data_50849 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50849 _Entry.Title ; 1H, 13C, and 15N resonance assignments of Mg2+/Ca2+-Calmodulin bound to BP2 derived from the STRA6 vitamin A transporter ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-25 _Entry.Accession_date 2021-03-25 _Entry.Last_release_date 2021-03-25 _Entry.Original_release_date 2021-03-25 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Brianna Young . D. . 0000-0002-7742-8860 50849 2 Kristen Varney . M. . . 50849 3 Mary Cook . E. . . 50849 4 David Weber . J. . . 50849 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50849 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 134 50849 '15N chemical shifts' 132 50849 '1H chemical shifts' 132 50849 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 . . 2021-10-22 . original BMRB . 50849 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50836 'Magnesium bound Calmodulin' 50849 BMRB 50837 'Mg2+-Calmodulin bound to BP2 derived from the STRA6 vitamin A transporter' 50849 BMRB 50850 'Ca2+-Calmodulin bound to BP0 derived from the STRA6 vitamin A transporter' 50849 BMRB 50851 'Mg2+-Calmodulin bound to BP0 derived from the STRA6 vitamin A transporter' 50849 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50849 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34592217 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Physiologically Relevant Free Ca 2+ Ion Concentrations Regulate STRA6-Calmodulin Complex Formation via the BP2 Region of STRA6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 433 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 167272 _Citation.Page_last 167272 _Citation.Year 2021 _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 Brianna Young B. D. . . 50849 1 2 Kristen Varney K. M. . . 50849 1 3 Paul Wilder P. T. . . 50849 1 4 Brianna Costabile B. K. . . 50849 1 5 Edwin Pozharski E. . . . 50849 1 6 Mary Cook M. E. . . 50849 1 7 Raquel Godoy-Ruiz R. . . . 50849 1 8 Oliver Clarke O. B. . . 50849 1 9 Filippo Mancia F. . . . 50849 1 10 David Weber D. J. . . 50849 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50849 _Assembly.ID 1 _Assembly.Name Calmodulin-STRA6 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _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 . _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 $entity_1 . . yes native no no . . . 50849 1 2 Mg2+ 2 $entity_MG . . no native no no . . . 50849 1 3 Ca2+ 3 $entity_CA . . no native no no . . . 50849 1 4 BP2 4 $entity_BP2 . . no native no no . . . 50849 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50849 _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-148 _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 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 50849 1 2 . ASP . 50849 1 3 . GLN . 50849 1 4 . LEU . 50849 1 5 . THR . 50849 1 6 . GLU . 50849 1 7 . GLU . 50849 1 8 . GLN . 50849 1 9 . ILE . 50849 1 10 . ALA . 50849 1 11 . GLU . 50849 1 12 . PHE . 50849 1 13 . LYS . 50849 1 14 . GLU . 50849 1 15 . ALA . 50849 1 16 . PHE . 50849 1 17 . SER . 50849 1 18 . LEU . 50849 1 19 . PHE . 50849 1 20 . ASP . 50849 1 21 . LYS . 50849 1 22 . ASP . 50849 1 23 . GLY . 50849 1 24 . ASP . 50849 1 25 . GLY . 50849 1 26 . THR . 50849 1 27 . ILE . 50849 1 28 . THR . 50849 1 29 . THR . 50849 1 30 . LYS . 50849 1 31 . GLU . 50849 1 32 . LEU . 50849 1 33 . GLY . 50849 1 34 . THR . 50849 1 35 . VAL . 50849 1 36 . MET . 50849 1 37 . ARG . 50849 1 38 . SER . 50849 1 39 . LEU . 50849 1 40 . GLY . 50849 1 41 . GLN . 50849 1 42 . ASN . 50849 1 43 . PRO . 50849 1 44 . THR . 50849 1 45 . GLU . 50849 1 46 . ALA . 50849 1 47 . GLU . 50849 1 48 . LEU . 50849 1 49 . GLN . 50849 1 50 . ASP . 50849 1 51 . MET . 50849 1 52 . ILE . 50849 1 53 . ASN . 50849 1 54 . GLU . 50849 1 55 . VAL . 50849 1 56 . ASP . 50849 1 57 . ALA . 50849 1 58 . ASP . 50849 1 59 . GLY . 50849 1 60 . ASN . 50849 1 61 . GLY . 50849 1 62 . THR . 50849 1 63 . ILE . 50849 1 64 . ASP . 50849 1 65 . PHE . 50849 1 66 . PRO . 50849 1 67 . GLU . 50849 1 68 . PHE . 50849 1 69 . LEU . 50849 1 70 . THR . 50849 1 71 . MET . 50849 1 72 . MET . 50849 1 73 . ALA . 50849 1 74 . ARG . 50849 1 75 . LYS . 50849 1 76 . MET . 50849 1 77 . LYS . 50849 1 78 . ASP . 50849 1 79 . THR . 50849 1 80 . ASP . 50849 1 81 . SER . 50849 1 82 . GLU . 50849 1 83 . GLU . 50849 1 84 . GLU . 50849 1 85 . ILE . 50849 1 86 . ARG . 50849 1 87 . GLU . 50849 1 88 . ALA . 50849 1 89 . PHE . 50849 1 90 . ARG . 50849 1 91 . VAL . 50849 1 92 . PHE . 50849 1 93 . ASP . 50849 1 94 . LYS . 50849 1 95 . ASP . 50849 1 96 . GLY . 50849 1 97 . ASN . 50849 1 98 . GLY . 50849 1 99 . TYR . 50849 1 100 . ILE . 50849 1 101 . SER . 50849 1 102 . ALA . 50849 1 103 . ALA . 50849 1 104 . GLU . 50849 1 105 . LEU . 50849 1 106 . ARG . 50849 1 107 . HIS . 50849 1 108 . VAL . 50849 1 109 . MET . 50849 1 110 . THR . 50849 1 111 . ASN . 50849 1 112 . LEU . 50849 1 113 . GLY . 50849 1 114 . GLU . 50849 1 115 . LYS . 50849 1 116 . LEU . 50849 1 117 . THR . 50849 1 118 . ASP . 50849 1 119 . GLU . 50849 1 120 . GLU . 50849 1 121 . VAL . 50849 1 122 . ASP . 50849 1 123 . GLU . 50849 1 124 . MET . 50849 1 125 . ILE . 50849 1 126 . ARG . 50849 1 127 . GLU . 50849 1 128 . ALA . 50849 1 129 . ASP . 50849 1 130 . ILE . 50849 1 131 . ASP . 50849 1 132 . GLY . 50849 1 133 . ASP . 50849 1 134 . GLY . 50849 1 135 . GLN . 50849 1 136 . VAL . 50849 1 137 . ASN . 50849 1 138 . TYR . 50849 1 139 . GLU . 