7 7 27782 1 . GLN 8 8 27782 1 . ILE 9 9 27782 1 . ALA 10 10 27782 1 . GLU 11 11 27782 1 . PHE 12 12 27782 1 . LYS 13 13 27782 1 . GLU 14 14 27782 1 . ALA 15 15 27782 1 . PHE 16 16 27782 1 . SER 17 17 27782 1 . LEU 18 18 27782 1 . PHE 19 19 27782 1 . ASP 20 20 27782 1 . LYS 21 21 27782 1 . ASP 22 22 27782 1 . GLY 23 23 27782 1 . ASP 24 24 27782 1 . GLY 25 25 27782 1 . THR 26 26 27782 1 . ILE 27 27 27782 1 . THR 28 28 27782 1 . THR 29 29 27782 1 . LYS 30 30 27782 1 . GLU 31 31 27782 1 . LEU 32 32 27782 1 . GLY 33 33 27782 1 . THR 34 34 27782 1 . VAL 35 35 27782 1 . MET 36 36 27782 1 . ARG 37 37 27782 1 . SER 38 38 27782 1 . LEU 39 39 27782 1 . GLY 40 40 27782 1 . GLN 41 41 27782 1 . ASN 42 42 27782 1 . PRO 43 43 27782 1 . THR 44 44 27782 1 . GLU 45 45 27782 1 . ALA 46 46 27782 1 . GLU 47 47 27782 1 . LEU 48 48 27782 1 . GLN 49 49 27782 1 . ASP 50 50 27782 1 . MET 51 51 27782 1 . ILE 52 52 27782 1 . ASN 53 53 27782 1 . GLU 54 54 27782 1 . VAL 55 55 27782 1 . ASP 56 56 27782 1 . ALA 57 57 27782 1 . ASP 58 58 27782 1 . GLY 59 59 27782 1 . ASN 60 60 27782 1 . GLY 61 61 27782 1 . THR 62 62 27782 1 . ILE 63 63 27782 1 . ASP 64 64 27782 1 . PHE 65 65 27782 1 . PRO 66 66 27782 1 . GLU 67 67 27782 1 . PHE 68 68 27782 1 . LEU 69 69 27782 1 . THR 70 70 27782 1 . MET 71 71 27782 1 . MET 72 72 27782 1 . ALA 73 73 27782 1 . ARG 74 74 27782 1 . LYS 75 75 27782 1 . MET 76 76 27782 1 . LYS 77 77 27782 1 . ASP 78 78 27782 1 . THR 79 79 27782 1 . ASP 80 80 27782 1 . SER 81 81 27782 1 . GLU 82 82 27782 1 . GLU 83 83 27782 1 . GLU 84 84 27782 1 . ILE 85 85 27782 1 . ARG 86 86 27782 1 . GLU 87 87 27782 1 . ALA 88 88 27782 1 . PHE 89 89 27782 1 . ARG 90 90 27782 1 . VAL 91 91 27782 1 . PHE 92 92 27782 1 . ASP 93 93 27782 1 . LYS 94 94 27782 1 . ASP 95 95 27782 1 . GLY 96 96 27782 1 . ASN 97 97 27782 1 . GLY 98 98 27782 1 . TYR 99 99 27782 1 . ILE 100 100 27782 1 . SER 101 101 27782 1 . ALA 102 102 27782 1 . ALA 103 103 27782 1 . GLU 104 104 27782 1 . LEU 105 105 27782 1 . ARG 106 106 27782 1 . HIS 107 107 27782 1 . VAL 108 108 27782 1 . MET 109 109 27782 1 . THR 110 110 27782 1 . ASN 111 111 27782 1 . LEU 112 112 27782 1 . GLY 113 113 27782 1 . GLU 114 114 27782 1 . LYS 115 115 27782 1 . LEU 116 116 27782 1 . THR 117 117 27782 1 . ASP 118 118 27782 1 . GLU 119 119 27782 1 . GLU 120 120 27782 1 . VAL 121 121 27782 1 . ASP 122 122 27782 1 . GLU 123 123 27782 1 . MET 124 124 27782 1 . ILE 125 125 27782 1 . ARG 126 126 27782 1 . GLU 127 127 27782 1 . ALA 128 128 27782 1 . ASP 129 129 27782 1 . ILE 130 130 27782 1 . ASP 131 131 27782 1 . GLY 132 132 27782 1 . ASP 133 133 27782 1 . GLY 134 134 27782 1 . GLN 135 135 27782 1 . VAL 136 136 27782 1 . ASN 137 137 27782 1 . TYR 138 138 27782 1 . GLU 139 139 27782 1 . GLU 140 140 27782 1 . PHE 141 141 27782 1 . VAL 142 142 27782 1 . GLN 143 143 27782 1 . MET 144 144 27782 1 . MET 145 145 27782 1 . THR 146 146 27782 1 . ALA 147 147 27782 1 . LYS 148 148 27782 1 stop_ save_ save_CaMBP2 _Entity.Sf_category entity _Entity.Sf_framecode CaMBP2 _Entity.Entry_ID 27782 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CaMBP2 _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 ; VSNAKRARAHWQLLYTLVNN PSLVGSR ; _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 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . VAL . 27782 2 2 . SER . 27782 2 3 . ASN . 27782 2 4 . ALA . 27782 2 5 . LYS . 27782 2 6 . ARG . 27782 2 7 . ALA . 27782 2 8 . ARG . 27782 2 9 . ALA . 27782 2 10 . HIS . 27782 2 11 . TRP . 27782 2 12 . GLN . 27782 2 13 . LEU . 27782 2 14 . LEU . 27782 2 15 . TYR . 27782 2 16 . THR . 27782 2 17 . LEU . 27782 2 18 . VAL . 27782 2 19 . ASN . 27782 2 20 . ASN . 27782 2 21 . PRO . 27782 2 22 . SER . 27782 2 23 . LEU . 27782 2 24 . VAL . 27782 2 25 . GLY . 27782 2 26 . SER . 27782 2 27 . ARG . 27782 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 27782 2 . SER 2 2 27782 2 . ASN 3 3 27782 2 . ALA 4 4 27782 2 . LYS 5 5 27782 2 . ARG 6 6 27782 2 . ALA 7 7 27782 2 . ARG 8 8 27782 2 . ALA 9 9 27782 2 . HIS 10 10 27782 2 . TRP 11 11 27782 2 . GLN 12 12 27782 2 . LEU 13 13 27782 2 . LEU 14 14 27782 2 . TYR 15 15 27782 2 . THR 16 16 27782 2 . LEU 17 17 27782 2 . VAL 18 18 27782 2 . ASN 19 19 27782 2 . ASN 20 20 27782 2 . PRO 21 21 27782 2 . SER 22 22 27782 2 . LEU 23 23 27782 2 . VAL 24 24 27782 2 . GLY 25 25 27782 2 . SER 26 26 27782 2 . ARG 27 27 27782 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27782 _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 $Calmodulin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27782 1 2 2 $CaMBP2 . 7955 organism . 'Danio rerio' zebrafish . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . . . 27782 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 27782 _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 $Calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24 . . . 27782 1 2 2 $CaMBP2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 27782 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27782 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Calmodulin '[U-13C; U-15N]' . . 