data_5287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5287 _Entry.Title ; Backbone 1H and 15N Chemical shift assigments for [2H,15N]CaM:CaMKI(320) complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-12 _Entry.Accession_date 2002-02-13 _Entry.Last_release_date 2002-06-13 _Entry.Original_release_date 2002-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 James Kranz . K. . 5287 2 Eun Lee . K. . 5287 3 Angus Nairn . C. . 5287 4 A. Wand . Joshua . 5287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 144 5287 '15N chemical shifts' 144 5287 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 . . 2002-06-13 2002-02-12 original author . 5287 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5227 'smMLCK:CaM complex (Calmodulin with different kinase recognition domain).' 5287 BMRB 5286 'CaM:CaMKIp(299-320) complex' 5287 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21988207 _Citation.DOI . _Citation.PubMed_ID 11904288 _Citation.Full_citation . _Citation.Title ; A Direct Test of the Reductionist Approach to Structural Studies of Calmodulin Activity: Relevance of Peptide Models of Target Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 19 _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 16351 _Citation.Page_last 16354 _Citation.Year 2002 _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.Entry_ID _Citation_author.Citation_ID 1 James Kranz . K. . 5287 1 2 Eun Lee . K. . 5287 1 3 Angus Nairn . C. . 5287 1 4 A. Wand . Joshua . 5287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CaM_CaMKI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CaM_CaMKI _Assembly.Entry_ID 5287 _Assembly.ID 1 _Assembly.Name 'CaM:CaMKI(320) complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5287 1 stop_ 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 $CaM . . . native . . . . . 5287 1 2 'CaM-dependent kinase I (1-320)' 2 $CaMKI . . . native . . . . . 5287 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CaM:CaMKI(320) complex' system 5287 1 CaM abbreviation 5287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 5287 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 16706 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A06 . "Calmodulin-Dependent Protein Kinase From Rat" . . . . . 94.12 332 100.00 100.00 0.00e+00 . . . . 5287 1 2 no PDB 4FG7 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-293 In Complex With Atp" . . . . . 86.18 293 99.32 99.66 0.00e+00 . . . . 5287 1 3 no PDB 4FG8 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-315 In Complex With Atp" . . . . . 92.65 315 99.37 99.68 0.00e+00 . . . . 5287 1 4 no PDB 4FG9 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-320 In Complex With Atp" . . . . . 94.12 320 99.38 99.69 0.00e+00 . . . . 5287 1 5 no PDB 4FGB . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I Apo Form" . . . . . 94.12 320 99.38 99.69 0.00e+00 . . . . 5287 1 6 no DBJ BAC40950 . "unnamed protein product [Mus musculus]" . . . . . 87.94 299 100.00 100.00 0.00e+00 . . . . 5287 1 7 no DBJ BAE22345 . "unnamed protein product [Mus musculus]" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 8 no DBJ BAG37428 . "unnamed protein product [Homo sapiens]" . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 1 9 no DBJ BAG70091 . "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 94.12 370 99.06 99.38 0.00e+00 . . . . 5287 1 10 no DBJ BAG70221 . "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 94.12 370 99.06 99.38 0.00e+00 . . . . 5287 1 11 no GB AAA19670 . "protein kinase I [Rattus norvegicus]" . . . . . 94.12 332 99.06 99.06 0.00e+00 . . . . 5287 1 12 no GB AAA66944 . "CaM-like protein kinase [Rattus norvegicus]" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 13 no GB AAA99458 . "cam kinase I [Homo sapiens]" . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 1 14 no GB AAH14825 . "Calcium/calmodulin-dependent protein kinase I [Mus musculus]" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 15 no GB AAH71177 . "Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 16 no PRF 2024225A . "Ca/calmodulin protein kinase I" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 17 no REF NP_001070336 . "calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" . . . . . 94.12 370 98.75 99.06 0.00e+00 . . . . 5287 1 18 no REF NP_001177124 . "calcium/calmodulin-dependent protein kinase type 1 [Sus scrofa]" . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 1 19 no REF NP_001244800 . "calcium/calmodulin-dependent protein kinase type 1 [Macaca mulatta]" . . . . . 94.12 370 100.00 100.00 0.00e+00 . . . . 5287 1 20 no REF NP_003647 . "calcium/calmodulin-dependent protein kinase type 1 [Homo sapiens]" . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 1 21 no REF NP_598687 . "calcium/calmodulin-dependent protein kinase type 1 [Mus musculus]" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 22 no SP Q14012 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 1 23 no SP Q63450 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 24 no SP Q91YS8 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 1 25 no TPG DAA17160 . "TPA: calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" . . . . . 94.12 370 98.75 99.06 0.00e+00 . . . . 5287 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID calmodulin common 5287 1 CaM abbreviation 5287 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 5287 1 2 . ASP . 5287 1 3 . GLN . 5287 1 4 . LEU . 5287 1 5 . THR . 5287 1 6 . GLU . 5287 1 7 . GLU . 5287 1 8 . GLN . 5287 1 9 . ILE . 5287 1 10 . ALA . 5287 1 11 . GLU . 5287 1 12 . PHE . 5287 1 13 . LYS . 5287 1 14 . GLU . 5287 1 15 . ALA . 5287 1 16 . PHE . 5287 1 17 . SER . 5287 1 18 . LEU . 5287 1 19 . PHE . 5287 1 20 . ASP . 5287 1 21 . LYS . 5287 1 22 . ASP . 5287 1 23 . GLY . 5287 1 24 . ASP . 5287 1 25 . GLY . 5287 1 26 . THR . 5287 1 27 . ILE . 5287 1 28 . THR . 5287 1 29 . THR . 5287 1 30 . LYS . 5287 1 31 . GLU . 5287 1 32 . LEU . 5287 1 33 . GLY . 5287 1 34 . THR . 5287 1 35 . VAL . 5287 1 36 . MET . 5287 1 37 . ARG . 5287 1 38 . SER . 5287 1 39 . LEU . 5287 1 40 . GLY . 5287 1 41 . GLN . 5287 1 42 . ASN . 5287 1 43 . PRO . 5287 1 44 . THR . 5287 1 45 . GLU . 