data_5896 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5896 _Entry.Title ; Unusual Ca2+-calmodulin binding interactions of the microtubule-associated protein F-STOP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-05 _Entry.Accession_date 2003-08-05 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _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 Denis Bouvier . . . 5896 2 Cecile Vanhaverbeke . . . 5896 3 Jean-Pierre Simorre . . . 5896 4 Pierre Gans . . . 5896 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5896 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 152 5896 '13C chemical shifts' 153 5896 '15N chemical shifts' 152 5896 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 . . 2004-02-11 2003-08-05 original author . 5896 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5896 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22878800 _Citation.DOI . _Citation.PubMed_ID 14516200 _Citation.Full_citation . _Citation.Title ; Unusual Ca(2+)-calmodulin Binding Interactions of the Microtubule-associated Protein F-STOP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 39 _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 11484 _Citation.Page_last 11493 _Citation.Year 2003 _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 Denis Bouvier . . . 5896 1 2 Cecile Vanhaverbeke . . . 5896 1 3 Jean-Pierre Simorre . . . 5896 1 4 Gerard Arlaud . . . 5896 1 5 Isabelle Bally . . . 5896 1 6 Vincent Forge . . . 5896 1 7 Robert Margolis . L. . 5896 1 8 Pierre Gans . . . 5896 1 9 Jean-Philippe Kleman . . . 5896 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5896 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 3000422 _Citation.Full_citation ; Roberts DM, Crea R, Malecha M, Alvarado-Urbina G, Chiarello RH, Watterson DM. Chemical synthesis and expression of a calmodulin gene designed for site-specific mutagenesis. Biochemistry. 1985 24(19):5090-8. ; _Citation.Title 'Chemical synthesis and expression of a calmodulin gene designed for site-specific mutagenesis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 24 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 5090 _Citation.Page_last 5098 _Citation.Year 1985 _Citation.Details ; A gene coding for a calmodulin was synthesized and expressed in Escherichia coli. The gene was produced by the enzymatic ligation of 61 chemically synthesized DNA fragments. The gene possesses 27 unique, regularly spaced, restriction endonuclease cleavage sites to facilitate gene mutagenesis by the replacement of specific gene segments with synthetic double-stranded DNA. An expression vector containing the calmodulin gene was used to transform E. coli. Purification and characterization of calmodulin (VU-1 calmodulin) expressed by these transformants showed that it lacks two posttranslational modifications: an amino-terminal blocking group and N epsilon, N epsilon, N epsilon-trimethyllysine at position 115. The cyclic nucleotide phosphodiesterase activator properties of VU-1, higher plant, and vertebrate calmodulins were not statistically different. However, VU-1 calmodulin was found to activate nicotinamide adenine dinucleotide (NAD) kinase to a maximal level that was at least 3-fold higher than that found with higher plant and vertebrate calmodulins. This higher level of activation is also characteristic of calmodulins from Dictyostelium discoideum and Chlamydomonas reinhardtii [Roberts, D. M., Burgess, W. H., & Watterson, D. M. (1984) Plant Physiol. 75, 796-798; Marshak, D. R., Clarke, M., Roberts, D. M., & Watterson, D. M. (1984) Biochemistry 23, 2891-2899]. The only common feature among Dictyostelium, Chlamydomonas, and VU-1 calmodulins not found in higher plant and vertebrate calmodulins is an unmethylated lysine at position 115. The results indicate that the lack of methylation of lysine-115 may contribute to the maximal level of NAD kinase activation.(ABSTRACT TRUNCATED AT 250 WORDS) ; 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 'D. M.' Roberts D. M. . 5896 2 2 R. Crea R. . . 5896 2 3 M. Malecha M. . . 5896 2 4 G. Alvarado-Urbina G. . . 5896 2 5 'R. H.' Chiarello R. H. . 5896 2 6 'D. M.' Watterson D. M. . 5896 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5896 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11413126 _Citation.Full_citation ; Bosc C, Frank R, Denarier E, Ronjat M, Schweitzer A, Wehland J, Job D. Identification of novel bifunctional calmodulin-binding and microtubule-stabilizing motifs in STOP proteins. J Biol Chem. 2001 276(33):30904-13. ; _Citation.Title 'Identification of novel bifunctional calmodulin-binding and microtubule-stabilizing motifs in STOP proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 276 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 30904 _Citation.Page_last 30913 _Citation.Year 2001 _Citation.Details ; Although microtubules are intrinsically labile tubulin assemblies, many cell types contain stable polymers, resisting depolymerizing conditions such as exposure to the cold or the drug nocodazole. This microtubule stabilization is largely due to polymer association with STOP proteins. There are several STOP variants, some with capacity to induce microtubule resistance to both the cold and nocodazole, others with microtubule cold stabilizing activity only. These microtubule-stabilizing effects of STOP proteins are inhibited by calmodulin and we now demonstrate that they are determined by two distinct kinds of repeated modular sequences (Mn and Mc), both containing a calmodulin-binding peptide, but displaying different microtubule stabilizing activities. Mn modules induce microtubule resistance to both the cold and nocodazole when expressed in cells. Mc modules, which correspond to the STOP central repeats, have microtubule cold stabilizing activity only. Mouse neuronal STOPs, which induce both cold and drug resistance in cellular microtubules, contain three Mn modules and four Mc modules. Compared with neuronal STOPs, the non-neuronal F-STOP lacks multiple Mn modules and this corresponds with an inability to induce nocodazole resistance. STOP modules represent novel bifunctional calmodulin-binding and microtubule-stabilizing sequences that may be essential for the generation of the different patterns of microtubule stabilization observed in cells. ; 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 C. Bosc C. . . 