1 $Calmodulin . . 0.25 . . mM . . . . 27782 1 2 CaMBP2 'natural abundance' . . 2 $CaMBP2 . . 0.25 . . mM . . . . 27782 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27782 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27782 1 5 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 27782 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 27782 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 27782 _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' 80 . mM 27782 1 pH 7.4 . pH 27782 1 pressure 1 . atm 27782 1 temperature 298 . K 27782 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27782 _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' . . 27782 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27782 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 27782 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27782 _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 Bruker 'Avance III' . 950 . . . 27782 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 27782 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27782 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27782 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27782 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27782 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27782 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27782 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 27782 _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 TSP 'methyl carbon' . . . . na 0.00 external indirect 0.251449530 . . . . . 27782 1 H 1 TSP protons . . . . ppm 0.00 external indirect 1.0 . . . . . 27782 1 N 15 TSP nitrogen . . . . na 0.00 external indirect 0.101329118 . . . . . 27782 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 27782 _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' . . . 27782 1 2 '3D HNCA' . . . 27782 1 3 '3D HNCACB' . . . 27782 1 4 '3D HNCO' . . . 27782 1 5 '3D CBCA(CO)NH' . . . 27782 1 6 '3D HN(CO)CA' . . . 27782 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 3 3 GLN H H 1 8.26 . . 1 . . . . . 3 GLN H . 27782 1 2 . 1 1 3 3 GLN C C 13 175.23 . . 1 . . . . . 3 GLN C . 27782 1 3 . 1 1 3 3 GLN CA C 13 55.12 . . 1 . . . . . 3 GLN CA . 27782 1 4 . 1 1 3 3 GLN N N 15 120.28 . . 1 . . . . . 3 GLN N . 27782 1 5 . 1 1 4 4 LEU H H 1 8.27 . . 1 . . . . . 4 LEU H . 27782 1 6 . 1 1 4 4 LEU C C 13 176.93 . . 1 . . . . . 4 LEU C . 27782 1 7 . 1 1 4 4 LEU CA C 13 53.86 . . 1 . . . . . 4 LEU CA . 27782 1 8 . 1 1 4 4 LEU N N 15 123.67 . . 1 . . . . . 4 LEU N . 27782 1 9 . 1 1 5 5 THR H H 1 8.64 . . 1 . . . . . 5 THR H . 27782 1 10 . 1 1 5 5 THR C C 13 174.98 . . 1 . . . . . 5 THR C . 27782 1 11 . 1 1 5 5 THR CA C 13 59.92 . . 1 . . . . . 5 THR CA . 27782 1 12 . 1 1 5 5 THR N N 15 113.38 . . 1 . . . . . 5 THR N . 27782 1 13 . 1 1 6 6 GLU H H 1 9.00 . . 1 . . . . . 6 GLU H . 27782 1 14 . 1 1 6 6 GLU C C 13 179.12 . . 1 . . . . . 6 GLU C . 27782 1 15 . 1 1 6 6 GLU CA C 13 59.77 . . 1 . . . . . 6 GLU CA . 27782 1 16 . 1 1 6 6 GLU N N 15 121.26 . . 1 . . . . . 6 GLU N . 27782 1 17 . 1 1 7 7 GLU H H 1 8.70 . . 1 . . . . . 7 GLU H . 27782 1 18 . 1 1 7 7 GLU C C 13 180.67 . . 1 . . . . . 7 GLU C . 27782 1 19 . 1 1 7 7 GLU CA C 13 59.60 . . 1 . . . . . 7 GLU CA . 27782 1 20 . 1 1 7 7 GLU N N 15 120.44 . . 1 . . . . . 7 GLU N . 27782 1 21 . 1 1 8 8 GLN H H 1 7.74 . . 1 . . . . . 8 GLN H . 27782 1 22 . 1 1 8 8 GLN C C 13 178.91 . . 1 . . . . . 8 GLN C . 27782 1 23 . 1 1 8 8 GLN CA C 13 59.24 . . 1 . . . . . 8 GLN CA . 27782 1 24 . 1 1 8 8 GLN N N 15 120.57 . . 1 . . . . . 8 GLN N . 27782 1 25 . 1 1 9 9 ILE H H 1 8.14 . . 1 . . . . . 9 ILE H . 27782 1 26 . 1 1 9 9 ILE C C 13 178.69 . . 1 . . . . . 9 ILE C . 27782 1 27 . 1 1 9 9 ILE CA C 13 66.23 . . 1 . . . . . 9 ILE CA . 27782 1 28 . 1 1 9 9 ILE N N 15 120.69 . . 1 . . . . . 9 ILE N . 27782 1 29 . 1 1 10 10 ALA H H 1 7.94 . . 1 . . . . . 10 ALA H . 27782 1 30 . 1 1 10 10 ALA C C 13 177.45 . . 1 . . . . . 10 ALA C . 27782 1 31 . 1 1 10 10 ALA CA C 13 54.93 . . 1 . . . . . 10 ALA CA . 27782 1 32 . 1 1 10 10 ALA N N 15 122.12 . . 1 . . . . . 10 ALA N . 27782 1 33 . 1 1 11 11 GLU H H 1 7.70 . . 1 . . . . . 11 GLU H . 27782 1 34 . 1 1 11 11 GLU C C 13 177.95 . . 1 . . . . . 11 GLU C . 27782 1 35 . 1 1 11 11 GLU CA C 13 58.63 . . 1 . . . . . 11 GLU CA . 27782 1 36 . 1 1 11 11 GLU N N 15 119.66 . . 1 . . . . . 11 GLU N . 27782 1 37 . 1 1 12 12 PHE H H 1 8.34 . . 1 . . . . . 12 PHE H . 27782 1 38 . 1 1 12 12 PHE C C 13 178.24 . . 1 . . . . . 12 PHE C . 27782 1 39 . 1 1 12 12 PHE CA C 13 59.00 . . 1 . . . . . 12 PHE CA . 27782 1 40 . 1 1 12 12 PHE N N 15 120.5 . . 1 . . . . . 12 PHE N . 27782 1 41 . 1 1 13 13 LYS H H 1 9.19 . . 1 . . . . . 13 LYS H . 27782 1 42 . 1 1 13 13 LYS C C 13 180.57 . . 1 . . . . . 13 LYS C . 27782 1 43 . 1 1 13 13 LYS CA C 13 59.41 . . 1 . . . . . 13 LYS CA . 27782 1 44 . 1 1 13 13 LYS N N 15 124.78 . . 1 . . . . . 13 LYS N . 27782 1 45 . 1 1 14 14 GLU H H 1 7.76 . . 1 . . . . . 14 GLU H . 27782 1 46 . 