5287 1 46 . ALA . 5287 1 47 . GLU . 5287 1 48 . LEU . 5287 1 49 . GLN . 5287 1 50 . ASP . 5287 1 51 . MET . 5287 1 52 . ILE . 5287 1 53 . ASN . 5287 1 54 . GLU . 5287 1 55 . VAL . 5287 1 56 . ASP . 5287 1 57 . ALA . 5287 1 58 . ASP . 5287 1 59 . GLY . 5287 1 60 . ASN . 5287 1 61 . GLY . 5287 1 62 . THR . 5287 1 63 . ILE . 5287 1 64 . ASP . 5287 1 65 . PHE . 5287 1 66 . PRO . 5287 1 67 . GLU . 5287 1 68 . PHE . 5287 1 69 . LEU . 5287 1 70 . THR . 5287 1 71 . MET . 5287 1 72 . MET . 5287 1 73 . ALA . 5287 1 74 . ARG . 5287 1 75 . LYS . 5287 1 76 . MET . 5287 1 77 . LYS . 5287 1 78 . ASP . 5287 1 79 . THR . 5287 1 80 . ASP . 5287 1 81 . SER . 5287 1 82 . GLU . 5287 1 83 . GLU . 5287 1 84 . GLU . 5287 1 85 . ILE . 5287 1 86 . ARG . 5287 1 87 . GLU . 5287 1 88 . ALA . 5287 1 89 . PHE . 5287 1 90 . ARG . 5287 1 91 . VAL . 5287 1 92 . PHE . 5287 1 93 . ASP . 5287 1 94 . LYS . 5287 1 95 . ASP . 5287 1 96 . GLY . 5287 1 97 . ASN . 5287 1 98 . GLY . 5287 1 99 . TYR . 5287 1 100 . ILE . 5287 1 101 . SER . 5287 1 102 . ALA . 5287 1 103 . ALA . 5287 1 104 . GLU . 5287 1 105 . LEU . 5287 1 106 . ARG . 5287 1 107 . HIS . 5287 1 108 . VAL . 5287 1 109 . MET . 5287 1 110 . THR . 5287 1 111 . ASN . 5287 1 112 . LEU . 5287 1 113 . GLY . 5287 1 114 . GLU . 5287 1 115 . LYS . 5287 1 116 . LEU . 5287 1 117 . THR . 5287 1 118 . ASP . 5287 1 119 . GLU . 5287 1 120 . GLU . 5287 1 121 . VAL . 5287 1 122 . ASP . 5287 1 123 . GLU . 5287 1 124 . MET . 5287 1 125 . ILE . 5287 1 126 . ARG . 5287 1 127 . GLU . 5287 1 128 . ALA . 5287 1 129 . ASP . 5287 1 130 . ILE . 5287 1 131 . ASP . 5287 1 132 . GLY . 5287 1 133 . ASP . 5287 1 134 . GLY . 5287 1 135 . GLN . 5287 1 136 . VAL . 5287 1 137 . ASN . 5287 1 138 . TYR . 5287 1 139 . GLU . 5287 1 140 . GLU . 5287 1 141 . PHE . 5287 1 142 . VAL . 5287 1 143 . GLN . 5287 1 144 . MET . 5287 1 145 . MET . 5287 1 146 . THR . 5287 1 147 . ALA . 5287 1 148 . LYS . 5287 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 5287 1 . ASP 2 2 5287 1 . GLN 3 3 5287 1 . LEU 4 4 5287 1 . THR 5 5 5287 1 . GLU 6 6 5287 1 . GLU 7 7 5287 1 . GLN 8 8 5287 1 . ILE 9 9 5287 1 . ALA 10 10 5287 1 . GLU 11 11 5287 1 . PHE 12 12 5287 1 . LYS 13 13 5287 1 . GLU 14 14 5287 1 . ALA 15 15 5287 1 . PHE 16 16 5287 1 . SER 17 17 5287 1 . LEU 18 18 5287 1 . PHE 19 19 5287 1 . ASP 20 20 5287 1 . LYS 21 21 5287 1 . ASP 22 22 5287 1 . GLY 23 23 5287 1 . ASP 24 24 5287 1 . GLY 25 25 5287 1 . THR 26 26 5287 1 . ILE 27 27 5287 1 . THR 28 28 5287 1 . THR 29 29 5287 1 . LYS 30 30 5287 1 . GLU 31 31 5287 1 . LEU 32 32 5287 1 . GLY 33 33 5287 1 . THR 34 34 5287 1 . VAL 35 35 5287 1 . MET 36 36 5287 1 . ARG 37 37 5287 1 . SER 38 38 5287 1 . LEU 39 39 5287 1 . GLY 40 40 5287 1 . GLN 41 41 5287 1 . ASN 42 42 5287 1 . PRO 43 43 5287 1 . THR 44 44 5287 1 . GLU 45 45 5287 1 . ALA 46 46 5287 1 . GLU 47 47 5287 1 . LEU 48 48 5287 1 . GLN 49 49 5287 1 . ASP 50 50 5287 1 . MET 51 51 5287 1 . ILE 52 52 5287 1 . ASN 53 53 5287 1 . GLU 54 54 5287 1 . VAL 55 55 5287 1 . ASP 56 56 5287 1 . ALA 57 57 5287 1 . ASP 58 58 5287 1 . GLY 59 59 5287 1 . ASN 60 60 5287 1 . GLY 61 61 5287 1 . THR 62 62 5287 1 . ILE 63 63 5287 1 . ASP 64 64 5287 1 . PHE 65 65 5287 1 . PRO 66 66 5287 1 . GLU 67 67 5287 1 . PHE 68 68 5287 1 . LEU 69 69 5287 1 . THR 70 70 5287 1 . MET 71 71 5287 1 . MET 72 72 5287 1 . ALA 73 73 5287 1 . ARG 74 74 5287 1 . LYS 75 75 5287 1 . MET 76 76 5287 1 . LYS 77 77 5287 1 . ASP 78 78 5287 1 . THR 79 79 5287 1 . ASP 80 80 5287 1 . SER 81 81 5287 1 . GLU 82 82 5287 1 . GLU 83 83 5287 1 . GLU 84 84 5287 1 . ILE 85 85 5287 1 . ARG 86 86 5287 1 . GLU 87 87 5287 1 . ALA 88 88 5287 1 . PHE 89 89 5287 1 . ARG 90 90 5287 1 . VAL 91 91 5287 1 . PHE 92 92 5287 1 . ASP 93 93 5287 1 . LYS 94 94 5287 1 . ASP 95 95 5287 1 . GLY 96 96 5287 1 . ASN 97 97 5287 1 . GLY 98 98 5287 1 . TYR 99 99 5287 1 . ILE 100 100 5287 1 . SER 101 101 5287 1 . ALA 102 102 5287 1 . ALA 103 103 5287 1 . GLU 104 104 5287 1 . LEU 105 105 5287 1 . ARG 106 106 5287 1 . HIS 107 107 5287 1 . VAL 108 108 5287 1 . MET 109 109 5287 1 . THR 110 110 5287 1 . ASN 111 111 5287 1 . LEU 112 112 5287 1 . GLY 113 113 5287 1 . GLU 114 114 5287 1 . LYS 115 115 5287 1 . LEU 116 116 5287 1 . THR 117 117 5287 1 . ASP 118 118 5287 1 . GLU 119 119 5287 1 . GLU 120 120 5287 1 . VAL 121 121 5287 1 . ASP 122 122 5287 1 . GLU 123 123 5287 1 . MET 124 124 5287 1 . ILE 125 125 5287 1 . ARG 126 126 5287 1 . GLU 127 127 5287 1 . ALA 128 128 5287 1 . ASP 129 129 5287 1 . ILE 130 130 5287 1 . ASP 131 131 5287 1 . GLY 132 132 5287 1 . ASP 133 133 5287 1 . GLY 134 134 5287 1 . GLN 135 135 5287 1 . VAL 136 136 5287 1 . ASN 137 137 5287 1 . TYR 138 138 5287 1 . GLU 139 139 5287 1 . GLU 140 140 5287 1 . PHE 141 141 5287 1 . VAL 142 142 5287 1 . GLN 143 143 5287 1 . MET 144 144 5287 1 . MET 145 145 5287 1 . THR 146 146 5287 1 . ALA 147 147 5287 1 . LYS 148 148 5287 1 stop_ save_ save_CaMKI _Entity.Sf_category entity _Entity.Sf_framecode CaMKI _Entity.Entry_ID 5287 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Ca2+/CaM-dependent (rat) protein kinase I' _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 ; MGSSHHHHHHSSGLVPRGSH MPGAVEGPRWKQAEDIRDIY DFRDVLGTGAFSEVILAEDK RTQKLVAIKCIAKKALEGKE GSMENEIAVLHKIKHPNIVA LDDIYESGGHLYLIMQLVSG GELFDRIVEKGFYTERDASR LIFQVLDAVKYLHDLGIVHR DLKPENLLYYSLDEDSKIMI SDFGLSKMEDPGSVLSTACG TPGYVAPEVLAQKPYSKAVD CWSIGVIAYILLCGYPPFYD ENDAKLFEQILKAEYEFDSP YWDDISDSAKDFIRHLMEKD PEKRFTCEQALQHPWIAGDT ALDKNIHQSVSEQIKKNFAK SKWKQAFNATAVVRHMRKLQ ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 340 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 36000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; According to the crystal structure of the kinase in the absence of CaM (J. Goldberg et al. (1996) Cell v.84:875-887), the residues Cys201 and Cys267 are disulfide bound, while the others are free (C50, C179, & C213). However, this has not been confirmed independently for this complex. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT Q63450 . 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . SWISS-PROT Q91YS8 . 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . REF XP_001095449 . 'PREDICTED: calcium/calmodulin-dependent protein kinase I [Macaca mulatta]' . . . . . 