5896 3 2 R. Frank R. . . 5896 3 3 E. Denarier E. . . 5896 3 4 M. Ronjat M. . . 5896 3 5 A. Schweitzer A. . . 5896 3 6 J. Wehland J. . . 5896 3 7 D. Job D. . . 5896 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_CAM-STP23_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode CAM-STP23_complex _Assembly.Entry_ID 5896 _Assembly.ID 1 _Assembly.Name 'VU-1 calmodulin/F-stop 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 present' _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 heterodimer 5896 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 . . . . . 5896 1 2 'F-STOP Mc module' 2 $STP23 . . . native . . . . . 5896 1 3 'CALCIUM (II) ION' 3 $CA . . . native . . . . . 5896 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . GenBank M11334 . . . . . . 5896 1 . GenBank Y14754 . . . . . 'fragment repeat of the central domain of F-STOP (Mc module)' 5896 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'VU-1 calmodulin/F-stop complex' system 5896 1 'CAM/STP23 complex' abbreviation 5896 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAM _Entity.Sf_category entity _Entity.Sf_framecode CAM _Entity.Entry_ID 5896 _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 ; MSHHHHHHSMDIEFMADQLT DEQIAEFKEAFSLFDKDGDG TITTKELGTVMRSLGQNPTE AELQDMINEVDADGNGTIDF PEFLNLMARKMKDTDSEEEL KEAFRVFDKDGNGFISAAEL RHVMTNLGEKLTDEEVDEMI READVDGDGQVNYEEFVQVM MAK ; _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 18522 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 GB ERE78236 . "microtubule-associated protein 6 [Cricetulus griseus]" . . . . . 65.22 130 100.00 100.00 8.29e-01 . . . . 5896 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID calmodulin common 5896 1 VU-CAM variant 5896 1 CAM abbreviation 5896 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5896 1 2 . SER . 5896 1 3 . HIS . 5896 1 4 . HIS . 5896 1 5 . HIS . 5896 1 6 . HIS . 5896 1 7 . HIS . 5896 1 8 . HIS . 5896 1 9 . SER . 5896 1 10 . MET . 5896 1 11 . ASP . 5896 1 12 . ILE . 5896 1 13 . GLU . 5896 1 14 . PHE . 5896 1 15 . MET . 5896 1 16 . ALA . 5896 1 17 . ASP . 5896 1 18 . GLN . 5896 1 19 . LEU . 5896 1 20 . THR . 5896 1 21 . ASP . 5896 1 22 . GLU . 5896 1 23 . GLN . 5896 1 24 . ILE . 5896 1 25 . ALA . 5896 1 26 . GLU . 5896 1 27 . PHE . 5896 1 28 . LYS . 5896 1 29 . GLU . 5896 1 30 . ALA . 5896 1 31 . PHE . 5896 1 32 . SER . 5896 1 33 . LEU . 5896 1 34 . PHE . 5896 1 35 . ASP . 5896 1 36 . LYS . 5896 1 37 . ASP . 5896 1 38 . GLY . 5896 1 39 . ASP . 5896 1 40 . GLY . 5896 1 41 . THR . 5896 1 42 . ILE . 5896 1 43 . THR . 5896 1 44 . THR . 5896 1 45 . LYS . 5896 1 46 . GLU . 5896 1 47 . LEU . 5896 1 48 . GLY . 5896 1 49 . THR . 5896 1 50 . VAL . 5896 1 51 . MET . 5896 1 52 . ARG . 5896 1 53 . SER . 5896 1 54 . LEU . 5896 1 55 . GLY . 5896 1 56 . GLN . 5896 1 57 . ASN . 5896 1 58 . PRO . 5896 1 59 . THR . 5896 1 60 . GLU . 5896 1 61 . ALA . 5896 1 62 . GLU . 5896 1 63 . LEU . 5896 1 64 . GLN . 5896 1 65 . ASP . 5896 1 66 . MET . 5896 1 67 . ILE . 5896 1 68 . ASN . 5896 1 69 . GLU . 5896 1 70 . VAL . 5896 1 71 . ASP . 5896 1 72 . ALA . 5896 1 73 . ASP . 5896 1 74 . GLY . 5896 1 75 . ASN . 5896 1 76 . GLY . 5896 1 77 . THR . 5896 1 78 . ILE . 5896 1 79 . ASP . 5896 1 80 . PHE . 5896 1 81 . PRO . 5896 1 82 . GLU . 5896 1 83 . PHE . 5896 1 84 . LEU . 5896 1 85 . ASN . 5896 1 86 . LEU . 5896 1 87 . MET . 5896 1 88 . ALA . 5896 1 89 . ARG . 5896 1 90 . LYS . 5896 1 91 . MET . 5896 1 92 . LYS . 5896 1 93 . ASP . 5896 1 94 . THR . 5896 1 95 . ASP . 5896 1 96 . SER . 5896 1 97 . GLU . 5896 1 98 . GLU . 5896 1 99 . GLU . 5896 1 100 . LEU . 5896 1 101 . LYS . 5896 1 102 . GLU . 5896 1 103 . ALA . 5896 1 104 . PHE . 5896 1 105 . ARG . 5896 1 106 . VAL . 5896 1 107 . PHE . 5896 1 108 . ASP . 5896 1 109 . LYS . 5896 1 110 . ASP . 5896 1 111 . GLY . 5896 1 112 . ASN . 5896 1 113 . GLY . 5896 1 114 . PHE . 5896 1 115 . ILE . 5896 1 116 . SER . 5896 1 117 . ALA . 5896 1 118 . ALA . 5896 1 119 . GLU . 5896 1 120 . LEU . 5896 1 121 . ARG . 5896 1 122 . HIS . 5896 1 123 . VAL . 5896 1 124 . MET . 5896 1 125 . THR . 5896 1 126 . ASN . 5896 1 127 . LEU . 5896 1 128 . GLY . 5896 1 129 . GLU . 5896 1 130 . LYS . 5896 1 131 . LEU . 5896 1 132 . THR . 5896 1 133 . ASP . 5896 1 134 . GLU . 5896 1 135 . GLU . 5896 1 136 . VAL . 5896 1 137 . ASP . 5896 1 138 . GLU . 5896 1 139 . MET . 5896 1 140 . ILE . 5896 1 141 . ARG . 5896 1 142 . GLU . 5896 1 143 . ALA . 5896 1 144 . ASP . 5896 1 145 . VAL . 5896 1 146 . ASP . 5896 1 147 . GLY . 5896 1 148 . ASP . 5896 1 149 . GLY . 5896 1 150 . GLN . 5896 1 151 . VAL . 5896 1 152 . ASN . 5896 1 153 . TYR . 5896 1 154 . GLU . 5896 1 155 . GLU . 5896 1 156 . PHE . 5896 1 157 . VAL . 5896 1 158 . GLN . 5896 1 159 . VAL . 5896 1 160 . MET . 5896 1 161 . MET . 5896 1 162 . ALA . 5896 1 163 . LYS . 