1 1 14 14 GLU C C 13 178.66 . . 1 . . . . . 14 GLU C . 27782 1 47 . 1 1 14 14 GLU CA C 13 59.00 . . 1 . . . . . 14 GLU CA . 27782 1 48 . 1 1 14 14 GLU N N 15 119.88 . . 1 . . . . . 14 GLU N . 27782 1 49 . 1 1 15 15 ALA H H 1 7.95 . . 1 . . . . . 15 ALA H . 27782 1 50 . 1 1 15 15 ALA C C 13 176.32 . . 1 . . . . . 15 ALA C . 27782 1 51 . 1 1 15 15 ALA CA C 13 54.95 . . 1 . . . . . 15 ALA CA . 27782 1 52 . 1 1 15 15 ALA N N 15 122.12 . . 1 . . . . . 15 ALA N . 27782 1 53 . 1 1 16 16 PHE H H 1 8.88 . . 1 . . . . . 16 PHE H . 27782 1 54 . 1 1 16 16 PHE C C 13 177.74 . . 1 . . . . . 16 PHE C . 27782 1 55 . 1 1 16 16 PHE CA C 13 62.23 . . 1 . . . . . 16 PHE CA . 27782 1 56 . 1 1 16 16 PHE N N 15 120.39 . . 1 . . . . . 16 PHE N . 27782 1 57 . 1 1 17 17 SER H H 1 7.89 . . 1 . . . . . 17 SER H . 27782 1 58 . 1 1 17 17 SER C C 13 174.10 . . 1 . . . . . 17 SER C . 27782 1 59 . 1 1 17 17 SER CA C 13 61.16 . . 1 . . . . . 17 SER CA . 27782 1 60 . 1 1 17 17 SER N N 15 113.83 . . 1 . . . . . 17 SER N . 27782 1 61 . 1 1 18 18 LEU H H 1 7.21 . . 1 . . . . . 18 LEU H . 27782 1 62 . 1 1 18 18 LEU C C 13 176.50 . . 1 . . . . . 18 LEU C . 27782 1 63 . 1 1 18 18 LEU CA C 13 53.23 . . 1 . . . . . 18 LEU CA . 27782 1 64 . 1 1 18 18 LEU N N 15 122.19 . . 1 . . . . . 18 LEU N . 27782 1 65 . 1 1 19 19 PHE H H 1 7.40 . . 1 . . . . . 19 PHE H . 27782 1 66 . 1 1 19 19 PHE C C 13 176.18 . . 1 . . . . . 19 PHE C . 27782 1 67 . 1 1 19 19 PHE N N 15 114.5 . . 1 . . . . . 19 PHE N . 27782 1 68 . 1 1 20 20 ASP H H 1 7.74 . . 1 . . . . . 20 ASP H . 27782 1 69 . 1 1 20 20 ASP C C 13 176.47 . . 1 . . . . . 20 ASP C . 27782 1 70 . 1 1 20 20 ASP CA C 13 51.87 . . 1 . . . . . 20 ASP CA . 27782 1 71 . 1 1 20 20 ASP N N 15 118.38 . . 1 . . . . . 20 ASP N . 27782 1 72 . 1 1 21 21 LYS H H 1 7.46 . . 1 . . . . . 21 LYS H . 27782 1 73 . 1 1 21 21 LYS C C 13 177.63 . . 1 . . . . . 21 LYS C . 27782 1 74 . 1 1 21 21 LYS CA C 13 57.87 . . 1 . . . . . 21 LYS CA . 27782 1 75 . 1 1 21 21 LYS N N 15 125.26 . . 1 . . . . . 21 LYS N . 27782 1 76 . 1 1 22 22 ASP H H 1 8.03 . . 1 . . . . . 22 ASP H . 27782 1 77 . 1 1 22 22 ASP C C 13 172.86 . . 1 . . . . . 22 ASP C . 27782 1 78 . 1 1 22 22 ASP CA C 13 52.38 . . 1 . . . . . 22 ASP CA . 27782 1 79 . 1 1 22 22 ASP N N 15 114.88 . . 1 . . . . . 22 ASP N . 27782 1 80 . 1 1 23 23 GLY H H 1 7.64 . . 1 . . . . . 23 GLY H . 27782 1 81 . 1 1 23 23 GLY C C 13 174.63 . . 1 . . . . . 23 GLY C . 27782 1 82 . 1 1 23 23 GLY CA C 13 46.76 . . 1 . . . . . 23 GLY CA . 27782 1 83 . 1 1 23 23 GLY N N 15 110.15 . . 1 . . . . . 23 GLY N . 27782 1 84 . 1 1 24 24 ASP H H 1 8.32 . . 1 . . . . . 24 ASP H . 27782 1 85 . 1 1 24 24 ASP C C 13 176.89 . . 1 . . . . . 24 ASP C . 27782 1 86 . 1 1 24 24 ASP CA C 13 52.31 . . 1 . . . . . 24 ASP CA . 27782 1 87 . 1 1 24 24 ASP N N 15 120.77 . . 1 . . . . . 24 ASP N . 27782 1 88 . 1 1 25 25 GLY H H 1 10.54 . . 1 . . . . . 25 GLY H . 27782 1 89 . 1 1 25 25 GLY C C 13 173.45 . . 1 . . . . . 25 GLY C . 27782 1 90 . 1 1 25 25 GLY CA C 13 44.91 . . 1 . . . . . 25 GLY CA . 27782 1 91 . 1 1 25 25 GLY N N 15 113.76 . . 1 . . . . . 25 GLY N . 27782 1 92 . 1 1 26 26 THR H H 1 8.13 . . 1 . . . . . 26 THR H . 27782 1 93 . 1 1 26 26 THR C C 13 172.79 . . 1 . . . . . 26 THR C . 27782 1 94 . 1 1 26 26 THR CA C 13 59.05 . . 1 . . . . . 26 THR CA . 27782 1 95 . 1 1 26 26 THR N N 15 112.94 . . 1 . . . . . 26 THR N . 27782 1 96 . 1 1 27 27 ILE H H 1 9.86 . . 1 . . . . . 27 ILE H . 27782 1 97 . 1 1 27 27 ILE C C 13 175.65 . . 1 . . . . . 27 ILE C . 27782 1 98 . 1 1 27 27 ILE CA C 13 60.28 . . 1 . . . . . 27 ILE CA . 27782 1 99 . 1 1 27 27 ILE N N 15 127.34 . . 1 . . . . . 27 ILE N . 27782 1 100 . 1 1 28 28 THR H H 1 8.35 . . 1 . . . . . 28 THR H . 27782 1 101 . 1 1 28 28 THR C C 13 176.33 . . 1 . . . . . 28 THR C . 27782 1 102 . 1 1 28 28 THR CA C 13 59.00 . . 1 . . . . . 28 THR CA . 27782 1 103 . 1 1 28 28 THR N N 15 117.38 . . 1 . . . . . 28 THR N . 27782 1 104 . 1 1 29 29 THR H H 1 9.20 . . 1 . . . . . 29 THR H . 27782 1 105 . 1 1 29 29 THR C C 13 179.46 . . 1 . . . . . 29 THR C . 27782 1 106 . 1 1 29 29 THR CA C 13 65.99 . . 1 . . . . . 29 THR CA . 27782 1 107 . 1 1 29 29 THR N N 15 113.38 . . 1 . . . . . 29 THR N . 27782 1 108 . 1 1 30 30 LYS H H 1 7.59 . . 1 . . . . . 30 LYS H . 27782 1 109 . 1 1 30 30 LYS C C 13 178.76 . . 1 . . . . . 30 LYS C . 27782 1 110 . 1 1 30 30 LYS CA C 13 58.89 . . 1 . . . . . 30 LYS CA . 27782 1 111 . 1 1 30 30 LYS N N 15 122.19 . . 1 . . . . . 30 LYS N . 27782 1 112 . 1 1 31 31 GLU H H 1 7.71 . . 1 . . . . . 31 GLU H . 27782 1 113 . 1 1 31 31 GLU C C 13 178.98 . . 1 . . . . . 31 GLU C . 27782 1 114 . 1 1 31 31 GLU CA C 13 59.10 . . 1 . . . . . 31 GLU CA . 27782 1 115 . 1 1 31 31 GLU N N 15 122.43 . . 1 . . . . . 31 GLU N . 27782 1 116 . 1 1 32 32 LEU H H 1 8.59 . . 1 . . . . . 32 LEU H . 27782 1 117 . 1 1 32 32 LEU C C 13 178.45 . . 1 . . . . . 32 LEU C . 27782 1 118 . 1 1 32 32 LEU CA C 13 57.35 . . 1 . . . . . 32 LEU CA . 27782 1 119 . 1 1 32 32 LEU N N 15 121.30 . . 1 . . . . . 32 LEU N . 27782 1 120 . 