94.12 370 100.00 100.00 0.00e+00 . . . . 5287 2 . . SWISS-PROT Q14012 . 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 2 . . REF NP_598687 . 'calcium/calmodulin-dependent protein kinase I [Mus musculus]' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . REF NP_604463 . 'calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . REF NP_001070336 . 'calcium/calmodulin-dependent protein kinase I [Bos taurus]' . . . . . 94.12 370 98.75 99.06 0.00e+00 . . . . 5287 2 . . REF NP_003647 . 'calcium/calmodulin-dependent protein kinase I [Homo sapiens]' . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 2 . . GenBank AAH71177 . 'Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . PRF 2024225A . 'Ca/calmodulin protein kinase I' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . GenBank AAA99458 . 'cam kinase I' . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 2 . . GenBank AAH14825 . 'Calcium/calmodulin-dependent protein kinase I [Mus musculus]' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . GenBank AAA19670 . 'protein kinase I' . . . . . 94.12 332 99.06 99.06 0.00e+00 . . . . 5287 2 . . GenBank AAA66944 . 'CaM-like protein kinase' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . DBJ BAE22345 . 'unnamed protein product [Mus musculus]' . . . . . 94.12 374 100.00 100.00 0.00e+00 . . . . 5287 2 . . DBJ BAG37428 . 'unnamed protein product [Homo sapiens]' . . . . . 94.12 370 99.38 99.69 0.00e+00 . . . . 5287 2 . . PDB 1A06 . 'Calmodulin-Dependent Protein Kinase From Rat' . . . . . 94.12 332 100.00 100.00 0.00e+00 . . . . 5287 2 . . DBJ BAC40950 . 'unnamed protein product [Mus musculus]' . . . . . 87.94 299 100.00 100.00 7.27e-175 . . . . 5287 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ca2+/CaM-dependent (rat) protein kinase I' common 5287 2 CaMKI abbreviation 5287 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 -20 MET . 5287 2 2 -19 GLY . 5287 2 3 -18 SER . 5287 2 4 -17 SER . 5287 2 5 -16 HIS . 5287 2 6 -15 HIS . 5287 2 7 -14 HIS . 5287 2 8 -13 HIS . 5287 2 9 -12 HIS . 5287 2 10 -11 HIS . 5287 2 11 -10 SER . 5287 2 12 -9 SER . 5287 2 13 -8 GLY . 5287 2 14 -7 LEU . 5287 2 15 -6 VAL . 5287 2 16 -5 PRO . 5287 2 17 -4 ARG . 5287 2 18 -3 GLY . 5287 2 19 -2 SER . 5287 2 20 -1 HIS . 5287 2 21 1 MET . 5287 2 22 2 PRO . 5287 2 23 3 GLY . 5287 2 24 4 ALA . 5287 2 25 5 VAL . 5287 2 26 6 GLU . 5287 2 27 7 GLY . 5287 2 28 8 PRO . 5287 2 29 9 ARG . 5287 2 30 10 TRP . 5287 2 31 11 LYS . 5287 2 32 12 GLN . 5287 2 33 13 ALA . 5287 2 34 14 GLU . 5287 2 35 15 ASP . 5287 2 36 16 ILE . 5287 2 37 17 ARG . 5287 2 38 18 ASP . 5287 2 39 19 ILE . 5287 2 40 20 TYR . 5287 2 41 21 ASP . 5287 2 42 22 PHE . 5287 2 43 23 ARG . 5287 2 44 24 ASP . 5287 2 45 25 VAL . 5287 2 46 26 LEU . 5287 2 47 27 GLY . 5287 2 48 28 THR . 5287 2 49 29 GLY . 5287 2 50 30 ALA . 5287 2 51 31 PHE . 5287 2 52 32 SER . 5287 2 53 33 GLU . 5287 2 54 34 VAL . 5287 2 55 35 ILE . 5287 2 56 36 LEU . 5287 2 57 37 ALA . 5287 2 58 38 GLU . 5287 2 59 39 ASP . 5287 2 60 40 LYS . 5287 2 61 41 ARG . 5287 2 62 42 THR . 5287 2 63 43 GLN . 5287 2 64 44 LYS . 5287 2 65 45 LEU . 5287 2 66 46 VAL . 5287 2 67 47 ALA . 5287 2 68 48 ILE . 5287 2 69 49 LYS . 5287 2 70 50 CYS . 5287 2 71 51 ILE . 5287 2 72 52 ALA . 5287 2 73 53 LYS . 5287 2 74 54 LYS . 5287 2 75 55 ALA . 5287 2 76 56 LEU . 5287 2 77 57 GLU . 5287 2 78 58 GLY . 5287 2 79 59 LYS . 5287 2 80 60 GLU . 5287 2 81 61 GLY . 5287 2 82 62 SER . 5287 2 83 63 MET . 5287 2 84 64 GLU . 5287 2 85 65 ASN . 5287 2 86 66 GLU . 5287 2 87 67 ILE . 5287 2 88 68 ALA . 5287 2 89 69 VAL . 5287 2 90 70 LEU . 5287 2 91 71 HIS . 5287 2 92 72 LYS . 5287 2 93 73 ILE . 5287 2 94 74 LYS . 5287 2 95 75 HIS . 5287 2 96 76 PRO . 5287 2 97 77 ASN . 5287 2 98 78 ILE . 5287 2 99 79 VAL . 5287 2 100 80 ALA . 5287 2 101 81 LEU . 5287 2 102 82 ASP . 5287 2 103 83 ASP . 5287 2 104 84 ILE . 5287 2 105 85 TYR . 5287 2 106 86 GLU . 5287 2 107 87 SER . 5287 2 108 88 GLY . 5287 2 109 89 GLY . 5287 2 110 90 HIS . 5287 2 111 91 LEU . 5287 2 112 92 TYR . 5287 2 113 93 LEU . 5287 2 114 94 ILE . 5287 2 115 95 MET . 5287 2 116 96 GLN . 5287 2 117 97 LEU . 5287 2 118 98 VAL . 5287 2 119 99 SER . 5287 2 120 100 GLY . 5287 2 121 101 GLY . 5287 2 122 102 GLU . 5287 2 123 103 LEU . 5287 2 124 104 PHE . 5287 2 125 105 ASP . 5287 2 126 106 ARG . 5287 2 127 107 ILE . 5287 2 128 108 VAL . 5287 2 129 109 GLU . 5287 2 130 110 LYS . 5287 2 131 111 GLY . 5287 2 132 112 PHE . 5287 2 133 113 TYR . 5287 2 134 114 THR . 5287 2 135 115 GLU . 5287 2 136 116 ARG . 5287 2 137 117 ASP . 5287 2 138 118 ALA . 5287 2 139 119 SER . 5287 2 140 120 ARG . 5287 2 141 121 LEU . 5287 2 142 122 ILE . 5287 2 143 123 PHE . 5287 2 144 124 GLN . 5287 2 145 125 VAL . 5287 2 146 126 LEU . 5287 2 147 127 ASP . 5287 2 148 128 ALA . 5287 2 149 129 VAL . 5287 2 150 130 LYS . 5287 2 151 131 TYR . 5287 2 152 132 LEU . 5287 2 153 133 HIS . 5287 2 154 134 ASP . 5287 2 155 135 LEU . 5287 2 156 136 GLY . 5287 2 157 137 ILE . 5287 2 158 138 VAL . 5287 2 159 139 HIS . 5287 2 160 140 ARG . 5287 2 161 141 ASP . 5287 2 162 142 LEU . 5287 2 163 143 LYS . 5287 2 164 144 PRO . 5287 2 165 145 GLU . 5287 2 166 146 ASN . 5287 2 167 147 LEU . 5287 2 168 148 LEU . 5287 2 169 149 TYR . 5287 2 170 150 TYR . 5287 2 171 151 SER . 5287 2 172 152 LEU . 5287 2 173 153 ASP . 5287 2 174 154 GLU . 5287 2 175 155 ASP . 5287 2 176 156 SER . 5287 2 177 157 LYS . 5287 2 178 158 ILE . 5287 2 179 159 MET . 5287 2 180 160 ILE . 5287 2 181 161 SER . 5287 2 182 162 ASP . 5287 2 183 163 PHE . 5287 2 184 164 GLY . 5287 2 185 165 LEU . 5287 2 186 166 SER . 5287 2 187 167 LYS . 5287 2 188 168 MET . 5287 2 189 169 GLU . 5287 2 190 170 ASP . 5287 2 191 171 PRO . 5287 2 192 172 GLY . 5287 2 193 173 SER . 5287 2 194 174 VAL . 5287 2 195 175 LEU . 5287 2 196 176 SER . 5287 2 197 177 THR . 5287 2 198 178 ALA . 5287 2 199 179 CYS . 5287 2 200 180 GLY . 5287 2 201 181 THR . 5287 2 202 182 PRO . 5287 2 203 183 GLY . 5287 2 204 184 TYR . 5287 2 205 185 VAL . 5287 2 206 186 ALA . 5287 2 207 187 PRO . 5287 2 208 188 GLU . 5287 2 209 189 VAL . 5287 2 210 190 LEU . 5287 2 211 191 ALA . 5287 2 212 192 GLN . 5287 2 213 193 LYS . 5287 2 214 194 PRO . 