50849 1 140 . GLU . 50849 1 141 . PHE . 50849 1 142 . VAL . 50849 1 143 . GLN . 50849 1 144 . MET . 50849 1 145 . MET . 50849 1 146 . THR . 50849 1 147 . ALA . 50849 1 148 . LYS . 50849 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 50849 1 . ASP 2 2 50849 1 . GLN 3 3 50849 1 . LEU 4 4 50849 1 . THR 5 5 50849 1 . GLU 6 6 50849 1 . GLU 7 7 50849 1 . GLN 8 8 50849 1 . ILE 9 9 50849 1 . ALA 10 10 50849 1 . GLU 11 11 50849 1 . PHE 12 12 50849 1 . LYS 13 13 50849 1 . GLU 14 14 50849 1 . ALA 15 15 50849 1 . PHE 16 16 50849 1 . SER 17 17 50849 1 . LEU 18 18 50849 1 . PHE 19 19 50849 1 . ASP 20 20 50849 1 . LYS 21 21 50849 1 . ASP 22 22 50849 1 . GLY 23 23 50849 1 . ASP 24 24 50849 1 . GLY 25 25 50849 1 . THR 26 26 50849 1 . ILE 27 27 50849 1 . THR 28 28 50849 1 . THR 29 29 50849 1 . LYS 30 30 50849 1 . GLU 31 31 50849 1 . LEU 32 32 50849 1 . GLY 33 33 50849 1 . THR 34 34 50849 1 . VAL 35 35 50849 1 . MET 36 36 50849 1 . ARG 37 37 50849 1 . SER 38 38 50849 1 . LEU 39 39 50849 1 . GLY 40 40 50849 1 . GLN 41 41 50849 1 . ASN 42 42 50849 1 . PRO 43 43 50849 1 . THR 44 44 50849 1 . GLU 45 45 50849 1 . ALA 46 46 50849 1 . GLU 47 47 50849 1 . LEU 48 48 50849 1 . GLN 49 49 50849 1 . ASP 50 50 50849 1 . MET 51 51 50849 1 . ILE 52 52 50849 1 . ASN 53 53 50849 1 . GLU 54 54 50849 1 . VAL 55 55 50849 1 . ASP 56 56 50849 1 . ALA 57 57 50849 1 . ASP 58 58 50849 1 . GLY 59 59 50849 1 . ASN 60 60 50849 1 . GLY 61 61 50849 1 . THR 62 62 50849 1 . ILE 63 63 50849 1 . ASP 64 64 50849 1 . PHE 65 65 50849 1 . PRO 66 66 50849 1 . GLU 67 67 50849 1 . PHE 68 68 50849 1 . LEU 69 69 50849 1 . THR 70 70 50849 1 . MET 71 71 50849 1 . MET 72 72 50849 1 . ALA 73 73 50849 1 . ARG 74 74 50849 1 . LYS 75 75 50849 1 . MET 76 76 50849 1 . LYS 77 77 50849 1 . ASP 78 78 50849 1 . THR 79 79 50849 1 . ASP 80 80 50849 1 . SER 81 81 50849 1 . GLU 82 82 50849 1 . GLU 83 83 50849 1 . GLU 84 84 50849 1 . ILE 85 85 50849 1 . ARG 86 86 50849 1 . GLU 87 87 50849 1 . ALA 88 88 50849 1 . PHE 89 89 50849 1 . ARG 90 90 50849 1 . VAL 91 91 50849 1 . PHE 92 92 50849 1 . ASP 93 93 50849 1 . LYS 94 94 50849 1 . ASP 95 95 50849 1 . GLY 96 96 50849 1 . ASN 97 97 50849 1 . GLY 98 98 50849 1 . TYR 99 99 50849 1 . ILE 100 100 50849 1 . SER 101 101 50849 1 . ALA 102 102 50849 1 . ALA 103 103 50849 1 . GLU 104 104 50849 1 . LEU 105 105 50849 1 . ARG 106 106 50849 1 . HIS 107 107 50849 1 . VAL 108 108 50849 1 . MET 109 109 50849 1 . THR 110 110 50849 1 . ASN 111 111 50849 1 . LEU 112 112 50849 1 . GLY 113 113 50849 1 . GLU 114 114 50849 1 . LYS 115 115 50849 1 . LEU 116 116 50849 1 . THR 117 117 50849 1 . ASP 118 118 50849 1 . GLU 119 119 50849 1 . GLU 120 120 50849 1 . VAL 121 121 50849 1 . ASP 122 122 50849 1 . GLU 123 123 50849 1 . MET 124 124 50849 1 . ILE 125 125 50849 1 . ARG 126 126 50849 1 . GLU 127 127 50849 1 . ALA 128 128 50849 1 . ASP 129 129 50849 1 . ILE 130 130 50849 1 . ASP 131 131 50849 1 . GLY 132 132 50849 1 . ASP 133 133 50849 1 . GLY 134 134 50849 1 . GLN 135 135 50849 1 . VAL 136 136 50849 1 . ASN 137 137 50849 1 . TYR 138 138 50849 1 . GLU 139 139 50849 1 . GLU 140 140 50849 1 . PHE 141 141 50849 1 . VAL 142 142 50849 1 . GLN 143 143 50849 1 . MET 144 144 50849 1 . MET 145 145 50849 1 . THR 146 146 50849 1 . ALA 147 147 50849 1 . LYS 148 148 50849 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 50849 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _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 MG _Entity.Nonpolymer_comp_label $chem_comp_MG _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 24.305 _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 'MAGNESIUM ION' BMRB 50849 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 50849 2 MG 'Three letter code' 50849 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 MG $chem_comp_MG 50849 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 50849 _Entity.ID 3 _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 3 _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 50849 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 50849 3 CA 'Three letter code' 50849 3 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 50849 3 stop_ save_ save_entity_BP2 _Entity.Sf_category entity _Entity.Sf_framecode entity_BP2 _Entity.Entry_ID 50849 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_2 _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 600-626 _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 4 _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 . 50849 4 2 . SER . 50849 4 3 . ASN . 50849 4 4 . ALA . 50849 4 5 . LYS . 50849 4 6 . ARG . 50849 4 7 . ALA . 50849 4 8 . ARG . 50849 4 9 . ALA . 50849 4 10 . HIS . 50849 4 11 . TRP . 50849 4 12 . GLN . 50849 4 13 . LEU . 50849 4 14 . LEU . 50849 4 15 . TYR . 50849 4 16 . THR . 50849 4 17 . LEU . 50849 4 18 . VAL . 50849 4 19 . ASN . 50849 4 20 . ASN . 50849 4 21 . PRO . 50849 4 22 . SER . 50849 4 23 . LEU . 50849 4 24 . VAL . 50849 4 25 . GLY . 50849 4 26 . SER . 50849 4 27 . ARG . 50849 4 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 50849 4 . SER 2 2 50849 4 . ASN 3 3 50849 4 . ALA 4 4 50849 4 . LYS 5 5 50849 4 . ARG 6 6 50849 4 . ALA 7 7 50849 4 . ARG 8 8 50849 4 . ALA 9 9 50849 4 . HIS 10 10 50849 4 . TRP 11 11 50849 4 . GLN 12 12 50849 4 . LEU 13 13 50849 4 . LEU 14 14 50849 4 . TYR 15 15 50849 4 . THR 16 16 50849 4 . LEU 17 17 50849 4 . VAL 18 18 50849 4 . ASN 19 19 50849 4 . ASN 20 20 50849 4 . PRO 21 21 50849 4 . SER 22 22 50849 4 . LEU 23 23 50849 4 . VAL 24 24 50849 4 . GLY 25 25 50849 4 . SER 26 26 50849 4 . ARG 27 27 50849 4 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 50849 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50849 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 50849 _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 BL21 . . plasmid . . pET24 . . . 