5896 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5896 1 . SER 2 2 5896 1 . HIS 3 3 5896 1 . HIS 4 4 5896 1 . HIS 5 5 5896 1 . HIS 6 6 5896 1 . HIS 7 7 5896 1 . HIS 8 8 5896 1 . SER 9 9 5896 1 . MET 10 10 5896 1 . ASP 11 11 5896 1 . ILE 12 12 5896 1 . GLU 13 13 5896 1 . PHE 14 14 5896 1 . MET 15 15 5896 1 . ALA 16 16 5896 1 . ASP 17 17 5896 1 . GLN 18 18 5896 1 . LEU 19 19 5896 1 . THR 20 20 5896 1 . ASP 21 21 5896 1 . GLU 22 22 5896 1 . GLN 23 23 5896 1 . ILE 24 24 5896 1 . ALA 25 25 5896 1 . GLU 26 26 5896 1 . PHE 27 27 5896 1 . LYS 28 28 5896 1 . GLU 29 29 5896 1 . ALA 30 30 5896 1 . PHE 31 31 5896 1 . SER 32 32 5896 1 . LEU 33 33 5896 1 . PHE 34 34 5896 1 . ASP 35 35 5896 1 . LYS 36 36 5896 1 . ASP 37 37 5896 1 . GLY 38 38 5896 1 . ASP 39 39 5896 1 . GLY 40 40 5896 1 . THR 41 41 5896 1 . ILE 42 42 5896 1 . THR 43 43 5896 1 . THR 44 44 5896 1 . LYS 45 45 5896 1 . GLU 46 46 5896 1 . LEU 47 47 5896 1 . GLY 48 48 5896 1 . THR 49 49 5896 1 . VAL 50 50 5896 1 . MET 51 51 5896 1 . ARG 52 52 5896 1 . SER 53 53 5896 1 . LEU 54 54 5896 1 . GLY 55 55 5896 1 . GLN 56 56 5896 1 . ASN 57 57 5896 1 . PRO 58 58 5896 1 . THR 59 59 5896 1 . GLU 60 60 5896 1 . ALA 61 61 5896 1 . GLU 62 62 5896 1 . LEU 63 63 5896 1 . GLN 64 64 5896 1 . ASP 65 65 5896 1 . MET 66 66 5896 1 . ILE 67 67 5896 1 . ASN 68 68 5896 1 . GLU 69 69 5896 1 . VAL 70 70 5896 1 . ASP 71 71 5896 1 . ALA 72 72 5896 1 . ASP 73 73 5896 1 . GLY 74 74 5896 1 . ASN 75 75 5896 1 . GLY 76 76 5896 1 . THR 77 77 5896 1 . ILE 78 78 5896 1 . ASP 79 79 5896 1 . PHE 80 80 5896 1 . PRO 81 81 5896 1 . GLU 82 82 5896 1 . PHE 83 83 5896 1 . LEU 84 84 5896 1 . ASN 85 85 5896 1 . LEU 86 86 5896 1 . MET 87 87 5896 1 . ALA 88 88 5896 1 . ARG 89 89 5896 1 . LYS 90 90 5896 1 . MET 91 91 5896 1 . LYS 92 92 5896 1 . ASP 93 93 5896 1 . THR 94 94 5896 1 . ASP 95 95 5896 1 . SER 96 96 5896 1 . GLU 97 97 5896 1 . GLU 98 98 5896 1 . GLU 99 99 5896 1 . LEU 100 100 5896 1 . LYS 101 101 5896 1 . GLU 102 102 5896 1 . ALA 103 103 5896 1 . PHE 104 104 5896 1 . ARG 105 105 5896 1 . VAL 106 106 5896 1 . PHE 107 107 5896 1 . ASP 108 108 5896 1 . LYS 109 109 5896 1 . ASP 110 110 5896 1 . GLY 111 111 5896 1 . ASN 112 112 5896 1 . GLY 113 113 5896 1 . PHE 114 114 5896 1 . ILE 115 115 5896 1 . SER 116 116 5896 1 . ALA 117 117 5896 1 . ALA 118 118 5896 1 . GLU 119 119 5896 1 . LEU 120 120 5896 1 . ARG 121 121 5896 1 . HIS 122 122 5896 1 . VAL 123 123 5896 1 . MET 124 124 5896 1 . THR 125 125 5896 1 . ASN 126 126 5896 1 . LEU 127 127 5896 1 . GLY 128 128 5896 1 . GLU 129 129 5896 1 . LYS 130 130 5896 1 . LEU 131 131 5896 1 . THR 132 132 5896 1 . ASP 133 133 5896 1 . GLU 134 134 5896 1 . GLU 135 135 5896 1 . VAL 136 136 5896 1 . ASP 137 137 5896 1 . GLU 138 138 5896 1 . MET 139 139 5896 1 . ILE 140 140 5896 1 . ARG 141 141 5896 1 . GLU 142 142 5896 1 . ALA 143 143 5896 1 . ASP 144 144 5896 1 . VAL 145 145 5896 1 . ASP 146 146 5896 1 . GLY 147 147 5896 1 . ASP 148 148 5896 1 . GLY 149 149 5896 1 . GLN 150 150 5896 1 . VAL 151 151 5896 1 . ASN 152 152 5896 1 . TYR 153 153 5896 1 . GLU 154 154 5896 1 . GLU 155 155 5896 1 . PHE 156 156 5896 1 . VAL 157 157 5896 1 . GLN 158 158 5896 1 . VAL 159 159 5896 1 . MET 160 160 5896 1 . MET 161 161 5896 1 . ALA 162 162 5896 1 . LYS 163 163 5896 1 stop_ save_ save_STP23 _Entity.Sf_category entity _Entity.Sf_framecode STP23 _Entity.Entry_ID 5896 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'F-STOP Mc module' _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 ; QRDTRRKAGPAWMVTRTEGH EEK ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2739 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2007-10-08 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 . . REF NP_058900.1 . 'microtubule-associated protein 6[Rattus norvegicus]' . . . . . 2.42 952 100 100 2e-05 . . . . 5896 2 . . REF NP_058900.1 . 'microtubule-associated protein 6[Rattus norvegicus]' . . . . . 2.42 952 100 100 2e-05 . . . . 5896 2 . . REF NP_058900.1 . 'microtubule-associated protein 6[Rattus norvegicus]' . . . . . 2.42 952 100 100 5e-06 . . . . 5896 2 . . REF NP_058900.1 . 'microtubule-associated protein 6[Rattus norvegicus]' . . . . . 2.42 952 100 100 5e-06 . . . . 5896 2 . . PRF 2208500A . 'microtubule-stabilizing protein' . . . . . 2.42 952 100 100 5e-06 . . . . 5896 2 . . REF NP_001036820.2 . 'microtubule-associated protein 6isoform 3 [Mus musculus]' . . . . . 7.52 306 100 100 2e-05 . . . . 5896 2 . . GenBank EDM18414.1 . 'rCG39515, isoform CRA_a [Rattusnorvegicus]' . . . . . 2.42 952 100 100 5e-06 . . . . 5896 2 . . GenBank EDM18414.1 . 'rCG39515, isoform CRA_a [Rattusnorvegicus]' . . . . . 2.42 952 100 100 2e-05 . . . . 5896 2 . . GenBank EDM18414.1 . 'rCG39515, isoform CRA_a [Rattusnorvegicus]' . . . . . 2.42 952 100 100 5e-06 . . . . 5896 2 . . GenBank EDM18414.1 . 'rCG39515, isoform CRA_a [Rattusnorvegicus]' . . . . . 2.42 952 100 100 5e-06 . . . . 5896 2 . . EMBL CAA05555.1 . 'E-STOP protein [Rattus norvegicus]' . . . . . 3.48 660 100 100 2e-05 . . . . 5896 2 . . GenBank EDM18415.1 . 'rCG39515, isoform CRA_b [Rattusnorvegicus]' . . . . . 3.48 660 100 100 5e-06 . . . . 5896 2 . . EMBL CAA05555.1 . 'E-STOP protein [Rattus norvegicus]' . . . . . 3.48 660 100 100 5e-06 . . . . 5896 2 . . EMBL CAA05555.1 . 'E-STOP protein [Rattus norvegicus]' . . . . . 3.48 660 100 100 2e-05 . . . . 5896 2 . . EMBL CAA05555.1 . 'E-STOP protein [Rattus norvegicus]' . . . . . 3.48 660 100 100 5e-06 . . . . 5896 2 . . EMBL CAA05555.1 . 'E-STOP protein [Rattus norvegicus]' . . . . . 3.48 660 100 100 5e-06 . . . . 5896 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'F-STOP Mc module' common 5896 2 STP23 abbreviation 5896 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 . GLN . 5896 2 2 . ARG . 5896 2 3 . ASP . 5896 2 4 . THR . 5896 2 5 . ARG . 5896 2 6 . ARG . 5896 2 7 . LYS . 5896 2 8 . ALA . 5896 2 9 . GLY . 5896 2 10 . PRO . 5896 2 11 . ALA . 5896 2 12 . TRP . 5896 2 13 . MET . 5896 2 14 . VAL . 5896 2 15 . THR . 5896 2 16 . ARG . 5896 2 17 . THR . 5896 2 18 . GLU . 5896 2 19 . GLY . 5896 2 20 . HIS . 5896 2 21 . GLU . 5896 2 22 . GLU . 5896 2 23 . LYS . 