1 1 33 33 GLY H H 1 8.71 . . 1 . . . . . 33 GLY H . 27782 1 121 . 1 1 33 33 GLY C C 13 174.56 . . 1 . . . . . 33 GLY C . 27782 1 122 . 1 1 33 33 GLY CA C 13 47.94 . . 1 . . . . . 33 GLY CA . 27782 1 123 . 1 1 33 33 GLY N N 15 107.74 . . 1 . . . . . 33 GLY N . 27782 1 124 . 1 1 34 34 THR H H 1 7.90 . . 1 . . . . . 34 THR H . 27782 1 125 . 1 1 34 34 THR C C 13 176.57 . . 1 . . . . . 34 THR C . 27782 1 126 . 1 1 34 34 THR CA C 13 66.50 . . 1 . . . . . 34 THR CA . 27782 1 127 . 1 1 34 34 THR N N 15 119.18 . . 1 . . . . . 34 THR N . 27782 1 128 . 1 1 35 35 VAL H H 1 7.45 . . 1 . . . . . 35 VAL H . 27782 1 129 . 1 1 35 35 VAL C C 13 177.60 . . 1 . . . . . 35 VAL C . 27782 1 130 . 1 1 35 35 VAL CA C 13 65.78 . . 1 . . . . . 35 VAL CA . 27782 1 131 . 1 1 35 35 VAL N N 15 122.58 . . 1 . . . . . 35 VAL N . 27782 1 132 . 1 1 36 36 MET H H 1 8.45 . . 1 . . . . . 36 MET H . 27782 1 133 . 1 1 36 36 MET C C 13 178.06 . . 1 . . . . . 36 MET C . 27782 1 134 . 1 1 36 36 MET CA C 13 59.72 . . 1 . . . . . 36 MET CA . 27782 1 135 . 1 1 36 36 MET N N 15 118.66 . . 1 . . . . . 36 MET N . 27782 1 136 . 1 1 37 37 ARG H H 1 8.53 . . 1 . . . . . 37 ARG H . 27782 1 137 . 1 1 37 37 ARG C C 13 180.78 . . 1 . . . . . 37 ARG C . 27782 1 138 . 1 1 37 37 ARG CA C 13 59.50 . . 1 . . . . . 37 ARG CA . 27782 1 139 . 1 1 37 37 ARG N N 15 119.93 . . 1 . . . . . 37 ARG N . 27782 1 140 . 1 1 38 38 SER H H 1 7.94 . . 1 . . . . . 38 SER H . 27782 1 141 . 1 1 38 38 SER CA C 13 61.20 . . 1 . . . . . 38 SER CA . 27782 1 142 . 1 1 38 38 SER N N 15 120.17 . . 1 . . . . . 38 SER N . 27782 1 143 . 1 1 39 39 LEU H H 1 7.43 . . 1 . . . . . 39 LEU H . 27782 1 144 . 1 1 39 39 LEU C C 13 176.50 . . 1 . . . . . 39 LEU C . 27782 1 145 . 1 1 39 39 LEU CA C 13 56.53 . . 1 . . . . . 39 LEU CA . 27782 1 146 . 1 1 39 39 LEU N N 15 121.39 . . 1 . . . . . 39 LEU N . 27782 1 147 . 1 1 40 40 GLY H H 1 7.87 . . 1 . . . . . 40 GLY H . 27782 1 148 . 1 1 40 40 GLY C C 13 173.71 . . 1 . . . . . 40 GLY C . 27782 1 149 . 1 1 40 40 GLY CA C 13 45.22 . . 1 . . . . . 40 GLY CA . 27782 1 150 . 1 1 40 40 GLY N N 15 107.90 . . 1 . . . . . 40 GLY N . 27782 1 151 . 1 1 41 41 GLN H H 1 7.65 . . 1 . . . . . 41 GLN H . 27782 1 152 . 1 1 41 41 GLN C C 13 173.53 . . 1 . . . . . 41 GLN C . 27782 1 153 . 1 1 41 41 GLN CA C 13 52.80 . . 1 . . . . . 41 GLN CA . 27782 1 154 . 1 1 41 41 GLN N N 15 118.00 . . 1 . . . . . 41 GLN N . 27782 1 155 . 1 1 42 42 ASN H H 1 8.62 . . 1 . . . . . 42 ASN H . 27782 1 156 . 1 1 42 42 ASN CA C 13 50.51 . . 1 . . . . . 42 ASN CA . 27782 1 157 . 1 1 42 42 ASN N N 15 117.60 . . 1 . . . . . 42 ASN N . 27782 1 158 . 1 1 43 43 PRO C C 13 177.00 . . 1 . . . . . 43 PRO C . 27782 1 159 . 1 1 44 44 THR H H 1 8.65 . . 1 . . . . . 44 THR H . 27782 1 160 . 1 1 44 44 THR C C 13 174.00 . . 1 . . . . . 44 THR C . 27782 1 161 . 1 1 44 44 THR CA C 13 59.96 . . 1 . . . . . 44 THR CA . 27782 1 162 . 1 1 44 44 THR N N 15 113.68 . . 1 . . . . . 44 THR N . 27782 1 163 . 1 1 45 45 GLU H H 1 8.65 . . 1 . . . . . 45 GLU H . 27782 1 164 . 1 1 45 45 GLU C C 13 178.66 . . 1 . . . . . 45 GLU C . 27782 1 165 . 1 1 45 45 GLU CA C 13 59.51 . . 1 . . . . . 45 GLU CA . 27782 1 166 . 1 1 45 45 GLU N N 15 121.85 . . 1 . . . . . 45 GLU N . 27782 1 167 . 1 1 46 46 ALA C C 13 177.67 . . 1 . . . . . 46 ALA C . 27782 1 168 . 1 1 46 46 ALA CA C 13 54.63 . . 1 . . . . . 46 ALA CA . 27782 1 169 . 1 1 46 46 ALA N N 15 121.90 . . 1 . . . . . 46 ALA N . 27782 1 170 . 1 1 47 47 GLU H H 1 7.69 . . 1 . . . . . 47 GLU H . 27782 1 171 . 1 1 47 47 GLU C C 13 178.91 . . 1 . . . . . 47 GLU C . 27782 1 172 . 1 1 47 47 GLU CA C 13 58.62 . . 1 . . . . . 47 GLU CA . 27782 1 173 . 1 1 47 47 GLU N N 15 118.90 . . 1 . . . . . 47 GLU N . 27782 1 174 . 1 1 48 48 LEU H H 1 8.17 . . 1 . . . . . 48 LEU H . 27782 1 175 . 1 1 48 48 LEU C C 13 178.41 . . 1 . . . . . 48 LEU C . 27782 1 176 . 1 1 48 48 LEU CA C 13 58.84 . . 1 . . . . . 48 LEU CA . 27782 1 177 . 1 1 48 48 LEU N N 15 120.79 . . 1 . . . . . 48 LEU N . 27782 1 178 . 1 1 49 49 GLN H H 1 8.28 . . 1 . . . . . 49 GLN H . 27782 1 179 . 1 1 49 49 GLN C C 13 178.91 . . 1 . . . . . 49 GLN C . 27782 1 180 . 1 1 49 49 GLN CA C 13 58.82 . . 1 . . . . . 49 GLN CA . 27782 1 181 . 1 1 49 49 GLN N N 15 118.93 . . 1 . . . . . 49 GLN N . 27782 1 182 . 1 1 50 50 ASP H H 1 8.23 . . 1 . . . . . 50 ASP H . 27782 1 183 . 1 1 50 50 ASP CA C 13 55.30 . . 1 . . . . . 50 ASP CA . 27782 1 184 . 1 1 50 50 ASP N N 15 120.13 . . 1 . . . . . 50 ASP N . 27782 1 185 . 1 1 51 51 MET H H 1 7.94 . . 1 . . . . . 51 MET H . 27782 1 186 . 1 1 51 51 MET N N 15 120.14 . . 1 . . . . . 51 MET N . 27782 1 187 . 1 1 52 52 ILE H H 1 7.53 . . 1 . . . . . 52 ILE H . 27782 1 188 . 1 1 52 52 ILE N N 15 119.26 . . 1 . . . . . 52 ILE N . 27782 1 189 . 1 1 53 53 ASN H H 1 8.79 . . 1 . . . . . 53 ASN H . 27782 1 190 . 1 1 53 53 ASN C C 13 176.50 . . 1 . . . . . 53 ASN C . 27782 1 191 . 1 1 53 53 ASN CA C 13 55.24 . . 1 . . . . . 53 ASN CA . 27782 1 192 . 1 1 53 53 ASN N N 15 118.91 . . 1 . . . . . 53 ASN N . 27782 1 193 . 1 1 54 54 GLU H H 1 7.45 . . 