5287 2 215 195 TYR . 5287 2 216 196 SER . 5287 2 217 197 LYS . 5287 2 218 198 ALA . 5287 2 219 199 VAL . 5287 2 220 200 ASP . 5287 2 221 201 CYS . 5287 2 222 202 TRP . 5287 2 223 203 SER . 5287 2 224 204 ILE . 5287 2 225 205 GLY . 5287 2 226 206 VAL . 5287 2 227 207 ILE . 5287 2 228 208 ALA . 5287 2 229 209 TYR . 5287 2 230 210 ILE . 5287 2 231 211 LEU . 5287 2 232 212 LEU . 5287 2 233 213 CYS . 5287 2 234 214 GLY . 5287 2 235 215 TYR . 5287 2 236 216 PRO . 5287 2 237 217 PRO . 5287 2 238 218 PHE . 5287 2 239 219 TYR . 5287 2 240 220 ASP . 5287 2 241 221 GLU . 5287 2 242 222 ASN . 5287 2 243 223 ASP . 5287 2 244 224 ALA . 5287 2 245 225 LYS . 5287 2 246 226 LEU . 5287 2 247 227 PHE . 5287 2 248 228 GLU . 5287 2 249 229 GLN . 5287 2 250 230 ILE . 5287 2 251 231 LEU . 5287 2 252 232 LYS . 5287 2 253 233 ALA . 5287 2 254 234 GLU . 5287 2 255 235 TYR . 5287 2 256 236 GLU . 5287 2 257 237 PHE . 5287 2 258 238 ASP . 5287 2 259 239 SER . 5287 2 260 240 PRO . 5287 2 261 241 TYR . 5287 2 262 242 TRP . 5287 2 263 243 ASP . 5287 2 264 244 ASP . 5287 2 265 245 ILE . 5287 2 266 246 SER . 5287 2 267 247 ASP . 5287 2 268 248 SER . 5287 2 269 249 ALA . 5287 2 270 250 LYS . 5287 2 271 251 ASP . 5287 2 272 252 PHE . 5287 2 273 253 ILE . 5287 2 274 254 ARG . 5287 2 275 255 HIS . 5287 2 276 256 LEU . 5287 2 277 257 MET . 5287 2 278 258 GLU . 5287 2 279 259 LYS . 5287 2 280 260 ASP . 5287 2 281 261 PRO . 5287 2 282 262 GLU . 5287 2 283 263 LYS . 5287 2 284 264 ARG . 5287 2 285 265 PHE . 5287 2 286 266 THR . 5287 2 287 267 CYS . 5287 2 288 268 GLU . 5287 2 289 269 GLN . 5287 2 290 270 ALA . 5287 2 291 271 LEU . 5287 2 292 272 GLN . 5287 2 293 273 HIS . 5287 2 294 274 PRO . 5287 2 295 275 TRP . 5287 2 296 276 ILE . 5287 2 297 277 ALA . 5287 2 298 278 GLY . 5287 2 299 279 ASP . 5287 2 300 280 THR . 5287 2 301 281 ALA . 5287 2 302 282 LEU . 5287 2 303 283 ASP . 5287 2 304 284 LYS . 5287 2 305 285 ASN . 5287 2 306 286 ILE . 5287 2 307 287 HIS . 5287 2 308 288 GLN . 5287 2 309 289 SER . 5287 2 310 290 VAL . 5287 2 311 291 SER . 5287 2 312 292 GLU . 5287 2 313 293 GLN . 5287 2 314 294 ILE . 5287 2 315 295 LYS . 5287 2 316 296 LYS . 5287 2 317 297 ASN . 5287 2 318 298 PHE . 5287 2 319 299 ALA . 5287 2 320 300 LYS . 5287 2 321 301 SER . 5287 2 322 302 LYS . 5287 2 323 303 TRP . 5287 2 324 304 LYS . 5287 2 325 305 GLN . 5287 2 326 306 ALA . 5287 2 327 307 PHE . 5287 2 328 308 ASN . 5287 2 329 309 ALA . 5287 2 330 310 THR . 5287 2 331 311 ALA . 5287 2 332 312 VAL . 5287 2 333 313 VAL . 5287 2 334 314 ARG . 5287 2 335 315 HIS . 5287 2 336 316 MET . 5287 2 337 317 ARG . 5287 2 338 318 LYS . 5287 2 339 319 LEU . 5287 2 340 320 GLN . 5287 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 . MET 1 1 5287 2 . GLY 2 2 5287 2 . SER 3 3 5287 2 . SER 4 4 5287 2 . HIS 5 5 5287 2 . HIS 6 6 5287 2 . HIS 7 7 5287 2 . HIS 8 8 5287 2 . HIS 9 9 5287 2 . HIS 10 10 5287 2 . SER 11 11 5287 2 . SER 12 12 5287 2 . GLY 13 13 5287 2 . LEU 14 14 5287 2 . VAL 15 15 5287 2 . PRO 16 16 5287 2 . ARG 17 17 5287 2 . GLY 18 18 5287 2 . SER 19 19 5287 2 . HIS 20 20 5287 2 . MET 21 21 5287 2 . PRO 22 22 5287 2 . GLY 23 23 5287 2 . ALA 24 24 5287 2 . VAL 25 25 5287 2 . GLU 26 26 5287 2 . GLY 27 27 5287 2 . PRO 28 28 5287 2 . ARG 29 29 5287 2 . TRP 30 30 5287 2 . LYS 31 31 5287 2 . GLN 32 32 5287 2 . ALA 33 33 5287 2 . GLU 34 34 5287 2 . ASP 35 35 5287 2 . ILE 36 36 5287 2 . ARG 37 37 5287 2 . ASP 38 38 5287 2 . ILE 39 39 5287 2 . TYR 40 40 5287 2 . ASP 41 41 5287 2 . PHE 42 42 5287 2 . ARG 43 43 5287 2 . ASP 44 44 5287 2 . VAL 45 45 5287 2 . LEU 46 46 5287 2 . GLY 47 47 5287 2 . THR 48 48 5287 2 . GLY 49 49 5287 2 . ALA 50 50 5287 2 . PHE 51 51 5287 2 . SER 52 52 5287 2 . GLU 53 53 5287 2 . VAL 54 54 5287 2 . ILE 55 55 5287 2 . LEU 56 56 5287 2 . ALA 57 57 5287 2 . GLU 58 58 5287 2 . ASP 59 59 5287 2 . LYS 60 60 5287 2 . ARG 61 61 5287 2 . THR 62 62 5287 2 . GLN 63 63 5287 2 . LYS 64 64 5287 2 . LEU 65 65 5287 2 . VAL 66 66 5287 2 . ALA 67 67 5287 2 . ILE 68 68 5287 2 . LYS 69 69 5287 2 . CYS 70 70 5287 2 . ILE 71 71 5287 2 . ALA 72 72 5287 2 . LYS 73 73 5287 2 . LYS 74 74 5287 2 . ALA 75 75 5287 2 . LEU 76 76 5287 2 . GLU 77 77 5287 2 . GLY 78 78 5287 2 . LYS 79 79 5287 2 . GLU 80 80 5287 2 . GLY 81 81 5287 2 . SER 82 82 5287 2 . MET 83 83 5287 2 . GLU 84 84 5287 2 . ASN 85 85 5287 2 . GLU 86 86 5287 2 . ILE 87 87 5287 2 . ALA 88 88 5287 2 . VAL 89 89 5287 2 . LEU 90 90 5287 2 . HIS 91 91 5287 2 . LYS 92 92 5287 2 . ILE 93 93 5287 2 . LYS 94 94 5287 2 . HIS 95 95 5287 2 . PRO 96 96 5287 2 . ASN 97 97 5287 2 . ILE 98 98 5287 2 . VAL 99 99 5287 2 . ALA 100 100 5287 2 . LEU 101 101 5287 2 . ASP 102 102 5287 2 . ASP 103 103 5287 2 . ILE 104 104 5287 2 . TYR 105 105 5287 2 . GLU 106 106 5287 2 . SER 107 107 5287 2 . GLY 108 108 5287 2 . GLY 109 109 5287 2 . HIS 110 110 5287 2 . LEU 111 111 5287 2 . TYR 112 112 5287 2 . LEU 113 113 5287 2 . ILE 114 114 5287 2 . MET 115 115 5287 2 . GLN 116 116 5287 2 . LEU 117 117 5287 2 . VAL 118 118 5287 2 . SER 119 119 5287 2 . GLY 120 120 5287 2 . GLY 121 121 5287 2 . GLU 122 122 5287 2 . LEU 123 123 5287 2 . PHE 124 124 5287 2 . ASP 125 125 5287 2 . ARG 126 126 5287 2 . ILE 127 127 5287 2 . VAL 128 128 5287 2 . GLU 129 129 5287 2 . LYS 130 130 5287 2 . GLY 131 131 5287 2 . PHE 132 132 5287 2 . TYR 133 133 5287 2 . THR 134 134 5287 2 . GLU 135 135 5287 2 . ARG 136 136 5287 2 . ASP 137 137 5287 2 . ALA 138 138 5287 2 . SER 139 139 5287 2 . ARG 140 140 5287 2 . LEU 141 141 5287 2 . ILE 142 142 5287 2 . PHE 143 143 5287 2 . GLN 144 144 5287 2 . VAL 145 145 5287 2 . LEU 146 146 5287 2 . ASP 147 147 5287 2 . ALA 148 148 5287 2 . VAL 149 149 5287 2 . LYS 150 150 5287 2 . TYR 151 151 5287 2 . LEU 152 152 5287 2 . HIS 153 153 5287 2 . ASP 154 154 5287 2 . LEU 155 155 5287 2 . GLY 156 156 5287 2 . ILE 157 157 5287 2 . VAL 158 158 5287 2 . HIS 159 159 5287 2 . ARG 160 160 5287 2 . ASP 161 161 5287 2 . LEU 162 162 5287 2 . LYS 163 163 5287 2 . PRO 164 164 5287 2 . GLU 165 165 5287 2 . ASN 166 166 5287 2 . LEU 167 167 5287 2 . LEU 168 168 5287 2 . TYR 169 169 5287 2 . TYR 170 170 5287 2 . SER 171 171 5287 2 . LEU 172 172 5287 2 . ASP 173 173 5287 2 . GLU 174 174 5287 2 . ASP 175 175 5287 2 . SER 