5896 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 . GLN 1 1 5896 2 . ARG 2 2 5896 2 . ASP 3 3 5896 2 . THR 4 4 5896 2 . ARG 5 5 5896 2 . ARG 6 6 5896 2 . LYS 7 7 5896 2 . ALA 8 8 5896 2 . GLY 9 9 5896 2 . PRO 10 10 5896 2 . ALA 11 11 5896 2 . TRP 12 12 5896 2 . MET 13 13 5896 2 . VAL 14 14 5896 2 . THR 15 15 5896 2 . ARG 16 16 5896 2 . THR 17 17 5896 2 . GLU 18 18 5896 2 . GLY 19 19 5896 2 . HIS 20 20 5896 2 . GLU 21 21 5896 2 . GLU 22 22 5896 2 . LYS 23 23 5896 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5896 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 5896 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 5896 3 CA 'Three letter code' 5896 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 5896 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 5896 3 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 5896 _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 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 5896 1 2 2 $STP23 . 10090 organism . 'mus musculus' 'house mouse' . . Eukaryota Metazoa mus musculus . . . . . . . . . . . . . . . . . . . . . 5896 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 5896 _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 2 $STP23 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5896 1 2 1 $CAM . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . 'Synthetic construct for VU-1 calmodulin described in ref 1' . . 5896 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5896 _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 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _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.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _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 InChI=1S/Ca/q+2 InChI InChI 1.03 5896 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5896 CA [Ca+2] SMILES ACDLabs 10.04 5896 CA [Ca++] SMILES CACTVS 3.341 5896 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5896 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5896 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5896 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 5896 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5896 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5896 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5896 _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-97% 13C; U-98% 15N]' . . 1 $CAM . . 0.7 . . mM . . . . 5896 1 2 'F-STOP Mc module' . . . 2 $STP23 . . 0.7 . . mM . . . . 5896 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5896 _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 7.7 0.05 n/a 5896 1 temperature 300 0.5 K 5896 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5896 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data processing' 5896 1 'peak picking' 5896 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 5896 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5896 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5896 _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_1 Varian Inova . 600 . . . 5896 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 5896 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 5896 _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 HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5896 1 2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Condition_1 . . . . . . . . . . . . . . . . . . . . . 5896 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5896 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N 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 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5896 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.Software_label $FELIX _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 5896 _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 . . . . . . . . . 5896 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5896 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5896 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 5896 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 . 5896 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 10 10 MET H H 1 8.36 0.02 . 1 . . . . . . . . 5896 1 2 . 1 1 10 10 MET CA C 13 56.3 0.2 . 1 . . . . . . . . 5896 1 3 . 1 1 10 10 MET N N 15 121.7 0.2 . 1 . . . . . . . . 5896 1 4 . 1 1 11 11 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5896 1 5 . 1 1 11 11 ASP CA C 13 54.9 0.2 . 1 . . . . . . . . 5896 1 6 . 1 1 11 11 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 5896 1 7 . 1 1 12 12 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 5896 1 8 . 1 1 12 12 ILE CA C 13 61.7 0.2 . 1 . . . . . . . . 5896 1 9 . 1 1 12 12 ILE N N 15 120.1 0.2 . 1 . . . . . . . . 5896 1 10 . 1 1 13 13 GLU H H 1 8.28 0.02 . 1 . . . . . . . . 5896 1 11 . 1 1 13 13 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 5896 1 12 . 1 1 13 13 GLU N N 15 123.9 0.2 . 1 . . . . . . . . 5896 1 13 . 1 1 14 14 PHE H H 1 8.05 0.02 . 1 . . . . . . . . 5896 1 14 . 1 1 14 14 PHE CA C 13 58.3 0.2 . 1 . . . . . . . . 5896 1 15 . 1 1 14 14 PHE N N 15 120.9 0.2 . 1 . . . . . . . . 5896 1 16 . 1 1 15 15 MET H H 1 7.96 0.02 . 1 . . . . . . . . 5896 1 17 . 1 1 15 15 MET CA C 13 55.9 0.2 . 1 . . . . . . . . 5896 1 18 . 1 1 15 15 MET N N 15 121.8 0.2 . 1 . . . . . . . . 5896 1 19 . 1 1 16 16 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 5896 1 20 . 1 1 16 16 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 5896 1 21 . 1 1 16 16 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 5896 1 22 . 1 1 17 17 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 5896 1 23 . 1 1 17 17 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 5896 1 24 . 1 1 17 17 ASP N N 15 116.5 0.2 . 1 . . . . . . . . 5896 1 25 . 1 1 18 18 GLN H H 1 7.84 0.02 . 1 . . . . . . . . 5896 1 26 . 