1 . . . . . 54 GLU H . 27782 1 194 . 1 1 54 54 GLU CA C 13 58.27 . . 1 . . . . . 54 GLU CA . 27782 1 195 . 1 1 54 54 GLU N N 15 117.20 . . 1 . . . . . 54 GLU N . 27782 1 196 . 1 1 56 56 ASP H H 1 7.71 . . 1 . . . . . 56 ASP H . 27782 1 197 . 1 1 56 56 ASP C C 13 175.30 . . 1 . . . . . 56 ASP C . 27782 1 198 . 1 1 56 56 ASP CA C 13 53.6 . . 1 . . . . . 56 ASP CA . 27782 1 199 . 1 1 56 56 ASP N N 15 122.43 . . 1 . . . . . 56 ASP N . 27782 1 200 . 1 1 57 57 ALA H H 1 8.38 . . 1 . . . . . 57 ALA H . 27782 1 201 . 1 1 57 57 ALA C C 13 177.95 . . 1 . . . . . 57 ALA C . 27782 1 202 . 1 1 57 57 ALA CA C 13 53.70 . . 1 . . . . . 57 ALA CA . 27782 1 203 . 1 1 57 57 ALA N N 15 132.65 . . 1 . . . . . 57 ALA N . 27782 1 204 . 1 1 58 58 ASP H H 1 8.14 . . 1 . . . . . 58 ASP H . 27782 1 205 . 1 1 58 58 ASP C C 13 177.42 . . 1 . . . . . 58 ASP C . 27782 1 206 . 1 1 58 58 ASP CA C 13 52.21 . . 1 . . . . . 58 ASP CA . 27782 1 207 . 1 1 58 58 ASP N N 15 114.74 . . 1 . . . . . 58 ASP N . 27782 1 208 . 1 1 59 59 GLY H H 1 7.50 . . 1 . . . . . 59 GLY H . 27782 1 209 . 1 1 59 59 GLY C C 13 174.85 . . 1 . . . . . 59 GLY C . 27782 1 210 . 1 1 59 59 GLY CA C 13 46.70 . . 1 . . . . . 59 GLY CA . 27782 1 211 . 1 1 59 59 GLY N N 15 109.36 . . 1 . . . . . 59 GLY N . 27782 1 212 . 1 1 60 60 ASN H H 1 8.11 . . 1 . . . . . 60 ASN H . 27782 1 213 . 1 1 60 60 ASN C C 13 176.36 . . 1 . . . . . 60 ASN C . 27782 1 214 . 1 1 60 60 ASN CA C 13 52.16 . . 1 . . . . . 60 ASN CA . 27782 1 215 . 1 1 60 60 ASN N N 15 119.51 . . 1 . . . . . 60 ASN N . 27782 1 216 . 1 1 61 61 GLY H H 1 10.47 . . 1 . . . . . 61 GLY H . 27782 1 217 . 1 1 61 61 GLY C C 13 172.79 . . 1 . . . . . 61 GLY C . 27782 1 218 . 1 1 61 61 GLY CA C 13 45.27 . . 1 . . . . . 61 GLY CA . 27782 1 219 . 1 1 61 61 GLY N N 15 113.87 . . 1 . . . . . 61 GLY N . 27782 1 220 . 1 1 62 62 THR H H 1 7.64 . . 1 . . . . . 62 THR H . 27782 1 221 . 1 1 62 62 THR C C 13 172.89 . . 1 . . . . . 62 THR C . 27782 1 222 . 1 1 62 62 THR CA C 13 59.09 . . 1 . . . . . 62 THR CA . 27782 1 223 . 1 1 62 62 THR N N 15 109.49 . . 1 . . . . . 62 THR N . 27782 1 224 . 1 1 63 63 ILE H H 1 8.80 . . 1 . . . . . 63 ILE H . 27782 1 225 . 1 1 63 63 ILE C C 13 175.16 . . 1 . . . . . 63 ILE C . 27782 1 226 . 1 1 63 63 ILE CA C 13 59.92 . . 1 . . . . . 63 ILE CA . 27782 1 227 . 1 1 63 63 ILE N N 15 124.24 . . 1 . . . . . 63 ILE N . 27782 1 228 . 1 1 64 64 ASP H H 1 8.98 . . 1 . . . . . 64 ASP H . 27782 1 229 . 1 1 64 64 ASP C C 13 179.05 . . 1 . . . . . 64 ASP C . 27782 1 230 . 1 1 64 64 ASP CA C 13 51.75 . . 1 . . . . . 64 ASP CA . 27782 1 231 . 1 1 64 64 ASP N N 15 129.42 . . 1 . . . . . 64 ASP N . 27782 1 232 . 1 1 65 65 PHE H H 1 8.68 . . 1 . . . . . 65 PHE H . 27782 1 233 . 1 1 65 65 PHE CA C 13 61.86 . . 1 . . . . . 65 PHE CA . 27782 1 234 . 1 1 65 65 PHE N N 15 119.46 . . 1 . . . . . 65 PHE N . 27782 1 235 . 1 1 67 67 GLU H H 1 8.02 . . 1 . . . . . 67 GLU H . 27782 1 236 . 1 1 67 67 GLU C C 13 174.49 . . 1 . . . . . 67 GLU C . 27782 1 237 . 1 1 67 67 GLU CA C 13 59.84 . . 1 . . . . . 67 GLU CA . 27782 1 238 . 1 1 67 67 GLU N N 15 119.5 . . 1 . . . . . 67 GLU N . 27782 1 239 . 1 1 68 68 PHE H H 1 8.84 . . 1 . . . . . 68 PHE H . 27782 1 240 . 1 1 68 68 PHE C C 13 179.01 . . 1 . . . . . 68 PHE C . 27782 1 241 . 1 1 68 68 PHE CA C 13 59.41 . . 1 . . . . . 68 PHE CA . 27782 1 242 . 1 1 68 68 PHE N N 15 124.11 . . 1 . . . . . 68 PHE N . 27782 1 243 . 1 1 69 69 LEU H H 1 8.58 . . 1 . . . . . 69 LEU H . 27782 1 244 . 1 1 69 69 LEU C C 13 178.24 . . 1 . . . . . 69 LEU C . 27782 1 245 . 1 1 69 69 LEU CA C 13 57.45 . . 1 . . . . . 69 LEU CA . 27782 1 246 . 1 1 69 69 LEU N N 15 121.45 . . 1 . . . . . 69 LEU N . 27782 1 247 . 1 1 70 70 THR H H 1 7.82 . . 1 . . . . . 70 THR H . 27782 1 248 . 1 1 70 70 THR CA C 13 57.09 . . 1 . . . . . 70 THR CA . 27782 1 249 . 1 1 70 70 THR N N 15 116.55 . . 1 . . . . . 70 THR N . 27782 1 250 . 1 1 73 73 ALA H H 1 8.17 . . 1 . . . . . 73 ALA H . 27782 1 251 . 1 1 73 73 ALA N N 15 123.78 . . 1 . . . . . 73 ALA N . 27782 1 252 . 1 1 74 74 ARG H H 1 7.65 . . 1 . . . . . 74 ARG H . 27782 1 253 . 1 1 74 74 ARG N N 15 118.07 . . 1 . . . . . 74 ARG N . 27782 1 254 . 1 1 75 75 LYS H H 1 7.71 . . 1 . . . . . 75 LYS H . 27782 1 255 . 1 1 75 75 LYS N N 15 119.73 . . 1 . . . . . 75 LYS N . 27782 1 256 . 1 1 77 77 LYS H H 1 7.76 . . 1 . . . . . 77 LYS H . 27782 1 257 . 1 1 77 77 LYS C C 13 174.66 . . 1 . . . . . 77 LYS C . 27782 1 258 . 1 1 77 77 LYS CA C 13 59.12 . . 1 . . . . . 77 LYS CA . 27782 1 259 . 1 1 77 77 LYS N N 15 120.55 . . 1 . . . . . 77 LYS N . 27782 1 260 . 1 1 78 78 ASP H H 1 8.38 . . 1 . . . . . 78 ASP H . 27782 1 261 . 1 1 78 78 ASP C C 13 175.44 . . 1 . . . . . 78 ASP C . 27782 1 262 . 1 1 78 78 ASP CA C 13 53.45 . . 1 . . . . . 78 ASP CA . 27782 1 263 . 1 1 78 78 ASP N N 15 121.65 . . 1 . . . . . 78 ASP N . 27782 1 264 . 1 1 79 79 THR H H 1 7.85 . . 1 . . . . . 79 THR H . 27782 1 265 . 1 1 79 79 THR C C 13 174.10 . . 1 . . . . . 79 THR C . 27782 1 266 . 1 1 79 79 THR CA C 13 61.05 . . 1 . . . . . 79 THR CA . 