50849 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 50849 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _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 MG _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/Mg/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 Mg _Chem_comp.Formula_weight 24.305 _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 PDBJ _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 InChI=1S/Mg/q+2 InChI InChI 1.03 50849 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 50849 MG [Mg++] SMILES CACTVS 3.341 50849 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 50849 MG [Mg+2] SMILES ACDLabs 10.04 50849 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 50849 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50849 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 50849 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50849 MG 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 MG MG MG MG . MG . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50849 MG stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 50849 _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 50849 CA InChI=1S/Ca/q+2 InChI InChI 1.03 50849 CA [Ca++] SMILES CACTVS 3.341 50849 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 50849 CA [Ca+2] SMILES ACDLabs 10.04 50849 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 50849 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50849 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 50849 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50849 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 . 50849 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50849 _Sample.ID 1 _Sample.Name Mg2+/Ca2+-CaM-BP2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Calmodulin, [U-13C; U-15N], 0.50 mM; STRA6 BP2 0.6 mM; HEPES 20 mM pH 7.4; sodium chloride 50 mM; EGTA 19 mM; magnesium chloride 19 mM; calcium chloride 9.3 mM; TCEP 0.5 mM. ; _Sample.Aggregate_sample_number 1 _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 $entity_1 . . 0.5 . . mM . . . . 50849 1 2 'STRA6 BP2' 'natural abundance' . . 4 $entity_BP2 . . 0.6 . . mM . . . . 50849 1 3 'Calcium ion' 'natural abundance' . . 3 $entity_CA . . 9.3 . . mM . . . . 50849 1 4 'Magnesium ion' 'natural abundance' . . 2 $entity_MG . . 19 . . mM . . . . 50849 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 50849 _Sample_condition_list.ID 1 _Sample_condition_list.Name Mg2+/Ca2+-CaM-BP2 _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 pH 7.4 . pH 50849 1 pressure 1 . atm 50849 1 temperature 298 . K 50849 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50849 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50849 1 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 50849 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50849 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 50849 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50849 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50849 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50849 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50849 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 50849 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 na 'methyl carbon' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50849 1 H 1 TSP protons . . . . ppm 0.00 external indirect 1 . . . . . 50849 1 N 15 na nitrogen . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50849 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 50849 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Mg2+/Ca2+-CaM-BP2 200 nM [Ca2+]free' _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 '2D 1H-15N HSQC' . . . 50849 1 2 '3D HNCA' . . . 50849 1 3 '3D HN(CO)CA' . . . 50849 1 4 '2D 1H-15N HSQC' . . . 50849 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 . . 50849 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 2 2 ASP CA C 13 54.31 0 . 1 . . . . . 2 ASP CA . 50849 1 2 . 1 . 1 3 3 GLN H H 1 8.14 0 . 1 . . . . . 3 GLN H . 50849 1 3 . 1 . 1 3 3 GLN CA C 13 54.94 0 . 1 . . . . . 3 GLN CA . 50849 1 4 . 1 . 1 3 3 GLN N N 15 119.51 0 . 1 . . . . . 3 GLN N . 50849 1 5 . 1 . 1 4 4 LEU H H 1 8.26 0 . 1 . . . . . 4 LEU H . 50849 1 6 . 1 . 1 4 4 LEU CA C 13 53.86 0 . 1 . . . . . 4 LEU CA . 50849 1 7 . 1 . 1 4 4 LEU N N 15 122.71 0 . 1 . . . . . 4 LEU N . 50849 1 8 . 1 . 1 5 5 THR H H 1 8.65 0 . 1 . . . . . 5 THR H . 50849 1 9 . 1 . 1 5 5 THR CA C 13 60.07 0 . 1 . . . . . 5 THR CA . 50849 1 10 . 1 . 1 5 5 THR N N 15 113.89 0 . 1 . . . . . 5 THR N . 50849 1 11 . 1 . 1 6 6 GLU H H 1 8.98 0 . 1 . . . . . 6 GLU H . 50849 1 12 . 1 . 1 6 6 GLU CA C 13 59.59 0 . 1 . . . . . 6 GLU CA . 50849 1 13 . 1 . 1 6 6 GLU N N 15 121.28 0 . 1 . . . . . 6 GLU N . 50849 1 14 . 1 . 1 7 7 GLU H H 1 8.65 0 . 1 . . . . . 7 GLU H . 50849 1 15 . 1 . 1 7 7 GLU CA C 13 59.61 0 . 1 . . . . . 7 GLU CA . 50849 1 16 . 1 . 1 7 7 GLU N N 15 120.30 0 . 1 . . . . . 7 GLU N . 50849 1 17 . 1 . 1 8 8 GLN H H 1 7.66 0 . 1 . . . . . 8 GLN H . 50849 1 18 . 