1 1 18 18 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 5896 1 27 . 1 1 18 18 GLN N N 15 117.9 0.2 . 1 . . . . . . . . 5896 1 28 . 1 1 19 19 LEU H H 1 7.66 0.02 . 1 . . . . . . . . 5896 1 29 . 1 1 19 19 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5896 1 30 . 1 1 19 19 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5896 1 31 . 1 1 20 20 THR H H 1 8.68 0.02 . 1 . . . . . . . . 5896 1 32 . 1 1 20 20 THR CA C 13 60.9 0.2 . 1 . . . . . . . . 5896 1 33 . 1 1 20 20 THR N N 15 112.9 0.2 . 1 . . . . . . . . 5896 1 34 . 1 1 21 21 ASP H H 1 8.87 0.02 . 1 . . . . . . . . 5896 1 35 . 1 1 21 21 ASP CA C 13 58.2 0.2 . 1 . . . . . . . . 5896 1 36 . 1 1 21 21 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 5896 1 37 . 1 1 22 22 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 5896 1 38 . 1 1 22 22 GLU CA C 13 60.4 0.2 . 1 . . . . . . . . 5896 1 39 . 1 1 22 22 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 5896 1 40 . 1 1 23 23 GLN H H 1 7.68 0.02 . 1 . . . . . . . . 5896 1 41 . 1 1 23 23 GLN CA C 13 59.0 0.2 . 1 . . . . . . . . 5896 1 42 . 1 1 23 23 GLN N N 15 120.5 0.2 . 1 . . . . . . . . 5896 1 43 . 1 1 24 24 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 5896 1 44 . 1 1 24 24 ILE CA C 13 66.4 0.2 . 1 . . . . . . . . 5896 1 45 . 1 1 24 24 ILE N N 15 119.6 0.2 . 1 . . . . . . . . 5896 1 46 . 1 1 25 25 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 5896 1 47 . 1 1 25 25 ALA CA C 13 55.9 0.2 . 1 . . . . . . . . 5896 1 48 . 1 1 25 25 ALA N N 15 121.3 0.2 . 1 . . . . . . . . 5896 1 49 . 1 1 26 26 GLU H H 1 7.71 0.02 . 1 . . . . . . . . 5896 1 50 . 1 1 26 26 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 5896 1 51 . 1 1 26 26 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 5896 1 52 . 1 1 27 27 PHE H H 1 8.50 0.02 . 1 . . . . . . . . 5896 1 53 . 1 1 27 27 PHE CA C 13 60.1 0.2 . 1 . . . . . . . . 5896 1 54 . 1 1 27 27 PHE N N 15 120.2 0.2 . 1 . . . . . . . . 5896 1 55 . 1 1 28 28 LYS H H 1 9.13 0.02 . 1 . . . . . . . . 5896 1 56 . 1 1 28 28 LYS CA C 13 60.5 0.2 . 1 . . . . . . . . 5896 1 57 . 1 1 28 28 LYS N N 15 123.5 0.2 . 1 . . . . . . . . 5896 1 58 . 1 1 29 29 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 5896 1 59 . 1 1 29 29 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 5896 1 60 . 1 1 29 29 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 5896 1 61 . 1 1 30 30 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 5896 1 62 . 1 1 30 30 ALA CA C 13 55.7 0.2 . 1 . . . . . . . . 5896 1 63 . 1 1 30 30 ALA N N 15 122.7 0.2 . 1 . . . . . . . . 5896 1 64 . 1 1 31 31 PHE H H 1 8.74 0.02 . 1 . . . . . . . . 5896 1 65 . 1 1 31 31 PHE CA C 13 62.4 0.2 . 1 . . . . . . . . 5896 1 66 . 1 1 31 31 PHE N N 15 119.3 0.2 . 1 . . . . . . . . 5896 1 67 . 1 1 32 32 SER H H 1 7.85 0.02 . 1 . . . . . . . . 5896 1 68 . 1 1 32 32 SER CA C 13 61.9 0.2 . 1 . . . . . . . . 5896 1 69 . 1 1 32 32 SER N N 15 112.4 0.2 . 1 . . . . . . . . 5896 1 70 . 1 1 33 33 LEU H H 1 7.40 0.02 . 1 . . . . . . . . 5896 1 71 . 1 1 33 33 LEU CA C 13 59.6 0.2 . 1 . . . . . . . . 5896 1 72 . 1 1 33 33 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5896 1 73 . 1 1 34 34 PHE H H 1 7.33 0.02 . 1 . . . . . . . . 5896 1 74 . 1 1 34 34 PHE CA C 13 59.7 0.2 . 1 . . . . . . . . 5896 1 75 . 1 1 34 34 PHE N N 15 115.0 0.2 . 1 . . . . . . . . 5896 1 76 . 1 1 35 35 ASP H H 1 7.71 0.02 . 1 . . . . . . . . 5896 1 77 . 1 1 35 35 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 5896 1 78 . 1 1 35 35 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 5896 1 79 . 1 1 36 36 LYS H H 1 7.59 0.02 . 1 . . . . . . . . 5896 1 80 . 1 1 36 36 LYS CA C 13 58.9 0.2 . 1 . . . . . . . . 5896 1 81 . 1 1 36 36 LYS N N 15 124.5 0.2 . 1 . . . . . . . . 5896 1 82 . 1 1 37 37 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 5896 1 83 . 1 1 37 37 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 5896 1 84 . 1 1 37 37 ASP N N 15 114.0 0.2 . 1 . . . . . . . . 5896 1 85 . 1 1 38 38 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 5896 1 86 . 1 1 38 38 GLY CA C 13 47.6 0.2 . 1 . . . . . . . . 5896 1 87 . 1 1 38 38 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5896 1 88 . 1 1 39 39 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 5896 1 89 . 1 1 39 39 ASP CA C 13 54.1 0.2 . 1 . . . . . . . . 5896 1 90 . 1 1 39 39 ASP N N 15 120.6 0.2 . 1 . . . . . . . . 5896 1 91 . 1 1 40 40 GLY H H 1 10.52 0.02 . 1 . . . . . . . . 5896 1 92 . 1 1 40 40 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 5896 1 93 . 1 1 40 40 GLY N N 15 113.3 0.2 . 1 . . . . . . . . 5896 1 94 . 1 1 41 41 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5896 1 95 . 1 1 41 41 THR CA C 13 60.2 0.2 . 1 . . . . . . . . 5896 1 96 . 1 1 41 41 THR N N 15 112.8 0.2 . 1 . . . . . . . . 5896 1 97 . 1 1 42 42 ILE H H 1 9.69 0.02 . 1 . . . . . . . . 5896 1 98 . 1 1 42 42 ILE CA C 13 52.8 0.2 . 1 . . . . . . . . 5896 1 99 . 1 1 42 42 ILE N N 15 127.1 0.2 . 1 . . . . . . . . 5896 1 100 . 1 1 43 43 THR H H 1 8.37 0.02 . 1 . . . . . . . . 5896 1 101 . 1 1 43 43 THR CA C 13 60.0 0.2 . 1 . . . . . . . . 5896 1 102 . 1 1 43 43 THR N N 15 116.6 0.2 . 1 . . . . . . . . 5896 1 103 . 1 1 44 44 THR H H 1 8.98 0.02 . 1 . . . . . . . . 5896 1 104 . 1 1 44 44 THR CA C 13 66.9 0.2 . 1 . . . . . . . . 5896 1 105 . 1 1 44 44 THR N N 15 113.1 0.2 . 1 . . . . . . . . 5896 1 106 . 1 1 45 45 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 5896 1 107 . 1 1 45 45 LYS CA C 13 59.9 0.2 . 1 . . . . . . . . 5896 1 108 . 1 1 45 45 LYS N N 15 119.4 0.2 . 1 . . . . . . . . 5896 1 109 . 1 1 46 46 GLU H H 1 7.56 0.02 . 1 . . . . . . . . 5896 1 110 . 1 1 46 46 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 5896 1 111 . 1 1 46 46 GLU N N 15 121.3 0.2 . 1 . . . . . . . . 5896 1 112 . 1 1 47 47 LEU H H 1 8.67 0.02 . 1 . . . . . . . . 5896 1 113 . 