27782 1 267 . 1 1 79 79 THR N N 15 115.68 . . 1 . . . . . 79 THR N . 27782 1 268 . 1 1 80 80 ASP H H 1 8.39 . . 1 . . . . . 80 ASP H . 27782 1 269 . 1 1 80 80 ASP C C 13 175.34 . . 1 . . . . . 80 ASP C . 27782 1 270 . 1 1 80 80 ASP CA C 13 54.12 . . 1 . . . . . 80 ASP CA . 27782 1 271 . 1 1 80 80 ASP N N 15 124.90 . . 1 . . . . . 80 ASP N . 27782 1 272 . 1 1 81 81 SER H H 1 8.56 . . 1 . . . . . 81 SER H . 27782 1 273 . 1 1 81 81 SER C C 13 175.15 . . 1 . . . . . 81 SER C . 27782 1 274 . 1 1 81 81 SER CA C 13 57.09 . . 1 . . . . . 81 SER CA . 27782 1 275 . 1 1 81 81 SER N N 15 118.88 . . 1 . . . . . 81 SER N . 27782 1 276 . 1 1 82 82 GLU H H 1 8.84 . . 1 . . . . . 82 GLU H . 27782 1 277 . 1 1 82 82 GLU C C 13 179.05 . . 1 . . . . . 82 GLU C . 27782 1 278 . 1 1 82 82 GLU CA C 13 59.35 . . 1 . . . . . 82 GLU CA . 27782 1 279 . 1 1 82 82 GLU N N 15 124.05 . . 1 . . . . . 82 GLU N . 27782 1 280 . 1 1 83 83 GLU H H 1 8.61 . . 1 . . . . . 83 GLU H . 27782 1 281 . 1 1 83 83 GLU CA C 13 59.63 . . 1 . . . . . 83 GLU CA . 27782 1 282 . 1 1 83 83 GLU N N 15 120.11 . . 1 . . . . . 83 GLU N . 27782 1 283 . 1 1 85 85 ILE H H 1 8.16 . . 1 . . . . . 85 ILE H . 27782 1 284 . 1 1 85 85 ILE C C 13 178.41 . . 1 . . . . . 85 ILE C . 27782 1 285 . 1 1 85 85 ILE CA C 13 65.42 . . 1 . . . . . 85 ILE CA . 27782 1 286 . 1 1 85 85 ILE N N 15 123.30 . . 1 . . . . . 85 ILE N . 27782 1 287 . 1 1 86 86 ARG H H 1 8.71 . . 1 . . . . . 86 ARG H . 27782 1 288 . 1 1 86 86 ARG C C 13 174.42 . . 1 . . . . . 86 ARG C . 27782 1 289 . 1 1 86 86 ARG CA C 13 59.41 . . 1 . . . . . 86 ARG CA . 27782 1 290 . 1 1 86 86 ARG N N 15 122.12 . . 1 . . . . . 86 ARG N . 27782 1 291 . 1 1 87 87 GLU H H 1 8.11 . . 1 . . . . . 87 GLU H . 27782 1 292 . 1 1 87 87 GLU C C 13 177.24 . . 1 . . . . . 87 GLU C . 27782 1 293 . 1 1 87 87 GLU CA C 13 58.64 . . 1 . . . . . 87 GLU CA . 27782 1 294 . 1 1 87 87 GLU N N 15 119.50 . . 1 . . . . . 87 GLU N . 27782 1 295 . 1 1 88 88 ALA H H 1 7.99 . . 1 . . . . . 88 ALA H . 27782 1 296 . 1 1 88 88 ALA C C 13 179.19 . . 1 . . . . . 88 ALA C . 27782 1 297 . 1 1 88 88 ALA CA C 13 54.88 . . 1 . . . . . 88 ALA CA . 27782 1 298 . 1 1 88 88 ALA N N 15 122.12 . . 1 . . . . . 88 ALA N . 27782 1 299 . 1 1 89 89 PHE H H 1 8.77 . . 1 . . . . . 89 PHE H . 27782 1 300 . 1 1 89 89 PHE C C 13 176.11 . . 1 . . . . . 89 PHE C . 27782 1 301 . 1 1 89 89 PHE CA C 13 62.38 . . 1 . . . . . 89 PHE CA . 27782 1 302 . 1 1 89 89 PHE N N 15 122.12 . . 1 . . . . . 89 PHE N . 27782 1 303 . 1 1 90 90 ARG H H 1 7.79 . . 1 . . . . . 90 ARG H . 27782 1 304 . 1 1 90 90 ARG C C 13 174.38 . . 1 . . . . . 90 ARG C . 27782 1 305 . 1 1 90 90 ARG CA C 13 58.29 . . 1 . . . . . 90 ARG CA . 27782 1 306 . 1 1 90 90 ARG N N 15 116.20 . . 1 . . . . . 90 ARG N . 27782 1 307 . 1 1 91 91 VAL H H 1 7.42 . . 1 . . . . . 91 VAL H . 27782 1 308 . 1 1 91 91 VAL C C 13 176.78 . . 1 . . . . . 91 VAL C . 27782 1 309 . 1 1 91 91 VAL CA C 13 65.37 . . 1 . . . . . 91 VAL CA . 27782 1 310 . 1 1 91 91 VAL N N 15 119.5 . . 1 . . . . . 91 VAL N . 27782 1 311 . 1 1 92 92 PHE H H 1 7.27 . . 1 . . . . . 92 PHE H . 27782 1 312 . 1 1 92 92 PHE C C 13 176.96 . . 1 . . . . . 92 PHE C . 27782 1 313 . 1 1 92 92 PHE CA C 13 60.33 . . 1 . . . . . 92 PHE CA . 27782 1 314 . 1 1 92 92 PHE N N 15 116.5 . . 1 . . . . . 92 PHE N . 27782 1 315 . 1 1 93 93 ASP H H 1 7.92 . . 1 . . . . . 93 ASP H . 27782 1 316 . 1 1 93 93 ASP C C 13 176.86 . . 1 . . . . . 93 ASP C . 27782 1 317 . 1 1 93 93 ASP CA C 13 51.40 . . 1 . . . . . 93 ASP CA . 27782 1 318 . 1 1 93 93 ASP N N 15 116.80 . . 1 . . . . . 93 ASP N . 27782 1 319 . 1 1 94 94 LYS H H 1 7.46 . . 1 . . . . . 94 LYS H . 27782 1 320 . 1 1 94 94 LYS C C 13 177.85 . . 1 . . . . . 94 LYS C . 27782 1 321 . 1 1 94 94 LYS CA C 13 58.87 . . 1 . . . . . 94 LYS CA . 27782 1 322 . 1 1 94 94 LYS N N 15 126.10 . . 1 . . . . . 94 LYS N . 27782 1 323 . 1 1 95 95 ASP H H 1 8.31 . . 1 . . . . . 95 ASP H . 27782 1 324 . 1 1 95 95 ASP C C 13 177.28 . . 1 . . . . . 95 ASP C . 27782 1 325 . 1 1 95 95 ASP CA C 13 52.57 . . 1 . . . . . 95 ASP CA . 27782 1 326 . 1 1 95 95 ASP N N 15 115.08 . . 1 . . . . . 95 ASP N . 27782 1 327 . 1 1 96 96 GLY H H 1 7.80 . . 1 . . . . . 96 GLY H . 27782 1 328 . 1 1 96 96 GLY C C 13 174.70 . . 1 . . . . . 96 GLY C . 27782 1 329 . 1 1 96 96 GLY CA C 13 46.61 . . 1 . . . . . 96 GLY CA . 27782 1 330 . 1 1 96 96 GLY N N 15 110.56 . . 1 . . . . . 96 GLY N . 27782 1 331 . 1 1 97 97 ASN H H 1 8.36 . . 1 . . . . . 97 ASN H . 27782 1 332 . 1 1 97 97 ASN C C 13 175.37 . . 1 . . . . . 97 ASN C . 27782 1 333 . 1 1 97 97 ASN CA C 13 52.20 . . 1 . . . . . 97 ASN CA . 27782 1 334 . 1 1 97 97 ASN N N 15 121.42 . . 1 . . . . . 97 ASN N . 27782 1 335 . 1 1 98 98 GLY H H 1 10.70 . . 1 . . . . . 98 GLY H . 27782 1 336 . 1 1 98 98 GLY C C 13 172.12 . . 1 . . . . . 98 GLY C . 27782 1 337 . 1 1 98 98 GLY CA C 13 44.35 . . 1 . . . . . 98 GLY CA . 27782 1 338 . 1 1 98 98 GLY N N 15 113.71 . . 1 . . . . . 98 GLY N . 27782 1 339 . 1 1 99 99 TYR H H 1 7.60 . . 1 . . . . . 99 TYR H . 27782 1 340 . 