1 . 1 8 8 GLN CA C 13 58.17 0 . 1 . . . . . 8 GLN CA . 50849 1 19 . 1 . 1 8 8 GLN N N 15 121.29 0 . 1 . . . . . 8 GLN N . 50849 1 20 . 1 . 1 9 9 ILE H H 1 8.18 0 . 1 . . . . . 9 ILE H . 50849 1 21 . 1 . 1 9 9 ILE CA C 13 66.28 0 . 1 . . . . . 9 ILE CA . 50849 1 22 . 1 . 1 9 9 ILE N N 15 119.42 0 . 1 . . . . . 9 ILE N . 50849 1 23 . 1 . 1 10 10 ALA H H 1 7.89 0 . 1 . . . . . 10 ALA H . 50849 1 24 . 1 . 1 10 10 ALA CA C 13 54.83 0 . 1 . . . . . 10 ALA CA . 50849 1 25 . 1 . 1 10 10 ALA N N 15 121.34 0 . 1 . . . . . 10 ALA N . 50849 1 26 . 1 . 1 11 11 GLU H H 1 7.72 0 . 1 . . . . . 11 GLU H . 50849 1 27 . 1 . 1 11 11 GLU CA C 13 58.91 0 . 1 . . . . . 11 GLU CA . 50849 1 28 . 1 . 1 11 11 GLU N N 15 121.33 0 . 1 . . . . . 11 GLU N . 50849 1 29 . 1 . 1 12 12 PHE H H 1 8.64 0 . 1 . . . . . 12 PHE H . 50849 1 30 . 1 . 1 12 12 PHE CA C 13 57.96 0 . 1 . . . . . 12 PHE CA . 50849 1 31 . 1 . 1 12 12 PHE N N 15 121.08 0 . 1 . . . . . 12 PHE N . 50849 1 32 . 1 . 1 13 13 LYS H H 1 9.21 0 . 1 . . . . . 13 LYS H . 50849 1 33 . 1 . 1 13 13 LYS CA C 13 59.34 0 . 1 . . . . . 13 LYS CA . 50849 1 34 . 1 . 1 13 13 LYS N N 15 122.61 0 . 1 . . . . . 13 LYS N . 50849 1 35 . 1 . 1 14 14 GLU H H 1 8.07 0 . 1 . . . . . 14 GLU H . 50849 1 36 . 1 . 1 14 14 GLU CA C 13 59.03 0 . 1 . . . . . 14 GLU CA . 50849 1 37 . 1 . 1 14 14 GLU N N 15 121.44 0 . 1 . . . . . 14 GLU N . 50849 1 38 . 1 . 1 15 15 ALA H H 1 7.70 0 . 1 . . . . . 15 ALA H . 50849 1 39 . 1 . 1 15 15 ALA CA C 13 54.72 0 . 1 . . . . . 15 ALA CA . 50849 1 40 . 1 . 1 15 15 ALA N N 15 121.93 0 . 1 . . . . . 15 ALA N . 50849 1 41 . 1 . 1 16 16 PHE H H 1 8.49 0 . 1 . . . . . 16 PHE H . 50849 1 42 . 1 . 1 16 16 PHE CA C 13 61.72 0 . 1 . . . . . 16 PHE CA . 50849 1 43 . 1 . 1 16 16 PHE N N 15 118.43 0 . 1 . . . . . 16 PHE N . 50849 1 44 . 1 . 1 17 17 SER H H 1 8.45 0 . 1 . . . . . 17 SER H . 50849 1 45 . 1 . 1 17 17 SER CA C 13 61.40 0 . 1 . . . . . 17 SER CA . 50849 1 46 . 1 . 1 17 17 SER N N 15 112.47 0 . 1 . . . . . 17 SER N . 50849 1 47 . 1 . 1 18 18 LEU H H 1 7.48 0 . 1 . . . . . 18 LEU H . 50849 1 48 . 1 . 1 18 18 LEU CA C 13 56.73 0 . 1 . . . . . 18 LEU CA . 50849 1 49 . 1 . 1 18 18 LEU N N 15 122.08 0 . 1 . . . . . 18 LEU N . 50849 1 50 . 1 . 1 19 19 PHE H H 1 7.04 0 . 1 . . . . . 19 PHE H . 50849 1 51 . 1 . 1 19 19 PHE CA C 13 58.64 0 . 1 . . . . . 19 PHE CA . 50849 1 52 . 1 . 1 19 19 PHE N N 15 114.59 0 . 1 . . . . . 19 PHE N . 50849 1 53 . 1 . 1 20 20 ASP CA C 13 51.73 0 . 1 . . . . . 20 ASP CA . 50849 1 54 . 1 . 1 21 21 LYS H H 1 7.72 0 . 1 . . . . . 21 LYS H . 50849 1 55 . 1 . 1 21 21 LYS CA C 13 58.51 0 . 1 . . . . . 21 LYS CA . 50849 1 56 . 1 . 1 21 21 LYS N N 15 123.90 0 . 1 . . . . . 21 LYS N . 50849 1 57 . 1 . 1 23 23 GLY H H 1 7.66 0 . 1 . . . . . 23 GLY H . 50849 1 58 . 1 . 1 23 23 GLY CA C 13 46.92 0 . 1 . . . . . 23 GLY CA . 50849 1 59 . 1 . 1 23 23 GLY N N 15 109.50 0 . 1 . . . . . 23 GLY N . 50849 1 60 . 1 . 1 24 24 ASP H H 1 8.24 0 . 1 . . . . . 24 ASP H . 50849 1 61 . 1 . 1 24 24 ASP CA C 13 58.47 0 . 1 . . . . . 24 ASP CA . 50849 1 62 . 1 . 1 24 24 ASP N N 15 119.42 0 . 1 . . . . . 24 ASP N . 50849 1 63 . 1 . 1 25 25 GLY H H 1 10.58 0 . 1 . . . . . 25 GLY H . 50849 1 64 . 1 . 1 25 25 GLY CA C 13 45.18 0 . 1 . . . . . 25 GLY CA . 50849 1 65 . 1 . 1 25 25 GLY N N 15 115.00 0 . 1 . . . . . 25 GLY N . 50849 1 66 . 1 . 1 28 28 THR H H 1 8.27 0 . 1 . . . . . 28 THR H . 50849 1 67 . 1 . 1 28 28 THR CA C 13 59.93 0 . 1 . . . . . 28 THR CA . 50849 1 68 . 1 . 1 28 28 THR N N 15 111.30 0 . 1 . . . . . 28 THR N . 50849 1 69 . 1 . 1 29 29 THR H H 1 8.19 0 . 1 . . . . . 29 THR H . 50849 1 70 . 1 . 1 29 29 THR CA C 13 64.68 0 . 1 . . . . . 29 THR CA . 50849 1 71 . 1 . 1 29 29 THR N N 15 112.85 0 . 1 . . . . . 29 THR N . 50849 1 72 . 1 . 1 30 30 LYS H H 1 7.63 0 . 1 . . . . . 30 LYS H . 50849 1 73 . 1 . 1 30 30 LYS CA C 13 57.99 0 . 1 . . . . . 30 LYS CA . 50849 1 74 . 1 . 1 30 30 LYS N N 15 120.38 0 . 1 . . . . . 30 LYS N . 50849 1 75 . 1 . 1 31 31 GLU H H 1 7.44 0 . 1 . . . . . 31 GLU H . 50849 1 76 . 1 . 1 31 31 GLU CA C 13 56.28 0 . 1 . . . . . 31 GLU CA . 50849 1 77 . 1 . 1 31 31 GLU N N 15 119.02 0 . 1 . . . . . 31 GLU N . 50849 1 78 . 1 . 1 33 33 GLY H H 1 8.57 0 . 1 . . . . . 33 GLY H . 50849 1 79 . 1 . 1 33 33 GLY CA C 13 47.72 0 . 1 . . . . . 33 GLY CA . 50849 1 80 . 1 . 1 33 33 GLY N N 15 106.72 0 . 1 . . . . . 33 GLY N . 50849 1 81 . 1 . 1 34 34 THR H H 1 7.43 0 . 1 . . . . . 34 THR H . 50849 1 82 . 1 . 1 34 34 THR CA C 13 65.48 0 . 1 . . . . . 34 THR CA . 50849 1 83 . 1 . 1 34 34 THR N N 15 118.24 0 . 1 . . . . . 34 THR N . 50849 1 84 . 1 . 1 35 35 VAL H H 1 7.87 0 . 1 . . . . . 35 VAL H . 50849 1 85 . 1 . 1 35 35 VAL CA C 13 65.71 0 . 1 . . . . . 35 VAL CA . 50849 1 86 . 1 . 1 35 35 VAL N N 15 123.78 0 . 1 . . . . . 35 VAL N . 50849 1 87 . 1 . 1 36 36 MET H H 1 8.33 0 . 1 . . . . . 36 MET H . 50849 1 88 . 1 . 1 36 36 MET CA C 13 59.41 0 . 1 . . . . . 36 MET CA . 50849 1 89 . 1 . 1 36 36 MET N N 15 119.20 0 . 1 . . . . . 36 MET N . 50849 1 90 . 1 . 1 37 37 ARG H H 1 8.33 0 . 1 . . . . . 37 ARG H . 50849 1 91 . 1 . 1 37 37 ARG CA C 13 58.70 0 . 1 . . . . . 37 ARG CA . 50849 1 92 . 1 . 1 37 37 ARG N N 15 120.44 0 . 1 . . . . . 37 ARG N . 50849 1 93 . 1 . 1 38 38 SER H H 1 8.01 0 . 1 . . . . . 38 SER H . 50849 1 94 . 1 . 1 38 38 SER CA C 13 61.30 0 . 1 . . . . . 38 SER CA . 50849 1 95 . 1 . 1 38 38 SER N N 15 120.05 0 . 1 . . . . . 38 SER N . 50849 1 96 . 1 . 1 39 39 LEU H H 1 7.26 0 . 