176 176 5287 2 . LYS 177 177 5287 2 . ILE 178 178 5287 2 . MET 179 179 5287 2 . ILE 180 180 5287 2 . SER 181 181 5287 2 . ASP 182 182 5287 2 . PHE 183 183 5287 2 . GLY 184 184 5287 2 . LEU 185 185 5287 2 . SER 186 186 5287 2 . LYS 187 187 5287 2 . MET 188 188 5287 2 . GLU 189 189 5287 2 . ASP 190 190 5287 2 . PRO 191 191 5287 2 . GLY 192 192 5287 2 . SER 193 193 5287 2 . VAL 194 194 5287 2 . LEU 195 195 5287 2 . SER 196 196 5287 2 . THR 197 197 5287 2 . ALA 198 198 5287 2 . CYS 199 199 5287 2 . GLY 200 200 5287 2 . THR 201 201 5287 2 . PRO 202 202 5287 2 . GLY 203 203 5287 2 . TYR 204 204 5287 2 . VAL 205 205 5287 2 . ALA 206 206 5287 2 . PRO 207 207 5287 2 . GLU 208 208 5287 2 . VAL 209 209 5287 2 . LEU 210 210 5287 2 . ALA 211 211 5287 2 . GLN 212 212 5287 2 . LYS 213 213 5287 2 . PRO 214 214 5287 2 . TYR 215 215 5287 2 . SER 216 216 5287 2 . LYS 217 217 5287 2 . ALA 218 218 5287 2 . VAL 219 219 5287 2 . ASP 220 220 5287 2 . CYS 221 221 5287 2 . TRP 222 222 5287 2 . SER 223 223 5287 2 . ILE 224 224 5287 2 . GLY 225 225 5287 2 . VAL 226 226 5287 2 . ILE 227 227 5287 2 . ALA 228 228 5287 2 . TYR 229 229 5287 2 . ILE 230 230 5287 2 . LEU 231 231 5287 2 . LEU 232 232 5287 2 . CYS 233 233 5287 2 . GLY 234 234 5287 2 . TYR 235 235 5287 2 . PRO 236 236 5287 2 . PRO 237 237 5287 2 . PHE 238 238 5287 2 . TYR 239 239 5287 2 . ASP 240 240 5287 2 . GLU 241 241 5287 2 . ASN 242 242 5287 2 . ASP 243 243 5287 2 . ALA 244 244 5287 2 . LYS 245 245 5287 2 . LEU 246 246 5287 2 . PHE 247 247 5287 2 . GLU 248 248 5287 2 . GLN 249 249 5287 2 . ILE 250 250 5287 2 . LEU 251 251 5287 2 . LYS 252 252 5287 2 . ALA 253 253 5287 2 . GLU 254 254 5287 2 . TYR 255 255 5287 2 . GLU 256 256 5287 2 . PHE 257 257 5287 2 . ASP 258 258 5287 2 . SER 259 259 5287 2 . PRO 260 260 5287 2 . TYR 261 261 5287 2 . TRP 262 262 5287 2 . ASP 263 263 5287 2 . ASP 264 264 5287 2 . ILE 265 265 5287 2 . SER 266 266 5287 2 . ASP 267 267 5287 2 . SER 268 268 5287 2 . ALA 269 269 5287 2 . LYS 270 270 5287 2 . ASP 271 271 5287 2 . PHE 272 272 5287 2 . ILE 273 273 5287 2 . ARG 274 274 5287 2 . HIS 275 275 5287 2 . LEU 276 276 5287 2 . MET 277 277 5287 2 . GLU 278 278 5287 2 . LYS 279 279 5287 2 . ASP 280 280 5287 2 . PRO 281 281 5287 2 . GLU 282 282 5287 2 . LYS 283 283 5287 2 . ARG 284 284 5287 2 . PHE 285 285 5287 2 . THR 286 286 5287 2 . CYS 287 287 5287 2 . GLU 288 288 5287 2 . GLN 289 289 5287 2 . ALA 290 290 5287 2 . LEU 291 291 5287 2 . GLN 292 292 5287 2 . HIS 293 293 5287 2 . PRO 294 294 5287 2 . TRP 295 295 5287 2 . ILE 296 296 5287 2 . ALA 297 297 5287 2 . GLY 298 298 5287 2 . ASP 299 299 5287 2 . THR 300 300 5287 2 . ALA 301 301 5287 2 . LEU 302 302 5287 2 . ASP 303 303 5287 2 . LYS 304 304 5287 2 . ASN 305 305 5287 2 . ILE 306 306 5287 2 . HIS 307 307 5287 2 . GLN 308 308 5287 2 . SER 309 309 5287 2 . VAL 310 310 5287 2 . SER 311 311 5287 2 . GLU 312 312 5287 2 . GLN 313 313 5287 2 . ILE 314 314 5287 2 . LYS 315 315 5287 2 . LYS 316 316 5287 2 . ASN 317 317 5287 2 . PHE 318 318 5287 2 . ALA 319 319 5287 2 . LYS 320 320 5287 2 . SER 321 321 5287 2 . LYS 322 322 5287 2 . TRP 323 323 5287 2 . LYS 324 324 5287 2 . GLN 325 325 5287 2 . ALA 326 326 5287 2 . PHE 327 327 5287 2 . ASN 328 328 5287 2 . ALA 329 329 5287 2 . THR 330 330 5287 2 . ALA 331 331 5287 2 . VAL 332 332 5287 2 . VAL 333 333 5287 2 . ARG 334 334 5287 2 . HIS 335 335 5287 2 . MET 336 336 5287 2 . ARG 337 337 5287 2 . LYS 338 338 5287 2 . LEU 339 339 5287 2 . GLN 340 340 5287 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 5287 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM . 9031 . . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 5287 1 2 2 $CaMKI . 10116 . . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5287 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 5287 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5287 1 2 2 $CaMKI . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5287 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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-99% 2H; U-99% 15N]' . . 1 $CaM . . 1.0 . . mM . . . . 5287 1 2 'Ca2+/CaM-dependent (rat) protein kinase I' . . . 2 $CaMKI . . 1.2 . . mM . . . . 5287 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5287 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5287 1 temperature 303 0.5 K 5287 1 'ionic strength' 0.16 0.01 M 5287 1 stop_ save_ ############################ # Computer software used # ############################ save_felix _Software.Sf_category software _Software.Sf_framecode felix _Software.Entry_ID 5287 _Software.ID 1 _Software.Name felix _Software.Version 97.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5287 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 750 . . . 5287 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 5287 _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 1H-15N-TROSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5287 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 5287 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-TROSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5287 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5287 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5287 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5287 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5287 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5287 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.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 8.382 0.036 . 1 . . . . . . . . 5287 1 2 . 1 1 3 3 GLN N N 15 119.708 0.202 . 1 . . . . . . . . 5287 1 3 . 1 1 4 4 LEU H H 1 8.332 0.038 . 1 . . . . . . . . 5287 1 4 . 1 1 4 4 LEU N N 15 122.659 0.240 . 1 . . . . . . . . 5287 1 5 . 1 1 5 5 THR H H 1 8.785 0.046 . 1 . . . . . . . . 5287 1 6 . 1 1 5 5 THR N N 15 112.906 0.187 . 1 . . . . . . . . 5287 1 7 . 1 1 6 6 GLU H H 1 9.068 0.039 . 1 . . . . . . . . 5287 1 8 . 1 1 6 6 GLU N N 15 120.383 0.207 . 1 . . . . . . . . 5287 1 9 . 1 1 7 7 GLU H H 1 8.736 0.034 . 1 . . . . . . . . 5287 1 10 . 1 1 7 7 GLU N N 15 119.334 0.221 . 1 . . . . . . . . 5287 1 11 . 1 1 8 8 GLN H H 1 7.795 0.038 . 1 . . . . . . . . 5287 1 12 . 