1 1 47 47 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 5896 1 114 . 1 1 47 47 LEU N N 15 121.0 0.2 . 1 . . . . . . . . 5896 1 115 . 1 1 48 48 GLY H H 1 8.48 0.02 . 1 . . . . . . . . 5896 1 116 . 1 1 48 48 GLY CA C 13 48.8 0.2 . 1 . . . . . . . . 5896 1 117 . 1 1 48 48 GLY N N 15 105.9 0.2 . 1 . . . . . . . . 5896 1 118 . 1 1 49 49 THR H H 1 7.71 0.02 . 1 . . . . . . . . 5896 1 119 . 1 1 49 49 THR CA C 13 67.1 0.2 . 1 . . . . . . . . 5896 1 120 . 1 1 49 49 THR N N 15 117.9 0.2 . 1 . . . . . . . . 5896 1 121 . 1 1 50 50 VAL H H 1 7.53 0.02 . 1 . . . . . . . . 5896 1 122 . 1 1 50 50 VAL CA C 13 66.5 0.2 . 1 . . . . . . . . 5896 1 123 . 1 1 50 50 VAL N N 15 122.3 0.2 . 1 . . . . . . . . 5896 1 124 . 1 1 51 51 MET H H 1 8.36 0.02 . 1 . . . . . . . . 5896 1 125 . 1 1 51 51 MET CA C 13 59.2 0.2 . 1 . . . . . . . . 5896 1 126 . 1 1 51 51 MET N N 15 118.4 0.2 . 1 . . . . . . . . 5896 1 127 . 1 1 52 52 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 5896 1 128 . 1 1 52 52 ARG CA C 13 59.5 0.2 . 1 . . . . . . . . 5896 1 129 . 1 1 52 52 ARG N N 15 119.3 0.2 . 1 . . . . . . . . 5896 1 130 . 1 1 53 53 SER H H 1 7.82 0.02 . 1 . . . . . . . . 5896 1 131 . 1 1 53 53 SER CA C 13 62.0 0.2 . 1 . . . . . . . . 5896 1 132 . 1 1 53 53 SER N N 15 119.0 0.2 . 1 . . . . . . . . 5896 1 133 . 1 1 54 54 LEU H H 1 7.29 0.02 . 1 . . . . . . . . 5896 1 134 . 1 1 54 54 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 5896 1 135 . 1 1 54 54 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 5896 1 136 . 1 1 55 55 GLY H H 1 7.78 0.02 . 1 . . . . . . . . 5896 1 137 . 1 1 55 55 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 5896 1 138 . 1 1 55 55 GLY N N 15 107.0 0.2 . 1 . . . . . . . . 5896 1 139 . 1 1 56 56 GLN H H 1 7.71 0.02 . 1 . . . . . . . . 5896 1 140 . 1 1 56 56 GLN CA C 13 54.8 0.2 . 1 . . . . . . . . 5896 1 141 . 1 1 56 56 GLN N N 15 118.6 0.2 . 1 . . . . . . . . 5896 1 142 . 1 1 57 57 ASN H H 1 8.63 0.02 . 1 . . . . . . . . 5896 1 143 . 1 1 57 57 ASN N N 15 116.5 0.2 . 1 . . . . . . . . 5896 1 144 . 1 1 58 58 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 5896 1 145 . 1 1 59 59 THR H H 1 8.69 0.02 . 1 . . . . . . . . 5896 1 146 . 1 1 59 59 THR CA C 13 60.9 0.2 . 1 . . . . . . . . 5896 1 147 . 1 1 59 59 THR N N 15 113.2 0.2 . 1 . . . . . . . . 5896 1 148 . 1 1 60 60 GLU H H 1 8.71 0.02 . 1 . . . . . . . . 5896 1 149 . 1 1 60 60 GLU CA C 13 60.5 0.2 . 1 . . . . . . . . 5896 1 150 . 1 1 60 60 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 5896 1 151 . 1 1 61 61 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 5896 1 152 . 1 1 61 61 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 5896 1 153 . 1 1 61 61 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 5896 1 154 . 1 1 62 62 GLU H H 1 7.59 0.02 . 1 . . . . . . . . 5896 1 155 . 1 1 62 62 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 5896 1 156 . 1 1 62 62 GLU N N 15 118.7 0.2 . 1 . . . . . . . . 5896 1 157 . 1 1 63 63 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 5896 1 158 . 1 1 63 63 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 5896 1 159 . 1 1 63 63 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 5896 1 160 . 1 1 64 64 GLN H H 1 8.04 0.02 . 1 . . . . . . . . 5896 1 161 . 1 1 64 64 GLN CA C 13 58.9 0.2 . 1 . . . . . . . . 5896 1 162 . 1 1 64 64 GLN N N 15 118.4 0.2 . 1 . . . . . . . . 5896 1 163 . 1 1 65 65 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 5896 1 164 . 1 1 65 65 ASP CA C 13 57.9 0.2 . 1 . . . . . . . . 5896 1 165 . 1 1 65 65 ASP N N 15 119.9 0.2 . 1 . . . . . . . . 5896 1 166 . 1 1 66 66 MET H H 1 7.75 0.02 . 1 . . . . . . . . 5896 1 167 . 1 1 66 66 MET CA C 13 59.8 0.2 . 1 . . . . . . . . 5896 1 168 . 1 1 66 66 MET N N 15 119.4 0.2 . 1 . . . . . . . . 5896 1 169 . 1 1 67 67 ILE H H 1 7.60 0.02 . 1 . . . . . . . . 5896 1 170 . 1 1 67 67 ILE CA C 13 65.2 0.2 . 1 . . . . . . . . 5896 1 171 . 1 1 67 67 ILE N N 15 117.8 0.2 . 1 . . . . . . . . 5896 1 172 . 1 1 68 68 ASN H H 1 8.42 0.02 . 1 . . . . . . . . 5896 1 173 . 1 1 68 68 ASN CA C 13 56.2 0.2 . 1 . . . . . . . . 5896 1 174 . 1 1 68 68 ASN N N 15 117.5 0.2 . 1 . . . . . . . . 5896 1 175 . 1 1 69 69 GLU H H 1 7.51 0.02 . 1 . . . . . . . . 5896 1 176 . 1 1 69 69 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 5896 1 177 . 1 1 69 69 GLU N N 15 116.9 0.2 . 1 . . . . . . . . 5896 1 178 . 1 1 70 70 VAL H H 1 7.10 0.02 . 1 . . . . . . . . 5896 1 179 . 1 1 70 70 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 5896 1 180 . 1 1 70 70 VAL N N 15 107.4 0.2 . 1 . . . . . . . . 5896 1 181 . 1 1 71 71 ASP H H 1 7.60 0.02 . 1 . . . . . . . . 5896 1 182 . 1 1 71 71 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 5896 1 183 . 1 1 71 71 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 5896 1 184 . 1 1 72 72 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 5896 1 185 . 1 1 72 72 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5896 1 186 . 1 1 72 72 ALA N N 15 131.9 0.2 . 1 . . . . . . . . 5896 1 187 . 1 1 73 73 ASP H H 1 8.02 0.02 . 1 . . . . . . . . 5896 1 188 . 1 1 73 73 ASP CA C 13 53.0 0.2 . 1 . . . . . . . . 5896 1 189 . 1 1 73 73 ASP N N 15 113.6 0.2 . 1 . . . . . . . . 5896 1 190 . 1 1 74 74 GLY H H 1 7.46 0.02 . 1 . . . . . . . . 5896 1 191 . 1 1 74 74 GLY CA C 13 47.6 0.2 . 1 . . . . . . . . 5896 1 192 . 1 1 74 74 GLY N N 15 108.3 0.2 . 1 . . . . . . . . 5896 1 193 . 1 1 75 75 ASN H H 1 7.94 0.02 . 1 . . . . . . . . 5896 1 194 . 1 1 75 75 ASN CA C 13 53.0 0.2 . 1 . . . . . . . . 5896 1 195 . 1 1 75 75 ASN N N 15 118.3 0.2 . 1 . . . . . . . . 5896 1 196 . 1 1 76 76 GLY H H 1 10.53 0.02 . 1 . . . . . . . . 5896 1 197 . 1 1 76 76 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 5896 1 198 . 1 1 76 76 GLY N N 15 113.7 0.2 . 1 . . . . . . . . 5896 1 199 . 