1 . . . . . 39 LEU H . 50849 1 97 . 1 . 1 39 39 LEU CA C 13 54.08 0 . 1 . . . . . 39 LEU CA . 50849 1 98 . 1 . 1 39 39 LEU N N 15 121.79 0 . 1 . . . . . 39 LEU N . 50849 1 99 . 1 . 1 40 40 GLY H H 1 7.88 0 . 1 . . . . . 40 GLY H . 50849 1 100 . 1 . 1 40 40 GLY CA C 13 45.24 0 . 1 . . . . . 40 GLY CA . 50849 1 101 . 1 . 1 40 40 GLY N N 15 108.14 0 . 1 . . . . . 40 GLY N . 50849 1 102 . 1 . 1 41 41 GLN H H 1 7.72 0 . 1 . . . . . 41 GLN H . 50849 1 103 . 1 . 1 41 41 GLN CA C 13 53.63 0 . 1 . . . . . 41 GLN CA . 50849 1 104 . 1 . 1 41 41 GLN N N 15 118.89 0 . 1 . . . . . 41 GLN N . 50849 1 105 . 1 . 1 42 42 ASN H H 1 8.59 0 . 1 . . . . . 42 ASN H . 50849 1 106 . 1 . 1 42 42 ASN CA C 13 50.57 0 . 1 . . . . . 42 ASN CA . 50849 1 107 . 1 . 1 42 42 ASN N N 15 117.59 0 . 1 . . . . . 42 ASN N . 50849 1 108 . 1 . 1 44 44 THR H H 1 8.66 0 . 1 . . . . . 44 THR H . 50849 1 109 . 1 . 1 44 44 THR CA C 13 59.78 0 . 1 . . . . . 44 THR CA . 50849 1 110 . 1 . 1 44 44 THR N N 15 114.01 0 . 1 . . . . . 44 THR N . 50849 1 111 . 1 . 1 45 45 GLU H H 1 8.80 0 . 1 . . . . . 45 GLU H . 50849 1 112 . 1 . 1 45 45 GLU CA C 13 59.50 0 . 1 . . . . . 45 GLU CA . 50849 1 113 . 1 . 1 45 45 GLU N N 15 121.65 0 . 1 . . . . . 45 GLU N . 50849 1 114 . 1 . 1 46 46 ALA H H 1 8.27 0 . 1 . . . . . 46 ALA H . 50849 1 115 . 1 . 1 46 46 ALA CA C 13 54.54 0 . 1 . . . . . 46 ALA CA . 50849 1 116 . 1 . 1 46 46 ALA N N 15 121.86 0 . 1 . . . . . 46 ALA N . 50849 1 117 . 1 . 1 47 47 GLU H H 1 7.68 0 . 1 . . . . . 47 GLU H . 50849 1 118 . 1 . 1 47 47 GLU CA C 13 58.40 0 . 1 . . . . . 47 GLU CA . 50849 1 119 . 1 . 1 47 47 GLU N N 15 119.95 0 . 1 . . . . . 47 GLU N . 50849 1 120 . 1 . 1 48 48 LEU H H 1 8.31 0 . 1 . . . . . 48 LEU H . 50849 1 121 . 1 . 1 48 48 LEU CA C 13 57.46 0 . 1 . . . . . 48 LEU CA . 50849 1 122 . 1 . 1 48 48 LEU N N 15 121.12 0 . 1 . . . . . 48 LEU N . 50849 1 123 . 1 . 1 49 49 GLN H H 1 8.03 0 . 1 . . . . . 49 GLN H . 50849 1 124 . 1 . 1 49 49 GLN CA C 13 58.15 0 . 1 . . . . . 49 GLN CA . 50849 1 125 . 1 . 1 49 49 GLN N N 15 118.49 0 . 1 . . . . . 49 GLN N . 50849 1 126 . 1 . 1 50 50 ASP H H 1 7.77 0 . 1 . . . . . 50 ASP H . 50849 1 127 . 1 . 1 50 50 ASP CA C 13 56.98 0 . 1 . . . . . 50 ASP CA . 50849 1 128 . 1 . 1 50 50 ASP N N 15 119.99 0 . 1 . . . . . 50 ASP N . 50849 1 129 . 1 . 1 51 51 MET H H 1 7.91 0 . 1 . . . . . 51 MET H . 50849 1 130 . 1 . 1 51 51 MET CA C 13 59.23 0 . 1 . . . . . 51 MET CA . 50849 1 131 . 1 . 1 51 51 MET N N 15 120.08 0 . 1 . . . . . 51 MET N . 50849 1 132 . 1 . 1 52 52 ILE H H 1 8.27 0 . 1 . . . . . 52 ILE H . 50849 1 133 . 1 . 1 52 52 ILE CA C 13 64.81 0 . 1 . . . . . 52 ILE CA . 50849 1 134 . 1 . 1 52 52 ILE N N 15 120.21 0 . 1 . . . . . 52 ILE N . 50849 1 135 . 1 . 1 53 53 ASN H H 1 8.27 0 . 1 . . . . . 53 ASN H . 50849 1 136 . 1 . 1 53 53 ASN CA C 13 54.89 0 . 1 . . . . . 53 ASN CA . 50849 1 137 . 1 . 1 53 53 ASN N N 15 118.41 0 . 1 . . . . . 53 ASN N . 50849 1 138 . 1 . 1 54 54 GLU H H 1 7.46 0 . 1 . . . . . 54 GLU H . 50849 1 139 . 1 . 1 54 54 GLU CA C 13 58.07 0 . 1 . . . . . 54 GLU CA . 50849 1 140 . 1 . 1 54 54 GLU N N 15 117.88 0 . 1 . . . . . 54 GLU N . 50849 1 141 . 1 . 1 55 55 VAL H H 1 7.57 0 . 1 . . . . . 55 VAL H . 50849 1 142 . 1 . 1 55 55 VAL CA C 13 61.82 0 . 1 . . . . . 55 VAL CA . 50849 1 143 . 1 . 1 55 55 VAL N N 15 113.16 0 . 1 . . . . . 55 VAL N . 50849 1 144 . 1 . 1 56 56 ASP H H 1 8.34 0 . 1 . . . . . 56 ASP H . 50849 1 145 . 1 . 1 56 56 ASP CA C 13 52.78 0 . 1 . . . . . 56 ASP CA . 50849 1 146 . 1 . 1 56 56 ASP N N 15 123.42 0 . 1 . . . . . 56 ASP N . 50849 1 147 . 1 . 1 58 58 ASP H H 1 8.22 0 . 1 . . . . . 58 ASP H . 50849 1 148 . 1 . 1 58 58 ASP CA C 13 53.32 0 . 1 . . . . . 58 ASP CA . 50849 1 149 . 1 . 1 58 58 ASP N N 15 114.67 0 . 1 . . . . . 58 ASP N . 50849 1 150 . 1 . 1 59 59 GLY H H 1 7.79 0 . 1 . . . . . 59 GLY H . 50849 1 151 . 1 . 1 59 59 GLY CA C 13 46.27 0 . 1 . . . . . 59 GLY CA . 50849 1 152 . 1 . 1 59 59 GLY N N 15 109.52 0 . 1 . . . . . 59 GLY N . 50849 1 153 . 1 . 1 62 62 THR H H 1 7.40 0 . 1 . . . . . 62 THR H . 50849 1 154 . 1 . 1 62 62 THR CA C 13 58.61 0 . 1 . . . . . 62 THR CA . 50849 1 155 . 1 . 1 62 62 THR N N 15 109.90 0 . 1 . . . . . 62 THR N . 50849 1 156 . 1 . 1 65 65 PHE H H 1 8.62 0 . 1 . . . . . 65 PHE H . 50849 1 157 . 1 . 1 65 65 PHE CA C 13 62.46 0 . 1 . . . . . 65 PHE CA . 50849 1 158 . 1 . 1 65 65 PHE N N 15 119.61 0 . 1 . . . . . 65 PHE N . 50849 1 159 . 1 . 1 67 67 GLU H H 1 7.92 0 . 1 . . . . . 67 GLU H . 50849 1 160 . 1 . 1 67 67 GLU CA C 13 58.89 0 . 1 . . . . . 67 GLU CA . 50849 1 161 . 1 . 1 67 67 GLU N N 15 118.57 0 . 1 . . . . . 67 GLU N . 50849 1 162 . 1 . 1 68 68 PHE H H 1 8.39 0 . 1 . . . . . 68 PHE H . 50849 1 163 . 1 . 1 68 68 PHE CA C 13 60.76 0 . 1 . . . . . 68 PHE CA . 50849 1 164 . 1 . 1 68 68 PHE N N 15 123.04 0 . 1 . . . . . 68 PHE N . 50849 1 165 . 1 . 1 69 69 LEU H H 1 8.43 0 . 1 . . . . . 69 LEU H . 50849 1 166 . 1 . 1 69 69 LEU CA C 13 57.23 0 . 1 . . . . . 69 LEU CA . 50849 1 167 . 1 . 1 69 69 LEU N N 15 119.76 0 . 1 . . . . . 69 LEU N . 50849 1 168 . 1 . 1 70 70 THR H H 1 7.69 0 . 1 . . . . . 70 THR H . 50849 1 169 . 1 . 1 70 70 THR CA C 13 66.15 0 . 1 . . . . . 70 THR CA . 50849 1 170 . 1 . 1 70 70 THR N N 15 116.24 0 . 1 . . . . . 70 THR N . 50849 1 171 . 1 . 1 71 71 MET H H 1 7.69 0 . 1 . . . . . 71 MET H . 50849 1 172 . 1 . 1 71 71 MET CA C 13 58.29 0 . 1 . . . . . 71 MET CA . 50849 1 173 . 1 . 1 71 71 MET N N 15 121.89 0 . 1 . . . . . 