1 1 99 99 TYR C C 13 174.24 . . 1 . . . . . 99 TYR C . 27782 1 341 . 1 1 99 99 TYR CA C 13 55.50 . . 1 . . . . . 99 TYR CA . 27782 1 342 . 1 1 99 99 TYR N N 15 117.35 . . 1 . . . . . 99 TYR N . 27782 1 343 . 1 1 100 100 ILE H H 1 10.23 . . 1 . . . . . 100 ILE H . 27782 1 344 . 1 1 100 100 ILE C C 13 175.12 . . 1 . . . . . 100 ILE C . 27782 1 345 . 1 1 100 100 ILE CA C 13 60.84 . . 1 . . . . . 100 ILE CA . 27782 1 346 . 1 1 100 100 ILE N N 15 128.00 . . 1 . . . . . 100 ILE N . 27782 1 347 . 1 1 101 101 SER H H 1 8.84 . . 1 . . . . . 101 SER H . 27782 1 348 . 1 1 101 101 SER C C 13 175.09 . . 1 . . . . . 101 SER C . 27782 1 349 . 1 1 101 101 SER CA C 13 55.62 . . 1 . . . . . 101 SER CA . 27782 1 350 . 1 1 101 101 SER N N 15 124.38 . . 1 . . . . . 101 SER N . 27782 1 351 . 1 1 102 102 ALA H H 1 9.22 . . 1 . . . . . 102 ALA H . 27782 1 352 . 1 1 102 102 ALA C C 13 178.94 . . 1 . . . . . 102 ALA C . 27782 1 353 . 1 1 102 102 ALA CA C 13 55.62 . . 1 . . . . . 102 ALA CA . 27782 1 354 . 1 1 102 102 ALA N N 15 123.95 . . 1 . . . . . 102 ALA N . 27782 1 355 . 1 1 103 103 ALA H H 1 8.24 . . 1 . . . . . 103 ALA H . 27782 1 356 . 1 1 103 103 ALA C C 13 180.71 . . 1 . . . . . 103 ALA C . 27782 1 357 . 1 1 103 103 ALA CA C 13 54.78 . . 1 . . . . . 103 ALA CA . 27782 1 358 . 1 1 103 103 ALA N N 15 119.40 . . 1 . . . . . 103 ALA N . 27782 1 359 . 1 1 104 104 GLU H H 1 7.75 . . 1 . . . . . 104 GLU H . 27782 1 360 . 1 1 104 104 GLU CA C 13 59.12 . . 1 . . . . . 104 GLU CA . 27782 1 361 . 1 1 104 104 GLU N N 15 120.72 . . 1 . . . . . 104 GLU N . 27782 1 362 . 1 1 105 105 LEU H H 1 8.41 . . 1 . . . . . 105 LEU H . 27782 1 363 . 1 1 105 105 LEU N N 15 121.85 . . 1 . . . . . 105 LEU N . 27782 1 364 . 1 1 106 106 ARG H H 1 8.49 . . 1 . . . . . 106 ARG H . 27782 1 365 . 1 1 106 106 ARG N N 15 118.27 . . 1 . . . . . 106 ARG N . 27782 1 366 . 1 1 109 109 MET H H 1 7.91 . . 1 . . . . . 109 MET H . 27782 1 367 . 1 1 109 109 MET C C 13 177.25 . . 1 . . . . . 109 MET C . 27782 1 368 . 1 1 109 109 MET CA C 13 52.97 . . 1 . . . . . 109 MET CA . 27782 1 369 . 1 1 109 109 MET N N 15 115.79 . . 1 . . . . . 109 MET N . 27782 1 370 . 1 1 110 110 THR H H 1 8.11 . . 1 . . . . . 110 THR H . 27782 1 371 . 1 1 110 110 THR C C 13 177.67 . . 1 . . . . . 110 THR C . 27782 1 372 . 1 1 110 110 THR CA C 13 65.94 . . 1 . . . . . 110 THR CA . 27782 1 373 . 1 1 110 110 THR N N 15 116.5 . . 1 . . . . . 110 THR N . 27782 1 374 . 1 1 111 111 ASN H H 1 7.90 . . 1 . . . . . 111 ASN H . 27782 1 375 . 1 1 111 111 ASN C C 13 179.72 . . 1 . . . . . 111 ASN C . 27782 1 376 . 1 1 111 111 ASN CA C 13 55.50 . . 1 . . . . . 111 ASN CA . 27782 1 377 . 1 1 111 111 ASN N N 15 123.71 . . 1 . . . . . 111 ASN N . 27782 1 378 . 1 1 112 112 LEU H H 1 7.67 . . 1 . . . . . 112 LEU H . 27782 1 379 . 1 1 112 112 LEU C C 13 175.87 . . 1 . . . . . 112 LEU C . 27782 1 380 . 1 1 112 112 LEU CA C 13 54.47 . . 1 . . . . . 112 LEU CA . 27782 1 381 . 1 1 112 112 LEU N N 15 119.33 . . 1 . . . . . 112 LEU N . 27782 1 382 . 1 1 113 113 GLY H H 1 7.66 . . 1 . . . . . 113 GLY H . 27782 1 383 . 1 1 113 113 GLY C C 13 178.98 . . 1 . . . . . 113 GLY C . 27782 1 384 . 1 1 113 113 GLY CA C 13 45.22 . . 1 . . . . . 113 GLY CA . 27782 1 385 . 1 1 113 113 GLY N N 15 106.81 . . 1 . . . . . 113 GLY N . 27782 1 386 . 1 1 114 114 GLU H H 1 7.51 . . 1 . . . . . 114 GLU H . 27782 1 387 . 1 1 114 114 GLU C C 13 178.36 . . 1 . . . . . 114 GLU C . 27782 1 388 . 1 1 114 114 GLU CA C 13 54.67 . . 1 . . . . . 114 GLU CA . 27782 1 389 . 1 1 114 114 GLU N N 15 119.51 . . 1 . . . . . 114 GLU N . 27782 1 390 . 1 1 115 115 LYS H H 1 8.67 . . 1 . . . . . 115 LYS H . 27782 1 391 . 1 1 115 115 LYS CA C 13 54.87 . . 1 . . . . . 115 LYS CA . 27782 1 392 . 1 1 115 115 LYS N N 15 122.91 . . 1 . . . . . 115 LYS N . 27782 1 393 . 1 1 118 118 ASP H H 1 8.86 . . 1 . . . . . 118 ASP H . 27782 1 394 . 1 1 118 118 ASP CA C 13 57.79 . . 1 . . . . . 118 ASP CA . 27782 1 395 . 1 1 118 118 ASP N N 15 122.05 . . 1 . . . . . 118 ASP N . 27782 1 396 . 1 1 120 120 GLU H H 1 8.10 . . 1 . . . . . 120 GLU H . 27782 1 397 . 1 1 120 120 GLU N N 15 119.53 . . 1 . . . . . 120 GLU N . 27782 1 398 . 1 1 122 122 ASP H H 1 8.19 . . 1 . . . . . 122 ASP H . 27782 1 399 . 1 1 122 122 ASP N N 15 120.73 . . 1 . . . . . 122 ASP N . 27782 1 400 . 1 1 123 123 GLU H H 1 7.96 . . 1 . . . . . 123 GLU H . 27782 1 401 . 1 1 123 123 GLU N N 15 121.12 . . 1 . . . . . 123 GLU N . 27782 1 402 . 1 1 124 124 MET H H 1 7.64 . . 1 . . . . . 124 MET H . 27782 1 403 . 1 1 124 124 MET N N 15 120.33 . . 1 . . . . . 124 MET N . 27782 1 404 . 1 1 125 125 ILE H H 1 7.80 . . 1 . . . . . 125 ILE H . 27782 1 405 . 1 1 125 125 ILE N N 15 120.59 . . 1 . . . . . 125 ILE N . 27782 1 406 . 1 1 126 126 ARG H H 1 8.26 . . 1 . . . . . 126 ARG H . 27782 1 407 . 1 1 126 126 ARG N N 15 119.53 . . 1 . . . . . 126 ARG N . 27782 1 408 . 1 1 127 127 GLU H H 1 8.11 . . 1 . . . . . 127 GLU H . 27782 1 409 . 1 1 127 127 GLU N N 15 116.47 . . 1 . . . . . 127 GLU N . 27782 1 410 . 1 1 128 128 ALA H H 1 7.15 . . 1 . . . . . 128 ALA H . 