1 1 8 8 GLN N N 15 121.400 0.207 . 1 . . . . . . . . 5287 1 13 . 1 1 9 9 ILE H H 1 8.360 0.042 . 1 . . . . . . . . 5287 1 14 . 1 1 9 9 ILE N N 15 119.281 0.292 . 1 . . . . . . . . 5287 1 15 . 1 1 10 10 ALA H H 1 7.971 0.050 . 1 . . . . . . . . 5287 1 16 . 1 1 10 10 ALA N N 15 120.697 0.234 . 1 . . . . . . . . 5287 1 17 . 1 1 11 11 GLU H H 1 7.869 0.044 . 1 . . . . . . . . 5287 1 18 . 1 1 11 11 GLU N N 15 120.273 0.233 . 1 . . . . . . . . 5287 1 19 . 1 1 12 12 PHE H H 1 9.095 0.046 . 1 . . . . . . . . 5287 1 20 . 1 1 12 12 PHE N N 15 121.954 0.187 . 1 . . . . . . . . 5287 1 21 . 1 1 13 13 LYS H H 1 9.325 0.044 . 1 . . . . . . . . 5287 1 22 . 1 1 13 13 LYS N N 15 125.030 0.209 . 1 . . . . . . . . 5287 1 23 . 1 1 14 14 GLU H H 1 7.855 0.045 . 1 . . . . . . . . 5287 1 24 . 1 1 14 14 GLU N N 15 119.313 0.261 . 1 . . . . . . . . 5287 1 25 . 1 1 15 15 ALA H H 1 8.099 0.041 . 1 . . . . . . . . 5287 1 26 . 1 1 15 15 ALA N N 15 122.676 0.242 . 1 . . . . . . . . 5287 1 27 . 1 1 16 16 PHE H H 1 8.822 0.048 . 1 . . . . . . . . 5287 1 28 . 1 1 16 16 PHE N N 15 119.494 0.259 . 1 . . . . . . . . 5287 1 29 . 1 1 17 17 SER H H 1 8.212 0.038 . 1 . . . . . . . . 5287 1 30 . 1 1 17 17 SER N N 15 113.129 0.195 . 1 . . . . . . . . 5287 1 31 . 1 1 18 18 LEU H H 1 7.304 0.036 . 1 . . . . . . . . 5287 1 32 . 1 1 18 18 LEU N N 15 119.637 0.232 . 1 . . . . . . . . 5287 1 33 . 1 1 19 19 PHE H H 1 7.187 0.057 . 1 . . . . . . . . 5287 1 34 . 1 1 19 19 PHE N N 15 114.061 0.216 . 1 . . . . . . . . 5287 1 35 . 1 1 20 20 ASP H H 1 7.791 0.054 . 1 . . . . . . . . 5287 1 36 . 1 1 20 20 ASP N N 15 117.369 0.249 . 1 . . . . . . . . 5287 1 37 . 1 1 21 21 LYS H H 1 7.681 0.046 . 1 . . . . . . . . 5287 1 38 . 1 1 21 21 LYS N N 15 123.900 0.211 . 1 . . . . . . . . 5287 1 39 . 1 1 22 22 ASP H H 1 8.087 0.039 . 1 . . . . . . . . 5287 1 40 . 1 1 22 22 ASP N N 15 114.039 0.202 . 1 . . . . . . . . 5287 1 41 . 1 1 23 23 GLY H H 1 7.743 0.044 . 1 . . . . . . . . 5287 1 42 . 1 1 23 23 GLY N N 15 109.473 0.218 . 1 . . . . . . . . 5287 1 43 . 1 1 24 24 ASP H H 1 8.532 0.047 . 1 . . . . . . . . 5287 1 44 . 1 1 24 24 ASP N N 15 121.089 0.236 . 1 . . . . . . . . 5287 1 45 . 1 1 25 25 GLY H H 1 10.624 0.044 . 1 . . . . . . . . 5287 1 46 . 1 1 25 25 GLY N N 15 112.903 0.234 . 1 . . . . . . . . 5287 1 47 . 1 1 26 26 THR H H 1 8.247 0.041 . 1 . . . . . . . . 5287 1 48 . 1 1 26 26 THR N N 15 112.208 0.190 . 1 . . . . . . . . 5287 1 49 . 1 1 27 27 ILE H H 1 9.938 0.035 . 1 . . . . . . . . 5287 1 50 . 1 1 27 27 ILE N N 15 126.539 0.170 . 1 . . . . . . . . 5287 1 51 . 1 1 28 28 THR H H 1 8.592 0.060 . 1 . . . . . . . . 5287 1 52 . 1 1 28 28 THR N N 15 116.711 0.225 . 1 . . . . . . . . 5287 1 53 . 1 1 29 29 THR H H 1 9.318 0.038 . 1 . . . . . . . . 5287 1 54 . 1 1 29 29 THR N N 15 112.319 0.189 . 1 . . . . . . . . 5287 1 55 . 1 1 30 30 LYS H H 1 7.634 0.044 . 1 . . . . . . . . 5287 1 56 . 1 1 30 30 LYS N N 15 121.217 0.200 . 1 . . . . . . . . 5287 1 57 . 1 1 31 31 GLU H H 1 7.823 0.042 . 1 . . . . . . . . 5287 1 58 . 1 1 31 31 GLU N N 15 122.134 0.217 . 1 . . . . . . . . 5287 1 59 . 1 1 32 32 LEU H H 1 8.797 0.046 . 1 . . . . . . . . 5287 1 60 . 1 1 32 32 LEU N N 15 120.382 0.232 . 1 . . . . . . . . 5287 1 61 . 1 1 33 33 GLY H H 1 8.905 0.039 . 1 . . . . . . . . 5287 1 62 . 1 1 33 33 GLY N N 15 105.751 0.195 . 1 . . . . . . . . 5287 1 63 . 1 1 34 34 THR H H 1 8.101 0.045 . 1 . . . . . . . . 5287 1 64 . 1 1 34 34 THR N N 15 118.181 0.256 . 1 . . . . . . . . 5287 1 65 . 1 1 35 35 VAL H H 1 7.509 0.061 . 1 . . . . . . . . 5287 1 66 . 1 1 35 35 VAL N N 15 121.947 0.248 . 1 . . . . . . . . 5287 1 67 . 1 1 36 36 MET H H 1 8.475 0.046 . 1 . . . . . . . . 5287 1 68 . 1 1 36 36 MET N N 15 117.388 0.300 . 1 . . . . . . . . 5287 1 69 . 1 1 37 37 ARG H H 1 8.649 0.035 . 1 . . . . . . . . 5287 1 70 . 1 1 37 37 ARG N N 15 118.660 0.232 . 1 . . . . . . . . 5287 1 71 . 1 1 38 38 SER H H 1 8.124 0.056 . 1 . . . . . . . . 5287 1 72 . 1 1 38 38 SER N N 15 119.349 0.285 . 1 . . . . . . . . 5287 1 73 . 1 1 39 39 LEU H H 1 7.380 0.034 . 1 . . . . . . . . 5287 1 74 . 1 1 39 39 LEU N N 15 119.179 0.200 . 1 . . . . . . . . 5287 1 75 . 1 1 40 40 GLY H H 1 7.818 0.044 . 1 . . . . . . . . 5287 1 76 . 1 1 40 40 GLY N N 15 106.783 0.270 . 1 . . . . . . . . 5287 1 77 . 1 1 41 41 GLN H H 1 8.082 0.044 . 1 . . . . . . . . 5287 1 78 . 1 1 41 41 GLN N N 15 118.570 0.276 . 1 . . . . . . . . 5287 1 79 . 1 1 42 42 ASN H H 1 8.625 0.043 . 1 . . . . . . . . 5287 1 80 . 1 1 42 42 ASN N N 15 116.565 0.287 . 1 . . . . . . . . 5287 1 81 . 1 1 44 44 THR H H 1 8.858 0.042 . 1 . . . . . . . . 5287 1 82 . 1 1 44 44 THR N N 15 112.869 0.200 . 1 . . . . . . . . 5287 1 83 . 1 1 45 45 GLU H H 1 8.856 0.037 . 1 . . . . . . . . 5287 1 84 . 1 1 45 45 GLU N N 15 120.681 0.213 . 1 . . . . . . . . 5287 1 85 . 1 1 46 46 ALA H H 1 8.323 0.054 . 1 . . . . . . . . 5287 1 86 . 1 1 46 46 ALA N N 15 120.819 0.297 . 1 . . . . . . . . 5287 1 87 . 1 1 47 47 GLU H H 1 7.752 0.045 . 1 . . . . . . . . 5287 1 88 . 1 1 47 47 GLU N N 15 118.685 0.254 . 1 . . . . . . . . 5287 1 89 . 1 1 48 48 LEU H H 1 8.283 0.037 . 1 . . . . . . . . 5287 1 90 . 1 1 48 48 LEU N N 15 119.762 0.285 . 1 . . . . . . . . 5287 1 91 . 1 1 49 49 GLN H H 1 8.166 0.047 . 1 . . . . . . . . 5287 1 92 . 1 1 49 49 GLN N N 15 117.851 0.198 . 1 . . . . . . . . 5287 1 93 . 1 1 50 50 ASP H H 1 8.101 0.036 . 1 . . . . . . . . 5287 1 94 . 1 1 50 50 ASP N N 15 120.383 0.233 . 1 . . . . . . . . 5287 1 95 . 1 1 51 51 MET H H 1 8.216 0.029 . 1 . . . . . . . . 5287 1 96 . 1 1 51 51 MET N N 15 119.044 0.200 . 1 . . . . . . . . 5287 1 97 . 1 1 52 52 ILE H H 1 7.896 0.046 . 1 . . . . . . . . 5287 1 98 . 1 1 52 52 ILE N N 15 117.489 0.267 . 1 . . . . . . . . 5287 1 99 . 1 1 53 53 ASN H H 1 8.554 0.048 . 1 . . . . . . . . 5287 1 100 . 1 1 53 53 ASN N N 15 117.902 0.220 . 1 . . . . . . . . 5287 1 101 . 1 1 54 54 GLU H H 1 7.440 0.042 . 1 . . . . . . . . 5287 1 102 . 1 1 54 54 GLU N N 15 115.924 0.203 . 1 . . . . . . . . 5287 1 103 . 1 1 55 55 VAL H H 1 7.257 0.054 . 1 . . . . . . . . 5287 1 104 . 1 1 55 55 VAL N N 15 112.409 0.207 . 1 . . . . . . . . 5287 1 105 . 1 1 56 56 ASP H H 1 7.813 0.035 . 1 . . . . . . . . 5287 1 106 . 1 1 56 56 ASP N N 15 121.374 0.220 . 