71 MET N . 50849 1 174 . 1 . 1 72 72 MET H H 1 7.95 0 . 1 . . . . . 72 MET H . 50849 1 175 . 1 . 1 72 72 MET CA C 13 55.41 0 . 1 . . . . . 72 MET CA . 50849 1 176 . 1 . 1 72 72 MET N N 15 118.58 0 . 1 . . . . . 72 MET N . 50849 1 177 . 1 . 1 73 73 ALA H H 1 8.30 0 . 1 . . . . . 73 ALA H . 50849 1 178 . 1 . 1 73 73 ALA CA C 13 54.53 0 . 1 . . . . . 73 ALA CA . 50849 1 179 . 1 . 1 73 73 ALA N N 15 122.40 0 . 1 . . . . . 73 ALA N . 50849 1 180 . 1 . 1 74 74 ARG H H 1 7.48 0 . 1 . . . . . 74 ARG H . 50849 1 181 . 1 . 1 74 74 ARG CA C 13 58.15 0 . 1 . . . . . 74 ARG CA . 50849 1 182 . 1 . 1 74 74 ARG N N 15 117.66 0 . 1 . . . . . 74 ARG N . 50849 1 183 . 1 . 1 75 75 LYS H H 1 7.68 0 . 1 . . . . . 75 LYS H . 50849 1 184 . 1 . 1 75 75 LYS CA C 13 56.35 0 . 1 . . . . . 75 LYS CA . 50849 1 185 . 1 . 1 75 75 LYS N N 15 119.23 0 . 1 . . . . . 75 LYS N . 50849 1 186 . 1 . 1 76 76 MET H H 1 7.88 0 . 1 . . . . . 76 MET H . 50849 1 187 . 1 . 1 76 76 MET CA C 13 56.03 0 . 1 . . . . . 76 MET CA . 50849 1 188 . 1 . 1 76 76 MET N N 15 118.37 0 . 1 . . . . . 76 MET N . 50849 1 189 . 1 . 1 77 77 LYS H H 1 7.62 0 . 1 . . . . . 77 LYS H . 50849 1 190 . 1 . 1 77 77 LYS CA C 13 56.38 0 . 1 . . . . . 77 LYS CA . 50849 1 191 . 1 . 1 77 77 LYS N N 15 121.11 0 . 1 . . . . . 77 LYS N . 50849 1 192 . 1 . 1 78 78 ASP H H 1 8.20 0 . 1 . . . . . 78 ASP H . 50849 1 193 . 1 . 1 78 78 ASP CA C 13 54.36 0 . 1 . . . . . 78 ASP CA . 50849 1 194 . 1 . 1 78 78 ASP N N 15 122.49 0 . 1 . . . . . 78 ASP N . 50849 1 195 . 1 . 1 79 79 THR H H 1 8.02 0 . 1 . . . . . 79 THR H . 50849 1 196 . 1 . 1 79 79 THR CA C 13 61.91 0 . 1 . . . . . 79 THR CA . 50849 1 197 . 1 . 1 79 79 THR N N 15 115.41 0 . 1 . . . . . 79 THR N . 50849 1 198 . 1 . 1 80 80 ASP H H 1 8.37 0 . 1 . . . . . 80 ASP H . 50849 1 199 . 1 . 1 80 80 ASP CA C 13 54.27 0 . 1 . . . . . 80 ASP CA . 50849 1 200 . 1 . 1 80 80 ASP N N 15 124.21 0 . 1 . . . . . 80 ASP N . 50849 1 201 . 1 . 1 81 81 SER H H 1 8.41 0 . 1 . . . . . 81 SER H . 50849 1 202 . 1 . 1 81 81 SER CA C 13 58.81 0 . 1 . . . . . 81 SER CA . 50849 1 203 . 1 . 1 81 81 SER N N 15 118.04 0 . 1 . . . . . 81 SER N . 50849 1 204 . 1 . 1 82 82 GLU H H 1 8.45 0 . 1 . . . . . 82 GLU H . 50849 1 205 . 1 . 1 82 82 GLU CA C 13 58.17 0 . 1 . . . . . 82 GLU CA . 50849 1 206 . 1 . 1 82 82 GLU N N 15 123.30 0 . 1 . . . . . 82 GLU N . 50849 1 207 . 1 . 1 83 83 GLU H H 1 8.23 0 . 1 . . . . . 83 GLU H . 50849 1 208 . 1 . 1 83 83 GLU CA C 13 59.24 0 . 1 . . . . . 83 GLU CA . 50849 1 209 . 1 . 1 83 83 GLU N N 15 120.19 0 . 1 . . . . . 83 GLU N . 50849 1 210 . 1 . 1 84 84 GLU H H 1 8.10 0 . 1 . . . . . 84 GLU H . 50849 1 211 . 1 . 1 84 84 GLU CA C 13 59.30 0 . 1 . . . . . 84 GLU CA . 50849 1 212 . 1 . 1 84 84 GLU N N 15 119.90 0 . 1 . . . . . 84 GLU N . 50849 1 213 . 1 . 1 85 85 ILE H H 1 7.97 0 . 1 . . . . . 85 ILE H . 50849 1 214 . 1 . 1 85 85 ILE CA C 13 65.04 0 . 1 . . . . . 85 ILE CA . 50849 1 215 . 1 . 1 85 85 ILE N N 15 122.65 0 . 1 . . . . . 85 ILE N . 50849 1 216 . 1 . 1 86 86 ARG H H 1 8.41 0 . 1 . . . . . 86 ARG H . 50849 1 217 . 1 . 1 86 86 ARG CA C 13 59.61 0 . 1 . . . . . 86 ARG CA . 50849 1 218 . 1 . 1 86 86 ARG N N 15 122.55 0 . 1 . . . . . 86 ARG N . 50849 1 219 . 1 . 1 87 87 GLU H H 1 8.21 0 . 1 . . . . . 87 GLU H . 50849 1 220 . 1 . 1 87 87 GLU CA C 13 58.52 0 . 1 . . . . . 87 GLU CA . 50849 1 221 . 1 . 1 87 87 GLU N N 15 119.23 0 . 1 . . . . . 87 GLU N . 50849 1 222 . 1 . 1 88 88 ALA H H 1 8.02 0 . 1 . . . . . 88 ALA H . 50849 1 223 . 1 . 1 88 88 ALA CA C 13 54.78 0 . 1 . . . . . 88 ALA CA . 50849 1 224 . 1 . 1 88 88 ALA N N 15 122.07 0 . 1 . . . . . 88 ALA N . 50849 1 225 . 1 . 1 89 89 PHE H H 1 8.64 0 . 1 . . . . . 89 PHE H . 50849 1 226 . 1 . 1 89 89 PHE CA C 13 62.46 0 . 1 . . . . . 89 PHE CA . 50849 1 227 . 1 . 1 89 89 PHE N N 15 119.49 0 . 1 . . . . . 89 PHE N . 50849 1 228 . 1 . 1 90 90 ARG H H 1 7.66 0 . 1 . . . . . 90 ARG H . 50849 1 229 . 1 . 1 90 90 ARG CA C 13 58.35 0 . 1 . . . . . 90 ARG CA . 50849 1 230 . 1 . 1 90 90 ARG N N 15 115.80 0 . 1 . . . . . 90 ARG N . 50849 1 231 . 1 . 1 91 91 VAL H H 1 7.41 0 . 1 . . . . . 91 VAL H . 50849 1 232 . 1 . 1 91 91 VAL CA C 13 65.28 0 . 1 . . . . . 91 VAL CA . 50849 1 233 . 1 . 1 91 91 VAL N N 15 119.17 0 . 1 . . . . . 91 VAL N . 50849 1 234 . 1 . 1 92 92 PHE H H 1 7.34 0 . 1 . . . . . 92 PHE H . 50849 1 235 . 1 . 1 92 92 PHE CA C 13 59.60 0 . 1 . . . . . 92 PHE CA . 50849 1 236 . 1 . 1 92 92 PHE N N 15 116.89 0 . 1 . . . . . 92 PHE N . 50849 1 237 . 1 . 1 93 93 ASP H H 1 7.88 0 . 1 . . . . . 93 ASP H . 50849 1 238 . 1 . 1 93 93 ASP CA C 13 51.46 0 . 1 . . . . . 93 ASP CA . 50849 1 239 . 1 . 1 93 93 ASP N N 15 116.60 0 . 1 . . . . . 93 ASP N . 50849 1 240 . 1 . 1 94 94 LYS H H 1 7.48 0 . 1 . . . . . 94 LYS H . 50849 1 241 . 1 . 1 94 94 LYS CA C 13 58.72 0 . 1 . . . . . 94 LYS CA . 50849 1 242 . 1 . 1 94 94 LYS N N 15 126.25 0 . 1 . . . . . 94 LYS N . 50849 1 243 . 1 . 1 95 95 ASP H H 1 8.27 0 . 1 . . . . . 95 ASP H . 50849 1 244 . 1 . 1 95 95 ASP CA C 13 52.66 0 . 1 . . . . . 95 ASP CA . 50849 1 245 . 1 . 1 95 95 ASP N N 15 114.96 0 . 1 . . . . . 95 ASP N . 50849 1 246 . 1 . 1 96 96 GLY H H 1 7.81 0 . 1 . . . . . 96 GLY H . 50849 1 247 . 1 . 1 96 96 GLY CA C 13 46.55 0 . 1 . . . . . 96 GLY CA . 50849 1 248 . 1 . 1 96 96 GLY N N 15 110.26 0 . 1 . . . . . 96 GLY N . 50849 1 249 . 1 . 1 97 97 ASN H H 1 8.33 0 . 1 . . . . . 97 ASN H . 50849 1 250 . 1 . 1 97 97 ASN CA C 13 52.26 0 . 1 . . . . . 97 ASN CA . 