1 1 77 77 THR H H 1 7.57 0.02 . 1 . . . . . . . . 5896 1 200 . 1 1 77 77 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 5896 1 201 . 1 1 77 77 THR N N 15 109.0 0.2 . 1 . . . . . . . . 5896 1 202 . 1 1 78 78 ILE H H 1 8.86 0.02 . 1 . . . . . . . . 5896 1 203 . 1 1 78 78 ILE CA C 13 60.0 0.2 . 1 . . . . . . . . 5896 1 204 . 1 1 78 78 ILE N N 15 123.6 0.2 . 1 . . . . . . . . 5896 1 205 . 1 1 79 79 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 5896 1 206 . 1 1 79 79 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 5896 1 207 . 1 1 79 79 ASP N N 15 128.2 0.2 . 1 . . . . . . . . 5896 1 208 . 1 1 80 80 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 5896 1 209 . 1 1 80 80 PHE CA C 13 64.1 0.2 . 1 . . . . . . . . 5896 1 210 . 1 1 80 80 PHE N N 15 118.5 0.2 . 1 . . . . . . . . 5896 1 211 . 1 1 81 81 PRO CA C 13 66.9 0.2 . 1 . . . . . . . . 5896 1 212 . 1 1 82 82 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5896 1 213 . 1 1 82 82 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 5896 1 214 . 1 1 82 82 GLU N N 15 117.2 0.2 . 1 . . . . . . . . 5896 1 215 . 1 1 83 83 PHE H H 1 8.74 0.02 . 1 . . . . . . . . 5896 1 216 . 1 1 83 83 PHE CA C 13 61.5 0.2 . 1 . . . . . . . . 5896 1 217 . 1 1 83 83 PHE N N 15 122.9 0.2 . 1 . . . . . . . . 5896 1 218 . 1 1 84 84 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 5896 1 219 . 1 1 84 84 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 5896 1 220 . 1 1 84 84 LEU N N 15 118.9 0.2 . 1 . . . . . . . . 5896 1 221 . 1 1 85 85 ASN H H 1 7.12 0.02 . 1 . . . . . . . . 5896 1 222 . 1 1 85 85 ASN CA C 13 56.1 0.2 . 1 . . . . . . . . 5896 1 223 . 1 1 85 85 ASN N N 15 116.3 0.2 . 1 . . . . . . . . 5896 1 224 . 1 1 86 86 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 5896 1 225 . 1 1 86 86 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 5896 1 226 . 1 1 86 86 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 5896 1 227 . 1 1 87 87 MET H H 1 7.90 0.02 . 1 . . . . . . . . 5896 1 228 . 1 1 87 87 MET CA C 13 56.2 0.2 . 1 . . . . . . . . 5896 1 229 . 1 1 87 87 MET N N 15 116.0 0.2 . 1 . . . . . . . . 5896 1 230 . 1 1 88 88 ALA H H 1 7.92 0.02 . 1 . . . . . . . . 5896 1 231 . 1 1 88 88 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5896 1 232 . 1 1 88 88 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 5896 1 233 . 1 1 89 89 ARG H H 1 7.46 0.02 . 1 . . . . . . . . 5896 1 234 . 1 1 89 89 ARG CA C 13 58.3 0.2 . 1 . . . . . . . . 5896 1 235 . 1 1 89 89 ARG N N 15 116.8 0.2 . 1 . . . . . . . . 5896 1 236 . 1 1 90 90 LYS H H 1 7.77 0.02 . 1 . . . . . . . . 5896 1 237 . 1 1 90 90 LYS CA C 13 57.1 0.2 . 1 . . . . . . . . 5896 1 238 . 1 1 90 90 LYS N N 15 118.9 0.2 . 1 . . . . . . . . 5896 1 239 . 1 1 91 91 MET H H 1 7.88 0.02 . 1 . . . . . . . . 5896 1 240 . 1 1 91 91 MET CA C 13 57.0 0.2 . 1 . . . . . . . . 5896 1 241 . 1 1 91 91 MET N N 15 119.1 0.2 . 1 . . . . . . . . 5896 1 242 . 1 1 92 92 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 5896 1 243 . 1 1 92 92 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 5896 1 244 . 1 1 92 92 LYS N N 15 120.6 0.2 . 1 . . . . . . . . 5896 1 245 . 1 1 93 93 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5896 1 246 . 1 1 93 93 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 5896 1 247 . 1 1 93 93 ASP N N 15 121.9 0.2 . 1 . . . . . . . . 5896 1 248 . 1 1 94 94 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5896 1 249 . 1 1 94 94 THR CA C 13 62.8 0.2 . 1 . . . . . . . . 5896 1 250 . 1 1 94 94 THR N N 15 114.8 0.2 . 1 . . . . . . . . 5896 1 251 . 1 1 95 95 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5896 1 252 . 1 1 95 95 ASP CA C 13 55.3 0.2 . 1 . . . . . . . . 5896 1 253 . 1 1 95 95 ASP N N 15 123.4 0.2 . 1 . . . . . . . . 5896 1 254 . 1 1 96 96 SER H H 1 8.35 0.02 . 1 . . . . . . . . 5896 1 255 . 1 1 96 96 SER CA C 13 60.0 0.2 . 1 . . . . . . . . 5896 1 256 . 1 1 96 96 SER N N 15 117.3 0.2 . 1 . . . . . . . . 5896 1 257 . 1 1 97 97 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5896 1 258 . 1 1 97 97 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 5896 1 259 . 1 1 97 97 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 5896 1 260 . 1 1 98 98 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5896 1 261 . 1 1 98 98 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 5896 1 262 . 1 1 98 98 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 5896 1 263 . 1 1 99 99 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5896 1 264 . 1 1 99 99 GLU CA C 13 59.9 0.2 . 1 . . . . . . . . 5896 1 265 . 1 1 99 99 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 5896 1 266 . 1 1 100 100 LEU H H 1 7.98 0.02 . 1 . . . . . . . . 5896 1 267 . 1 1 100 100 LEU CA C 13 58.4 0.2 . 1 . . . . . . . . 5896 1 268 . 1 1 100 100 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 5896 1 269 . 1 1 101 101 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 5896 1 270 . 1 1 101 101 LYS CA C 13 60.6 0.2 . 1 . . . . . . . . 5896 1 271 . 1 1 101 101 LYS N N 15 121.0 0.2 . 1 . . . . . . . . 5896 1 272 . 1 1 102 102 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 5896 1 273 . 1 1 102 102 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 5896 1 274 . 1 1 102 102 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 5896 1 275 . 1 1 103 103 ALA H H 1 7.97 0.02 . 1 . . . . . . . . 5896 1 276 . 1 1 103 103 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 5896 1 277 . 1 1 103 103 ALA N N 15 121.9 0.2 . 1 . . . . . . . . 5896 1 278 . 1 1 104 104 PHE H H 1 8.48 0.02 . 1 . . . . . . . . 5896 1 279 . 1 1 104 104 PHE CA C 13 62.5 0.2 . 1 . . . . . . . . 5896 1 280 . 1 1 104 104 PHE N N 15 118.8 0.2 . 1 . . . . . . . . 5896 1 281 . 1 1 105 105 ARG H H 1 7.65 0.02 . 1 . . . . . . . . 5896 1 282 . 1 1 105 105 ARG CA C 13 59.3 0.2 . 