1 . . . . . . . . 5287 1 107 . 1 1 57 57 ALA H H 1 8.163 0.046 . 1 . . . . . . . . 5287 1 108 . 1 1 57 57 ALA N N 15 131.010 0.237 . 1 . . . . . . . . 5287 1 109 . 1 1 58 58 ASP H H 1 8.319 0.029 . 1 . . . . . . . . 5287 1 110 . 1 1 58 58 ASP N N 15 114.226 0.255 . 1 . . . . . . . . 5287 1 111 . 1 1 59 59 GLY H H 1 7.658 0.035 . 1 . . . . . . . . 5287 1 112 . 1 1 59 59 GLY N N 15 108.797 0.237 . 1 . . . . . . . . 5287 1 113 . 1 1 60 60 ASN H H 1 8.253 0.038 . 1 . . . . . . . . 5287 1 114 . 1 1 60 60 ASN N N 15 118.987 0.236 . 1 . . . . . . . . 5287 1 115 . 1 1 61 61 GLY H H 1 10.576 0.038 . 1 . . . . . . . . 5287 1 116 . 1 1 61 61 GLY N N 15 113.218 0.197 . 1 . . . . . . . . 5287 1 117 . 1 1 62 62 THR H H 1 7.707 0.035 . 1 . . . . . . . . 5287 1 118 . 1 1 62 62 THR N N 15 108.662 0.296 . 1 . . . . . . . . 5287 1 119 . 1 1 63 63 ILE H H 1 8.799 0.035 . 1 . . . . . . . . 5287 1 120 . 1 1 63 63 ILE N N 15 123.109 0.217 . 1 . . . . . . . . 5287 1 121 . 1 1 64 64 ASP H H 1 9.191 0.041 . 1 . . . . . . . . 5287 1 122 . 1 1 64 64 ASP N N 15 128.789 0.207 . 1 . . . . . . . . 5287 1 123 . 1 1 65 65 PHE H H 1 9.090 0.036 . 1 . . . . . . . . 5287 1 124 . 1 1 65 65 PHE N N 15 118.875 0.201 . 1 . . . . . . . . 5287 1 125 . 1 1 67 67 GLU H H 1 8.410 0.043 . 1 . . . . . . . . 5287 1 126 . 1 1 67 67 GLU N N 15 117.931 0.244 . 1 . . . . . . . . 5287 1 127 . 1 1 68 68 PHE H H 1 8.869 0.044 . 1 . . . . . . . . 5287 1 128 . 1 1 68 68 PHE N N 15 124.427 0.219 . 1 . . . . . . . . 5287 1 129 . 1 1 69 69 LEU H H 1 8.981 0.036 . 1 . . . . . . . . 5287 1 130 . 1 1 69 69 LEU N N 15 119.743 0.192 . 1 . . . . . . . . 5287 1 131 . 1 1 70 70 THR H H 1 8.005 0.052 . 1 . . . . . . . . 5287 1 132 . 1 1 70 70 THR N N 15 116.703 0.294 . 1 . . . . . . . . 5287 1 133 . 1 1 71 71 MET H H 1 7.597 0.043 . 1 . . . . . . . . 5287 1 134 . 1 1 71 71 MET N N 15 121.929 0.212 . 1 . . . . . . . . 5287 1 135 . 1 1 72 72 MET H H 1 8.097 0.053 . 1 . . . . . . . . 5287 1 136 . 1 1 72 72 MET N N 15 118.954 0.299 . 1 . . . . . . . . 5287 1 137 . 1 1 73 73 ALA H H 1 8.493 0.054 . 1 . . . . . . . . 5287 1 138 . 1 1 73 73 ALA N N 15 122.350 0.309 . 1 . . . . . . . . 5287 1 139 . 1 1 74 74 ARG H H 1 7.860 0.059 . 1 . . . . . . . . 5287 1 140 . 1 1 74 74 ARG N N 15 118.453 0.278 . 1 . . . . . . . . 5287 1 141 . 1 1 75 75 LYS H H 1 8.283 0.017 . 1 . . . . . . . . 5287 1 142 . 1 1 75 75 LYS N N 15 120.684 0.256 . 1 . . . . . . . . 5287 1 143 . 1 1 76 76 MET H H 1 7.785 0.041 . 1 . . . . . . . . 5287 1 144 . 1 1 76 76 MET N N 15 116.840 0.242 . 1 . . . . . . . . 5287 1 145 . 1 1 77 77 LYS H H 1 7.464 0.035 . 1 . . . . . . . . 5287 1 146 . 1 1 77 77 LYS N N 15 117.485 0.226 . 1 . . . . . . . . 5287 1 147 . 1 1 78 78 ASP H H 1 7.855 0.043 . 1 . . . . . . . . 5287 1 148 . 1 1 78 78 ASP N N 15 118.062 0.259 . 1 . . . . . . . . 5287 1 149 . 1 1 79 79 THR H H 1 7.921 0.038 . 1 . . . . . . . . 5287 1 150 . 1 1 79 79 THR N N 15 114.934 0.220 . 1 . . . . . . . . 5287 1 151 . 1 1 80 80 ASP H H 1 8.672 0.040 . 1 . . . . . . . . 5287 1 152 . 1 1 80 80 ASP N N 15 125.592 0.221 . 1 . . . . . . . . 5287 1 153 . 1 1 81 81 SER H H 1 8.663 0.040 . 1 . . . . . . . . 5287 1 154 . 1 1 81 81 SER N N 15 121.128 0.234 . 1 . . . . . . . . 5287 1 155 . 1 1 82 82 GLU H H 1 8.471 0.044 . 1 . . . . . . . . 5287 1 156 . 1 1 82 82 GLU N N 15 121.898 0.213 . 1 . . . . . . . . 5287 1 157 . 1 1 83 83 GLU H H 1 8.067 0.041 . 1 . . . . . . . . 5287 1 158 . 1 1 83 83 GLU N N 15 119.710 0.245 . 1 . . . . . . . . 5287 1 159 . 1 1 84 84 GLU H H 1 7.990 0.049 . 1 . . . . . . . . 5287 1 160 . 1 1 84 84 GLU N N 15 118.197 0.272 . 1 . . . . . . . . 5287 1 161 . 1 1 85 85 ILE H H 1 8.380 0.038 . 1 . . . . . . . . 5287 1 162 . 1 1 85 85 ILE N N 15 120.685 0.387 . 1 . . . . . . . . 5287 1 163 . 1 1 86 86 ARG H H 1 8.449 0.044 . 1 . . . . . . . . 5287 1 164 . 1 1 86 86 ARG N N 15 121.842 0.217 . 1 . . . . . . . . 5287 1 165 . 1 1 87 87 GLU H H 1 8.448 0.045 . 1 . . . . . . . . 5287 1 166 . 1 1 87 87 GLU N N 15 117.462 0.256 . 1 . . . . . . . . 5287 1 167 . 1 1 88 88 ALA H H 1 8.364 0.036 . 1 . . . . . . . . 5287 1 168 . 1 1 88 88 ALA N N 15 122.275 0.203 . 1 . . . . . . . . 5287 1 169 . 1 1 89 89 PHE H H 1 8.676 0.026 . 1 . . . . . . . . 5287 1 170 . 1 1 89 89 PHE N N 15 118.599 0.229 . 1 . . . . . . . . 5287 1 171 . 1 1 90 90 ARG H H 1 7.643 0.044 . 1 . . . . . . . . 5287 1 172 . 1 1 90 90 ARG N N 15 115.076 0.198 . 1 . . . . . . . . 5287 1 173 . 1 1 91 91 VAL H H 1 7.519 0.042 . 1 . . . . . . . . 5287 1 174 . 1 1 91 91 VAL N N 15 118.149 0.213 . 1 . . . . . . . . 5287 1 175 . 1 1 92 92 PHE H H 1 7.321 0.044 . 1 . . . . . . . . 5287 1 176 . 1 1 92 92 PHE N N 15 115.755 0.248 . 1 . . . . . . . . 5287 1 177 . 1 1 93 93 ASP H H 1 8.066 0.054 . 1 . . . . . . . . 5287 1 178 . 1 1 93 93 ASP N N 15 116.613 0.226 . 1 . . . . . . . . 5287 1 179 . 1 1 94 94 LYS H H 1 7.608 0.045 . 1 . . . . . . . . 5287 1 180 . 1 1 94 94 LYS N N 15 125.599 0.244 . 1 . . . . . . . . 5287 1 181 . 1 1 95 95 ASP H H 1 8.346 0.024 . 1 . . . . . . . . 5287 1 182 . 1 1 95 95 ASP N N 15 114.187 0.237 . 1 . . . . . . . . 5287 1 183 . 1 1 96 96 GLY H H 1 7.885 0.050 . 1 . . . . . . . . 5287 1 184 . 1 1 96 96 GLY N N 15 109.451 0.202 . 1 . . . . . . . . 5287 1 185 . 1 1 97 97 ASN H H 1 8.461 0.040 . 1 . . . . . . . . 5287 1 186 . 1 1 97 97 ASN N N 15 119.946 0.322 . 1 . . . . . . . . 5287 1 187 . 1 1 98 98 GLY H H 1 10.711 0.044 . 1 . . . . . . . . 5287 1 188 . 1 1 98 98 GLY N N 15 112.861 0.200 . 1 . . . . . . . . 5287 1 189 . 1 1 99 99 TYR H H 1 7.752 0.049 . 1 . . . . . . . . 5287 1 190 . 1 1 99 99 TYR N N 15 116.295 0.215 . 1 . . . . . . . . 5287 1 191 . 1 1 100 100 ILE H H 1 10.299 0.046 . 1 . . . . . . . . 5287 1 192 . 1 1 100 100 ILE N N 15 127.374 0.195 . 1 . . . . . . . . 5287 1 193 . 1 1 101 101 SER H H 1 9.077 0.038 . 1 . . . . . . . . 5287 1 194 . 1 1 101 101 SER N N 15 123.910 0.186 . 1 . . . . . . . . 5287 1 195 . 1 1 102 102 ALA H H 1 9.414 0.038 . 1 . . . . . . . . 5287 1 196 . 1 1 102 102 ALA N N 15 123.052 0.208 . 1 . . . . . . . . 5287 1 197 . 1 1 103 103 ALA H H 1 8.323 0.045 . 1 . . . . . . . . 5287 1 198 . 1 1 103 103 ALA N N 15 118.501 0.263 . 1 . . . . . . . . 5287 1 199 . 