50849 1 251 . 1 . 1 97 97 ASN N N 15 120.64 0 . 1 . . . . . 97 ASN N . 50849 1 252 . 1 . 1 98 98 GLY H H 1 10.70 0 . 1 . . . . . 98 GLY H . 50849 1 253 . 1 . 1 98 98 GLY CA C 13 44.47 0 . 1 . . . . . 98 GLY CA . 50849 1 254 . 1 . 1 98 98 GLY N N 15 113.67 0 . 1 . . . . . 98 GLY N . 50849 1 255 . 1 . 1 99 99 TYR H H 1 7.60 0 . 1 . . . . . 99 TYR H . 50849 1 256 . 1 . 1 99 99 TYR CA C 13 55.53 0 . 1 . . . . . 99 TYR CA . 50849 1 257 . 1 . 1 99 99 TYR N N 15 116.99 0 . 1 . . . . . 99 TYR N . 50849 1 258 . 1 . 1 100 100 ILE H H 1 10.21 0 . 1 . . . . . 100 ILE H . 50849 1 259 . 1 . 1 100 100 ILE CA C 13 60.76 0 . 1 . . . . . 100 ILE CA . 50849 1 260 . 1 . 1 100 100 ILE N N 15 128.02 0 . 1 . . . . . 100 ILE N . 50849 1 261 . 1 . 1 101 101 SER H H 1 8.86 0 . 1 . . . . . 101 SER H . 50849 1 262 . 1 . 1 101 101 SER CA C 13 55.12 0 . 1 . . . . . 101 SER CA . 50849 1 263 . 1 . 1 101 101 SER N N 15 124.45 0 . 1 . . . . . 101 SER N . 50849 1 264 . 1 . 1 102 102 ALA H H 1 9.24 0 . 1 . . . . . 102 ALA H . 50849 1 265 . 1 . 1 102 102 ALA CA C 13 55.32 0 . 1 . . . . . 102 ALA CA . 50849 1 266 . 1 . 1 102 102 ALA N N 15 124.06 0 . 1 . . . . . 102 ALA N . 50849 1 267 . 1 . 1 103 103 ALA H H 1 8.26 0 . 1 . . . . . 103 ALA H . 50849 1 268 . 1 . 1 103 103 ALA CA C 13 54.80 0 . 1 . . . . . 103 ALA CA . 50849 1 269 . 1 . 1 103 103 ALA N N 15 119.30 0 . 1 . . . . . 103 ALA N . 50849 1 270 . 1 . 1 104 104 GLU H H 1 7.73 0 . 1 . . . . . 104 GLU H . 50849 1 271 . 1 . 1 104 104 GLU CA C 13 58.90 0 . 1 . . . . . 104 GLU CA . 50849 1 272 . 1 . 1 104 104 GLU N N 15 121.06 0 . 1 . . . . . 104 GLU N . 50849 1 273 . 1 . 1 105 105 LEU H H 1 8.37 0 . 1 . . . . . 105 LEU H . 50849 1 274 . 1 . 1 105 105 LEU CA C 13 57.61 0 . 1 . . . . . 105 LEU CA . 50849 1 275 . 1 . 1 105 105 LEU N N 15 122.13 0 . 1 . . . . . 105 LEU N . 50849 1 276 . 1 . 1 106 106 ARG H H 1 8.44 0 . 1 . . . . . 106 ARG H . 50849 1 277 . 1 . 1 106 106 ARG CA C 13 59.51 0 . 1 . . . . . 106 ARG CA . 50849 1 278 . 1 . 1 106 106 ARG N N 15 118.52 0 . 1 . . . . . 106 ARG N . 50849 1 279 . 1 . 1 107 107 HIS H H 1 7.73 0 . 1 . . . . . 107 HIS H . 50849 1 280 . 1 . 1 107 107 HIS CA C 13 59.00 0 . 1 . . . . . 107 HIS CA . 50849 1 281 . 1 . 1 107 107 HIS N N 15 120.94 0 . 1 . . . . . 107 HIS N . 50849 1 282 . 1 . 1 108 108 VAL H H 1 8.12 0 . 1 . . . . . 108 VAL H . 50849 1 283 . 1 . 1 108 108 VAL CA C 13 66.00 0 . 1 . . . . . 108 VAL CA . 50849 1 284 . 1 . 1 108 108 VAL N N 15 120.54 0 . 1 . . . . . 108 VAL N . 50849 1 285 . 1 . 1 109 109 MET H H 1 8.41 0 . 1 . . . . . 109 MET H . 50849 1 286 . 1 . 1 109 109 MET CA C 13 59.29 0 . 1 . . . . . 109 MET CA . 50849 1 287 . 1 . 1 109 109 MET N N 15 118.54 0 . 1 . . . . . 109 MET N . 50849 1 288 . 1 . 1 110 110 THR H H 1 8.08 0 . 1 . . . . . 110 THR H . 50849 1 289 . 1 . 1 110 110 THR CA C 13 65.89 0 . 1 . . . . . 110 THR CA . 50849 1 290 . 1 . 1 110 110 THR N N 15 116.29 0 . 1 . . . . . 110 THR N . 50849 1 291 . 1 . 1 111 111 ASN H H 1 7.90 0 . 1 . . . . . 111 ASN H . 50849 1 292 . 1 . 1 111 111 ASN CA C 13 55.41 0 . 1 . . . . . 111 ASN CA . 50849 1 293 . 1 . 1 111 111 ASN N N 15 123.29 0 . 1 . . . . . 111 ASN N . 50849 1 294 . 1 . 1 112 112 LEU H H 1 7.67 0 . 1 . . . . . 112 LEU H . 50849 1 295 . 1 . 1 112 112 LEU CA C 13 54.45 0 . 1 . . . . . 112 LEU CA . 50849 1 296 . 1 . 1 112 112 LEU N N 15 118.81 0 . 1 . . . . . 112 LEU N . 50849 1 297 . 1 . 1 113 113 GLY H H 1 7.70 0 . 1 . . . . . 113 GLY H . 50849 1 298 . 1 . 1 113 113 GLY CA C 13 45.22 0 . 1 . . . . . 113 GLY CA . 50849 1 299 . 1 . 1 113 113 GLY N N 15 107.14 0 . 1 . . . . . 113 GLY N . 50849 1 300 . 1 . 1 114 114 GLU H H 1 7.54 0 . 1 . . . . . 114 GLU H . 50849 1 301 . 1 . 1 114 114 GLU CA C 13 54.41 0 . 1 . . . . . 114 GLU CA . 50849 1 302 . 1 . 1 114 114 GLU N N 15 119.92 0 . 1 . . . . . 114 GLU N . 50849 1 303 . 1 . 1 115 115 LYS H H 1 8.59 0 . 1 . . . . . 115 LYS H . 50849 1 304 . 1 . 1 115 115 LYS CA C 13 54.97 0 . 1 . . . . . 115 LYS CA . 50849 1 305 . 1 . 1 115 115 LYS N N 15 122.94 0 . 1 . . . . . 115 LYS N . 50849 1 306 . 1 . 1 116 116 LEU H H 1 7.48 0 . 1 . . . . . 116 LEU H . 50849 1 307 . 1 . 1 116 116 LEU CA C 13 54.05 0 . 1 . . . . . 116 LEU CA . 50849 1 308 . 1 . 1 116 116 LEU N N 15 124.62 0 . 1 . . . . . 116 LEU N . 50849 1 309 . 1 . 1 117 117 THR H H 1 9.02 0 . 1 . . . . . 117 THR H . 50849 1 310 . 1 . 1 117 117 THR CA C 13 60.55 0 . 1 . . . . . 117 THR CA . 50849 1 311 . 1 . 1 117 117 THR N N 15 114.64 0 . 1 . . . . . 117 THR N . 50849 1 312 . 1 . 1 118 118 ASP H H 1 8.85 0 . 1 . . . . . 118 ASP H . 50849 1 313 . 1 . 1 118 118 ASP CA C 13 57.56 0 . 1 . . . . . 118 ASP CA . 50849 1 314 . 1 . 1 118 118 ASP N N 15 122.10 0 . 1 . . . . . 118 ASP N . 50849 1 315 . 1 . 1 119 119 GLU H H 1 8.57 0 . 1 . . . . . 119 GLU H . 50849 1 316 . 1 . 1 119 119 GLU CA C 13 59.34 0 . 1 . . . . . 119 GLU CA . 50849 1 317 . 1 . 1 119 119 GLU N N 15 120.12 0 . 1 . . . . . 119 GLU N . 50849 1 318 . 1 . 1 120 120 GLU H H 1 8.09 0 . 1 . . . . . 120 GLU H . 50849 1 319 . 1 . 1 120 120 GLU CA C 13 59.20 0 . 1 . . . . . 120 GLU CA . 50849 1 320 . 1 . 1 120 120 GLU N N 15 119.87 0 . 1 . . . . . 120 GLU N . 50849 1 321 . 1 . 1 121 121 VAL H H 1 8.12 0 . 1 . . . . . 121 VAL H . 50849 1 322 . 1 . 1 121 121 VAL CA C 13 66.38 0 . 1 . . . . . 121 VAL CA . 50849 1 323 . 1 . 1 121 121 VAL N N 15 123.62 0 . 1 . . . . . 121 VAL N . 50849 1 324 . 1 . 1 122 122 ASP H H 1 8.13 0 . 1 . . . . . 122 ASP H . 50849 1 325 . 1 . 