27782 1 411 . 1 1 128 128 ALA C C 13 177.32 . . 1 . . . . . 128 ALA C . 27782 1 412 . 1 1 128 128 ALA CA C 13 51.64 . . 1 . . . . . 128 ALA CA . 27782 1 413 . 1 1 128 128 ALA N N 15 118.20 . . 1 . . . . . 128 ALA N . 27782 1 414 . 1 1 129 129 ASP H H 1 7.78 . . 1 . . . . . 129 ASP H . 27782 1 415 . 1 1 129 129 ASP C C 13 175.09 . . 1 . . . . . 129 ASP C . 27782 1 416 . 1 1 129 129 ASP CA C 13 53.70 . . 1 . . . . . 129 ASP CA . 27782 1 417 . 1 1 129 129 ASP N N 15 118.40 . . 1 . . . . . 129 ASP N . 27782 1 418 . 1 1 130 130 ILE H H 1 8.22 . . 1 . . . . . 130 ILE H . 27782 1 419 . 1 1 130 130 ILE C C 13 175.69 . . 1 . . . . . 130 ILE C . 27782 1 420 . 1 1 130 130 ILE CA C 13 63.11 . . 1 . . . . . 130 ILE CA . 27782 1 421 . 1 1 130 130 ILE N N 15 128.81 . . 1 . . . . . 130 ILE N . 27782 1 422 . 1 1 131 131 ASP H H 1 8.32 . . 1 . . . . . 131 ASP H . 27782 1 423 . 1 1 131 131 ASP C C 13 177.70 . . 1 . . . . . 131 ASP C . 27782 1 424 . 1 1 131 131 ASP CA C 13 53.49 . . 1 . . . . . 131 ASP CA . 27782 1 425 . 1 1 131 131 ASP N N 15 117.54 . . 1 . . . . . 131 ASP N . 27782 1 426 . 1 1 132 132 GLY H H 1 7.57 . . 1 . . . . . 132 GLY H . 27782 1 427 . 1 1 132 132 GLY C C 13 174.77 . . 1 . . . . . 132 GLY C . 27782 1 428 . 1 1 132 132 GLY CA C 13 47.10 . . 1 . . . . . 132 GLY CA . 27782 1 429 . 1 1 132 132 GLY N N 15 109.60 . . 1 . . . . . 132 GLY N . 27782 1 430 . 1 1 133 133 ASP H H 1 8.36 . . 1 . . . . . 133 ASP H . 27782 1 431 . 1 1 133 133 ASP C C 13 177.10 . . 1 . . . . . 133 ASP C . 27782 1 432 . 1 1 133 133 ASP CA C 13 53.36 . . 1 . . . . . 133 ASP CA . 27782 1 433 . 1 1 133 133 ASP N N 15 121.95 . . 1 . . . . . 133 ASP N . 27782 1 434 . 1 1 134 134 GLY H H 1 10.29 . . 1 . . . . . 134 GLY H . 27782 1 435 . 1 1 134 134 GLY C C 13 176.22 . . 1 . . . . . 134 GLY C . 27782 1 436 . 1 1 134 134 GLY CA C 13 45.22 . . 1 . . . . . 134 GLY CA . 27782 1 437 . 1 1 134 134 GLY N N 15 113.54 . . 1 . . . . . 134 GLY N . 27782 1 438 . 1 1 135 135 GLN H H 1 7.91 . . 1 . . . . . 135 GLN H . 27782 1 439 . 1 1 135 135 GLN C C 13 174.51 . . 1 . . . . . 135 GLN C . 27782 1 440 . 1 1 135 135 GLN CA C 13 53.00 . . 1 . . . . . 135 GLN CA . 27782 1 441 . 1 1 135 135 GLN N N 15 116.34 . . 1 . . . . . 135 GLN N . 27782 1 442 . 1 1 136 136 VAL H H 1 9.10 . . 1 . . . . . 136 VAL H . 27782 1 443 . 1 1 136 136 VAL C C 13 175.26 . . 1 . . . . . 136 VAL C . 27782 1 444 . 1 1 136 136 VAL CA C 13 61.53 . . 1 . . . . . 136 VAL CA . 27782 1 445 . 1 1 136 136 VAL N N 15 126.46 . . 1 . . . . . 136 VAL N . 27782 1 446 . 1 1 137 137 ASN H H 1 9.53 . . 1 . . . . . 137 ASN H . 27782 1 447 . 1 1 137 137 ASN C C 13 174.27 . . 1 . . . . . 137 ASN C . 27782 1 448 . 1 1 137 137 ASN CA C 13 50.44 . . 1 . . . . . 137 ASN CA . 27782 1 449 . 1 1 137 137 ASN N N 15 130.30 . . 1 . . . . . 137 ASN N . 27782 1 450 . 1 1 138 138 TYR H H 1 8.35 . . 1 . . . . . 138 TYR H . 27782 1 451 . 1 1 138 138 TYR C C 13 174.38 . . 1 . . . . . 138 TYR C . 27782 1 452 . 1 1 138 138 TYR CA C 13 61.87 . . 1 . . . . . 138 TYR CA . 27782 1 453 . 1 1 138 138 TYR N N 15 119.55 . . 1 . . . . . 138 TYR N . 27782 1 454 . 1 1 139 139 GLU H H 1 8.11 . . 1 . . . . . 139 GLU H . 27782 1 455 . 1 1 139 139 GLU N N 15 119.53 . . 1 . . . . . 139 GLU N . 27782 1 456 . 1 1 141 141 PHE H H 1 8.42 . . 1 . . . . . 141 PHE H . 27782 1 457 . 1 1 141 141 PHE C C 13 178.12 . . 1 . . . . . 141 PHE C . 27782 1 458 . 1 1 141 141 PHE CA C 13 61.21 . . 1 . . . . . 141 PHE CA . 27782 1 459 . 1 1 141 141 PHE N N 15 124.64 . . 1 . . . . . 141 PHE N . 27782 1 460 . 1 1 142 142 VAL H H 1 8.54 . . 1 . . . . . 142 VAL H . 27782 1 461 . 1 1 142 142 VAL C C 13 173.71 . . 1 . . . . . 142 VAL C . 27782 1 462 . 1 1 142 142 VAL CA C 13 66.59 . . 1 . . . . . 142 VAL CA . 27782 1 463 . 1 1 142 142 VAL N N 15 120.23 . . 1 . . . . . 142 VAL N . 27782 1 464 . 1 1 143 143 GLN H H 1 7.62 . . 1 . . . . . 143 GLN H . 27782 1 465 . 1 1 143 143 GLN N N 15 117.27 . . 1 . . . . . 143 GLN N . 27782 1 466 . 1 1 145 145 MET H H 1 7.39 . . 1 . . . . . 145 MET H . 27782 1 467 . 1 1 145 145 MET C C 13 176.78 . . 1 . . . . . 145 MET C . 27782 1 468 . 1 1 145 145 MET CA C 13 54.57 . . 1 . . . . . 145 MET CA . 27782 1 469 . 1 1 145 145 MET N N 15 114.50 . . 1 . . . . . 145 MET N . 27782 1 470 . 1 1 146 146 THR H H 1 7.36 . . 1 . . . . . 146 THR H . 27782 1 471 . 1 1 146 146 THR C C 13 173.53 . . 1 . . . . . 146 THR C . 27782 1 472 . 1 1 146 146 THR CA C 13 61.17 . . 1 . . . . . 146 THR CA . 27782 1 473 . 1 1 146 146 THR N N 15 109.49 . . 1 . . . . . 146 THR N . 27782 1 474 . 1 1 147 147 ALA H H 1 7.58 . . 1 . . . . . 147 ALA H . 27782 1 475 . 1 1 147 147 ALA C C 13 176.04 . . 1 . . . . . 147 ALA C . 27782 1 476 . 1 1 147 147 ALA CA C 13 52.36 . . 1 . . . . . 147 ALA CA . 27782 1 477 . 1 1 147 147 ALA N N 15 127.56 . . 1 . . . . . 147 ALA N . 27782 1 478 . 1 1 148 148 LYS H H 1 7.83 . . 1 . . . . . 148 LYS H . 27782 1 479 . 1 1 148 148 LYS CA C 13 57.07 . . 1 . . . . . 148 LYS CA . 27782 1 480 . 1 1 148 148 LYS N N 15 127.12 . . 1 . . . . . 148 LYS N . 27782 1 stop_ save_