1 1 104 104 GLU H H 1 8.029 0.051 . 1 . . . . . . . . 5287 1 200 . 1 1 104 104 GLU N N 15 120.560 0.279 . 1 . . . . . . . . 5287 1 201 . 1 1 105 105 LEU H H 1 8.601 0.039 . 1 . . . . . . . . 5287 1 202 . 1 1 105 105 LEU N N 15 121.516 0.217 . 1 . . . . . . . . 5287 1 203 . 1 1 106 106 ARG H H 1 8.855 0.041 . 1 . . . . . . . . 5287 1 204 . 1 1 106 106 ARG N N 15 118.439 0.193 . 1 . . . . . . . . 5287 1 205 . 1 1 107 107 HIS H H 1 8.154 0.025 . 1 . . . . . . . . 5287 1 206 . 1 1 107 107 HIS N N 15 120.416 0.207 . 1 . . . . . . . . 5287 1 207 . 1 1 108 108 VAL H H 1 8.025 0.051 . 1 . . . . . . . . 5287 1 208 . 1 1 108 108 VAL N N 15 119.418 0.224 . 1 . . . . . . . . 5287 1 209 . 1 1 109 109 MET H H 1 8.295 0.039 . 1 . . . . . . . . 5287 1 210 . 1 1 109 109 MET N N 15 115.435 0.254 . 1 . . . . . . . . 5287 1 211 . 1 1 110 110 THR H H 1 8.497 0.040 . 1 . . . . . . . . 5287 1 212 . 1 1 110 110 THR N N 15 115.870 0.197 . 1 . . . . . . . . 5287 1 213 . 1 1 111 111 ASN H H 1 8.172 0.038 . 1 . . . . . . . . 5287 1 214 . 1 1 111 111 ASN N N 15 123.715 0.238 . 1 . . . . . . . . 5287 1 215 . 1 1 112 112 LEU H H 1 7.886 0.047 . 1 . . . . . . . . 5287 1 216 . 1 1 112 112 LEU N N 15 118.268 0.396 . 1 . . . . . . . . 5287 1 217 . 1 1 113 113 GLY H H 1 7.808 0.041 . 1 . . . . . . . . 5287 1 218 . 1 1 113 113 GLY N N 15 106.253 0.234 . 1 . . . . . . . . 5287 1 219 . 1 1 114 114 GLU H H 1 8.000 0.036 . 1 . . . . . . . . 5287 1 220 . 1 1 114 114 GLU N N 15 120.957 0.282 . 1 . . . . . . . . 5287 1 221 . 1 1 115 115 LYS H H 1 8.558 0.039 . 1 . . . . . . . . 5287 1 222 . 1 1 115 115 LYS N N 15 124.843 0.198 . 1 . . . . . . . . 5287 1 223 . 1 1 116 116 LEU H H 1 8.098 0.037 . 1 . . . . . . . . 5287 1 224 . 1 1 116 116 LEU N N 15 124.867 0.203 . 1 . . . . . . . . 5287 1 225 . 1 1 117 117 THR H H 1 9.413 0.037 . 1 . . . . . . . . 5287 1 226 . 1 1 117 117 THR N N 15 114.997 0.178 . 1 . . . . . . . . 5287 1 227 . 1 1 118 118 ASP H H 1 8.960 0.039 . 1 . . . . . . . . 5287 1 228 . 1 1 118 118 ASP N N 15 120.966 0.193 . 1 . . . . . . . . 5287 1 229 . 1 1 119 119 GLU H H 1 8.625 0.041 . 1 . . . . . . . . 5287 1 230 . 1 1 119 119 GLU N N 15 119.308 0.202 . 1 . . . . . . . . 5287 1 231 . 1 1 120 120 GLU H H 1 7.759 0.043 . 1 . . . . . . . . 5287 1 232 . 1 1 120 120 GLU N N 15 121.037 0.199 . 1 . . . . . . . . 5287 1 233 . 1 1 121 121 VAL H H 1 8.092 0.031 . 1 . . . . . . . . 5287 1 234 . 1 1 121 121 VAL N N 15 121.962 0.257 . 1 . . . . . . . . 5287 1 235 . 1 1 122 122 ASP H H 1 8.185 0.024 . 1 . . . . . . . . 5287 1 236 . 1 1 122 122 ASP N N 15 120.383 0.222 . 1 . . . . . . . . 5287 1 237 . 1 1 123 123 GLU H H 1 8.336 0.031 . 1 . . . . . . . . 5287 1 238 . 1 1 123 123 GLU N N 15 119.710 0.282 . 1 . . . . . . . . 5287 1 239 . 1 1 124 124 MET H H 1 7.984 0.047 . 1 . . . . . . . . 5287 1 240 . 1 1 124 124 MET N N 15 119.060 0.298 . 1 . . . . . . . . 5287 1 241 . 1 1 125 125 ILE H H 1 8.313 0.059 . 1 . . . . . . . . 5287 1 242 . 1 1 125 125 ILE N N 15 120.462 0.154 . 1 . . . . . . . . 5287 1 243 . 1 1 126 126 ARG H H 1 8.804 0.047 . 1 . . . . . . . . 5287 1 244 . 1 1 126 126 ARG N N 15 118.528 0.222 . 1 . . . . . . . . 5287 1 245 . 1 1 127 127 GLU H H 1 8.018 0.049 . 1 . . . . . . . . 5287 1 246 . 1 1 127 127 GLU N N 15 116.354 0.270 . 1 . . . . . . . . 5287 1 247 . 1 1 128 128 ALA H H 1 7.146 0.047 . 1 . . . . . . . . 5287 1 248 . 1 1 128 128 ALA N N 15 116.690 0.227 . 1 . . . . . . . . 5287 1 249 . 1 1 129 129 ASP H H 1 8.124 0.053 . 1 . . . . . . . . 5287 1 250 . 1 1 129 129 ASP N N 15 118.171 0.276 . 1 . . . . . . . . 5287 1 251 . 1 1 130 130 ILE H H 1 8.284 0.057 . 1 . . . . . . . . 5287 1 252 . 1 1 130 130 ILE N N 15 127.879 0.176 . 1 . . . . . . . . 5287 1 253 . 1 1 131 131 ASP H H 1 8.450 0.050 . 1 . . . . . . . . 5287 1 254 . 1 1 131 131 ASP N N 15 116.766 0.275 . 1 . . . . . . . . 5287 1 255 . 1 1 132 132 GLY H H 1 7.714 0.034 . 1 . . . . . . . . 5287 1 256 . 1 1 132 132 GLY N N 15 108.763 0.281 . 1 . . . . . . . . 5287 1 257 . 1 1 133 133 ASP H H 1 8.445 0.059 . 1 . . . . . . . . 5287 1 258 . 1 1 133 133 ASP N N 15 121.066 0.292 . 1 . . . . . . . . 5287 1 259 . 1 1 134 134 GLY H H 1 10.313 0.040 . 1 . . . . . . . . 5287 1 260 . 1 1 134 134 GLY N N 15 112.720 0.224 . 1 . . . . . . . . 5287 1 261 . 1 1 135 135 GLN H H 1 8.057 0.041 . 1 . . . . . . . . 5287 1 262 . 1 1 135 135 GLN N N 15 115.223 0.252 . 1 . . . . . . . . 5287 1 263 . 1 1 136 136 VAL H H 1 9.231 0.039 . 1 . . . . . . . . 5287 1 264 . 1 1 136 136 VAL N N 15 125.546 0.238 . 1 . . . . . . . . 5287 1 265 . 1 1 137 137 ASN H H 1 9.685 0.040 . 1 . . . . . . . . 5287 1 266 . 1 1 137 137 ASN N N 15 129.190 0.177 . 1 . . . . . . . . 5287 1 267 . 1 1 138 138 TYR H H 1 8.360 0.043 . 1 . . . . . . . . 5287 1 268 . 1 1 138 138 TYR N N 15 118.698 0.275 . 1 . . . . . . . . 5287 1 269 . 1 1 139 139 GLU H H 1 8.109 0.045 . 1 . . . . . . . . 5287 1 270 . 1 1 139 139 GLU N N 15 118.530 0.243 . 1 . . . . . . . . 5287 1 271 . 1 1 140 140 GLU H H 1 8.776 0.049 . 1 . . . . . . . . 5287 1 272 . 1 1 140 140 GLU N N 15 120.053 0.238 . 1 . . . . . . . . 5287 1 273 . 1 1 141 141 PHE H H 1 8.560 0.053 . 1 . . . . . . . . 5287 1 274 . 1 1 141 141 PHE N N 15 124.261 0.218 . 1 . . . . . . . . 5287 1 275 . 1 1 142 142 VAL H H 1 8.724 0.032 . 1 . . . . . . . . 5287 1 276 . 1 1 142 142 VAL N N 15 119.226 0.251 . 1 . . . . . . . . 5287 1 277 . 1 1 143 143 GLN H H 1 7.871 0.042 . 1 . . . . . . . . 5287 1 278 . 1 1 143 143 GLN N N 15 119.353 0.251 . 1 . . . . . . . . 5287 1 279 . 1 1 144 144 MET H H 1 7.472 0.033 . 1 . . . . . . . . 5287 1 280 . 1 1 144 144 MET N N 15 117.413 0.233 . 1 . . . . . . . . 5287 1 281 . 1 1 145 145 MET H H 1 7.585 0.041 . 1 . . . . . . . . 5287 1 282 . 1 1 145 145 MET N N 15 113.259 0.200 . 1 . . . . . . . . 5287 1 283 . 1 1 146 146 THR H H 1 7.568 0.037 . 1 . . . . . . . . 5287 1 284 . 1 1 146 146 THR N N 15 108.741 0.223 . 1 . . . . . . . . 5287 1 285 . 1 1 147 147 ALA H H 1 7.677 0.038 . 1 . . . . . . . . 5287 1 286 . 1 1 147 147 ALA N N 15 126.956 0.211 . 1 . . . . . . . . 5287 1 287 . 1 1 148 148 LYS H H 1 8.072 0.034 . 1 . . . . . . . . 5287 1 288 . 1 1 148 148 LYS N N 15 127.223 0.174 . 1 . . . . . . . . 5287 1 stop_ save_