1 122 122 ASP CA C 13 57.31 0 . 1 . . . . . 122 ASP CA . 50849 1 326 . 1 . 1 122 122 ASP N N 15 121.06 0 . 1 . . . . . 122 ASP N . 50849 1 327 . 1 . 1 123 123 GLU H H 1 8.16 0 . 1 . . . . . 123 GLU H . 50849 1 328 . 1 . 1 123 123 GLU CA C 13 58.84 0 . 1 . . . . . 123 GLU CA . 50849 1 329 . 1 . 1 123 123 GLU N N 15 120.28 0 . 1 . . . . . 123 GLU N . 50849 1 330 . 1 . 1 124 124 MET H H 1 7.71 0 . 1 . . . . . 124 MET H . 50849 1 331 . 1 . 1 124 124 MET CA C 13 60.80 0 . 1 . . . . . 124 MET CA . 50849 1 332 . 1 . 1 124 124 MET N N 15 119.87 0 . 1 . . . . . 124 MET N . 50849 1 333 . 1 . 1 125 125 ILE H H 1 7.67 0 . 1 . . . . . 125 ILE H . 50849 1 334 . 1 . 1 125 125 ILE CA C 13 62.26 0 . 1 . . . . . 125 ILE CA . 50849 1 335 . 1 . 1 125 125 ILE N N 15 120.19 0 . 1 . . . . . 125 ILE N . 50849 1 336 . 1 . 1 127 127 GLU H H 1 8.22 0 . 1 . . . . . 127 GLU H . 50849 1 337 . 1 . 1 127 127 GLU CA C 13 57.26 0 . 1 . . . . . 127 GLU CA . 50849 1 338 . 1 . 1 127 127 GLU N N 15 115.97 0 . 1 . . . . . 127 GLU N . 50849 1 339 . 1 . 1 128 128 ALA H H 1 7.13 0 . 1 . . . . . 128 ALA H . 50849 1 340 . 1 . 1 128 128 ALA CA C 13 51.48 0 . 1 . . . . . 128 ALA CA . 50849 1 341 . 1 . 1 128 128 ALA N N 15 118.15 0 . 1 . . . . . 128 ALA N . 50849 1 342 . 1 . 1 129 129 ASP H H 1 7.80 0 . 1 . . . . . 129 ASP H . 50849 1 343 . 1 . 1 129 129 ASP CA C 13 53.76 0 . 1 . . . . . 129 ASP CA . 50849 1 344 . 1 . 1 129 129 ASP N N 15 118.38 0 . 1 . . . . . 129 ASP N . 50849 1 345 . 1 . 1 130 130 ILE H H 1 8.22 0 . 1 . . . . . 130 ILE H . 50849 1 346 . 1 . 1 130 130 ILE CA C 13 62.96 0 . 1 . . . . . 130 ILE CA . 50849 1 347 . 1 . 1 130 130 ILE N N 15 128.65 0 . 1 . . . . . 130 ILE N . 50849 1 348 . 1 . 1 131 131 ASP H H 1 8.29 0 . 1 . . . . . 131 ASP H . 50849 1 349 . 1 . 1 131 131 ASP CA C 13 53.49 0 . 1 . . . . . 131 ASP CA . 50849 1 350 . 1 . 1 131 131 ASP N N 15 117.34 0 . 1 . . . . . 131 ASP N . 50849 1 351 . 1 . 1 132 132 GLY H H 1 7.56 0 . 1 . . . . . 132 GLY H . 50849 1 352 . 1 . 1 132 132 GLY CA C 13 47.06 0 . 1 . . . . . 132 GLY CA . 50849 1 353 . 1 . 1 132 132 GLY N N 15 109.48 0 . 1 . . . . . 132 GLY N . 50849 1 354 . 1 . 1 133 133 ASP H H 1 8.33 0 . 1 . . . . . 133 ASP H . 50849 1 355 . 1 . 1 133 133 ASP CA C 13 53.18 0 . 1 . . . . . 133 ASP CA . 50849 1 356 . 1 . 1 133 133 ASP N N 15 121.83 0 . 1 . . . . . 133 ASP N . 50849 1 357 . 1 . 1 134 134 GLY H H 1 10.30 0 . 1 . . . . . 134 GLY H . 50849 1 358 . 1 . 1 134 134 GLY CA C 13 45.27 0 . 1 . . . . . 134 GLY CA . 50849 1 359 . 1 . 1 134 134 GLY N N 15 113.58 0 . 1 . . . . . 134 GLY N . 50849 1 360 . 1 . 1 135 135 GLN H H 1 7.91 0 . 1 . . . . . 135 GLN H . 50849 1 361 . 1 . 1 135 135 GLN CA C 13 52.89 0 . 1 . . . . . 135 GLN CA . 50849 1 362 . 1 . 1 135 135 GLN N N 15 115.85 0 . 1 . . . . . 135 GLN N . 50849 1 363 . 1 . 1 136 136 VAL H H 1 9.09 0 . 1 . . . . . 136 VAL H . 50849 1 364 . 1 . 1 136 136 VAL CA C 13 61.37 0 . 1 . . . . . 136 VAL CA . 50849 1 365 . 1 . 1 136 136 VAL N N 15 126.40 0 . 1 . . . . . 136 VAL N . 50849 1 366 . 1 . 1 137 137 ASN H H 1 9.53 0 . 1 . . . . . 137 ASN H . 50849 1 367 . 1 . 1 137 137 ASN CA C 13 50.56 0 . 1 . . . . . 137 ASN CA . 50849 1 368 . 1 . 1 137 137 ASN N N 15 130.17 0 . 1 . . . . . 137 ASN N . 50849 1 369 . 1 . 1 138 138 TYR H H 1 8.36 0 . 1 . . . . . 138 TYR H . 50849 1 370 . 1 . 1 138 138 TYR CA C 13 61.80 0 . 1 . . . . . 138 TYR CA . 50849 1 371 . 1 . 1 138 138 TYR N N 15 119.49 0 . 1 . . . . . 138 TYR N . 50849 1 372 . 1 . 1 139 139 GLU H H 1 8.02 0 . 1 . . . . . 139 GLU H . 50849 1 373 . 1 . 1 139 139 GLU CA C 13 59.74 0 . 1 . . . . . 139 GLU CA . 50849 1 374 . 1 . 1 139 139 GLU N N 15 119.35 0 . 1 . . . . . 139 GLU N . 50849 1 375 . 1 . 1 141 141 PHE H H 1 8.45 0 . 1 . . . . . 141 PHE H . 50849 1 376 . 1 . 1 141 141 PHE CA C 13 61.12 0 . 1 . . . . . 141 PHE CA . 50849 1 377 . 1 . 1 141 141 PHE N N 15 124.45 0 . 1 . . . . . 141 PHE N . 50849 1 378 . 1 . 1 142 142 VAL H H 1 8.51 0 . 1 . . . . . 142 VAL H . 50849 1 379 . 1 . 1 142 142 VAL CA C 13 66.52 0 . 1 . . . . . 142 VAL CA . 50849 1 380 . 1 . 1 142 142 VAL N N 15 120.09 0 . 1 . . . . . 142 VAL N . 50849 1 381 . 1 . 1 143 143 GLN H H 1 7.52 0 . 1 . . . . . 143 GLN H . 50849 1 382 . 1 . 1 143 143 GLN CA C 13 58.28 0 . 1 . . . . . 143 GLN CA . 50849 1 383 . 1 . 1 143 143 GLN N N 15 119.23 0 . 1 . . . . . 143 GLN N . 50849 1 384 . 1 . 1 144 144 MET H H 1 7.21 0 . 1 . . . . . 144 MET H . 50849 1 385 . 1 . 1 144 144 MET CA C 13 55.82 0 . 1 . . . . . 144 MET CA . 50849 1 386 . 1 . 1 144 144 MET N N 15 117.31 0 . 1 . . . . . 144 MET N . 50849 1 387 . 1 . 1 145 145 MET H H 1 7.39 0 . 1 . . . . . 145 MET H . 50849 1 388 . 1 . 1 145 145 MET CA C 13 54.20 0 . 1 . . . . . 145 MET CA . 50849 1 389 . 1 . 1 145 145 MET N N 15 114.69 0 . 1 . . . . . 145 MET N . 50849 1 390 . 1 . 1 146 146 THR H H 1 7.40 0 . 1 . . . . . 146 THR H . 50849 1 391 . 1 . 1 146 146 THR CA C 13 61.20 0 . 1 . . . . . 146 THR CA . 50849 1 392 . 1 . 1 146 146 THR N N 15 109.78 0 . 1 . . . . . 146 THR N . 50849 1 393 . 1 . 1 147 147 ALA H H 1 7.55 0 . 1 . . . . . 147 ALA H . 50849 1 394 . 1 . 1 147 147 ALA CA C 13 52.29 0 . 1 . . . . . 147 ALA CA . 50849 1 395 . 1 . 1 147 147 ALA N N 15 127.59 0 . 1 . . . . . 147 ALA N . 50849 1 396 . 1 . 1 148 148 LYS H H 1 7.82 0 . 1 . . . . . 148 LYS H . 50849 1 397 . 1 . 1 148 148 LYS CA C 13 56.94 0 . 1 . . . . . 148 LYS CA . 50849 1 398 . 1 . 1 148 148 LYS N N 15 127.09 0 . 1 . . . . . 148 LYS N . 50849 1 stop_ save_