1 . . . . . . . . 5896 1 283 . 1 1 105 105 ARG N N 15 116.3 0.2 . 1 . . . . . . . . 5896 1 284 . 1 1 106 106 VAL H H 1 7.34 0.02 . 1 . . . . . . . . 5896 1 285 . 1 1 106 106 VAL CA C 13 66.3 0.2 . 1 . . . . . . . . 5896 1 286 . 1 1 106 106 VAL N N 15 118.6 0.2 . 1 . . . . . . . . 5896 1 287 . 1 1 107 107 PHE H H 1 6.97 0.02 . 1 . . . . . . . . 5896 1 288 . 1 1 107 107 PHE CA C 13 60.5 0.2 . 1 . . . . . . . . 5896 1 289 . 1 1 107 107 PHE N N 15 115.1 0.2 . 1 . . . . . . . . 5896 1 290 . 1 1 108 108 ASP H H 1 7.81 0.02 . 1 . . . . . . . . 5896 1 291 . 1 1 108 108 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 5896 1 292 . 1 1 108 108 ASP N N 15 116.5 0.2 . 1 . . . . . . . . 5896 1 293 . 1 1 109 109 LYS H H 1 7.70 0.02 . 1 . . . . . . . . 5896 1 294 . 1 1 109 109 LYS CA C 13 59.3 0.2 . 1 . . . . . . . . 5896 1 295 . 1 1 109 109 LYS N N 15 125.7 0.2 . 1 . . . . . . . . 5896 1 296 . 1 1 110 110 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5896 1 297 . 1 1 110 110 ASP CA C 13 53.4 0.2 . 1 . . . . . . . . 5896 1 298 . 1 1 110 110 ASP N N 15 114.3 0.2 . 1 . . . . . . . . 5896 1 299 . 1 1 111 111 GLY H H 1 7.71 0.02 . 1 . . . . . . . . 5896 1 300 . 1 1 111 111 GLY CA C 13 47.5 0.2 . 1 . . . . . . . . 5896 1 301 . 1 1 111 111 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5896 1 302 . 1 1 112 112 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5896 1 303 . 1 1 112 112 ASN CA C 13 53.0 0.2 . 1 . . . . . . . . 5896 1 304 . 1 1 112 112 ASN N N 15 119.8 0.2 . 1 . . . . . . . . 5896 1 305 . 1 1 113 113 GLY H H 1 10.53 0.02 . 1 . . . . . . . . 5896 1 306 . 1 1 113 113 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5896 1 307 . 1 1 113 113 GLY N N 15 112.7 0.2 . 1 . . . . . . . . 5896 1 308 . 1 1 114 114 PHE H H 1 7.60 0.02 . 1 . . . . . . . . 5896 1 309 . 1 1 114 114 PHE CA C 13 56.2 0.2 . 1 . . . . . . . . 5896 1 310 . 1 1 114 114 PHE N N 15 116.0 0.2 . 1 . . . . . . . . 5896 1 311 . 1 1 115 115 ILE H H 1 10.18 0.02 . 1 . . . . . . . . 5896 1 312 . 1 1 115 115 ILE CA C 13 61.6 0.2 . 1 . . . . . . . . 5896 1 313 . 1 1 115 115 ILE N N 15 127.6 0.2 . 1 . . . . . . . . 5896 1 314 . 1 1 116 116 SER H H 1 8.90 0.02 . 1 . . . . . . . . 5896 1 315 . 1 1 116 116 SER CA C 13 56.0 0.2 . 1 . . . . . . . . 5896 1 316 . 1 1 116 116 SER N N 15 123.8 0.2 . 1 . . . . . . . . 5896 1 317 . 1 1 117 117 ALA H H 1 9.16 0.02 . 1 . . . . . . . . 5896 1 318 . 1 1 117 117 ALA CA C 13 56.3 0.2 . 1 . . . . . . . . 5896 1 319 . 1 1 117 117 ALA N N 15 123.2 0.2 . 1 . . . . . . . . 5896 1 320 . 1 1 118 118 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 5896 1 321 . 1 1 118 118 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 5896 1 322 . 1 1 118 118 ALA N N 15 118.4 0.2 . 1 . . . . . . . . 5896 1 323 . 1 1 119 119 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 5896 1 324 . 1 1 119 119 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 5896 1 325 . 1 1 119 119 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 5896 1 326 . 1 1 120 120 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 5896 1 327 . 1 1 120 120 LEU CA C 13 58.8 0.2 . 1 . . . . . . . . 5896 1 328 . 1 1 120 120 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5896 1 329 . 1 1 121 121 ARG H H 1 8.54 0.02 . 1 . . . . . . . . 5896 1 330 . 1 1 121 121 ARG CA C 13 60.2 0.2 . 1 . . . . . . . . 5896 1 331 . 1 1 121 121 ARG N N 15 117.7 0.2 . 1 . . . . . . . . 5896 1 332 . 1 1 122 122 HIS H H 1 7.88 0.02 . 1 . . . . . . . . 5896 1 333 . 1 1 122 122 HIS CA C 13 60.5 0.2 . 1 . . . . . . . . 5896 1 334 . 1 1 122 122 HIS N N 15 119.7 0.2 . 1 . . . . . . . . 5896 1 335 . 1 1 123 123 VAL H H 1 7.97 0.02 . 1 . . . . . . . . 5896 1 336 . 1 1 123 123 VAL CA C 13 60.0 0.2 . 1 . . . . . . . . 5896 1 337 . 1 1 123 123 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 5896 1 338 . 1 1 124 124 MET H H 1 8.27 0.02 . 1 . . . . . . . . 5896 1 339 . 1 1 124 124 MET CA C 13 57.7 0.2 . 1 . . . . . . . . 5896 1 340 . 1 1 124 124 MET N N 15 116.3 0.2 . 1 . . . . . . . . 5896 1 341 . 1 1 125 125 THR H H 1 8.15 0.02 . 1 . . . . . . . . 5896 1 342 . 1 1 125 125 THR CA C 13 66.6 0.2 . 1 . . . . . . . . 5896 1 343 . 1 1 125 125 THR N N 15 115.5 0.2 . 1 . . . . . . . . 5896 1 344 . 1 1 126 126 ASN H H 1 7.82 0.02 . 1 . . . . . . . . 5896 1 345 . 1 1 126 126 ASN CA C 13 56.3 0.2 . 1 . . . . . . . . 5896 1 346 . 1 1 126 126 ASN N N 15 122.5 0.2 . 1 . . . . . . . . 5896 1 347 . 1 1 127 127 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5896 1 348 . 1 1 127 127 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 5896 1 349 . 1 1 127 127 LEU N N 15 118.9 0.2 . 1 . . . . . . . . 5896 1 350 . 1 1 128 128 GLY H H 1 7.73 0.02 . 1 . . . . . . . . 5896 1 351 . 1 1 128 128 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5896 1 352 . 1 1 128 128 GLY N N 15 106.9 0.2 . 1 . . . . . . . . 5896 1 353 . 1 1 129 129 GLU H H 1 7.78 0.02 . 1 . . . . . . . . 5896 1 354 . 1 1 129 129 GLU CA C 13 55.4 0.2 . 1 . . . . . . . . 5896 1 355 . 1 1 129 129 GLU N N 15 120.2 0.2 . 1 . . . . . . . . 5896 1 356 . 1 1 130 130 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 5896 1 357 . 1 1 130 130 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 5896 1 358 . 1 1 130 130 LYS N N 15 124.5 0.2 . 1 . . . . . . . . 5896 1 359 . 1 1 131 131 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5896 1 360 . 1 1 131 131 LEU CA C 13 54.5 0.2 . 1 . . . . . . . . 5896 1 361 . 1 1 131 131 LEU N N 15 124.7 0.2 . 1 . . . . . . . . 5896 1 362 . 1 1 132 132 THR H H 1 9.17 0.02 . 1 . . . . . . . . 5896 1 363 . 1 1 132 132 THR CA C 13 61.0 0.2 . 1 . . . . . . . . 5896 1 364 . 1 1 132 132 THR N N 15 114.9 0.2 . 1 . . . . . . . . 5896 1 365 . 1 1 133 133 ASP H H 1 8.81 0.02 . 1 . . . . . . . . 5896 1 366 . 1 1 133 133 ASP CA C 13 58.4 0.2 . 1 . . . . . . . . 5896 1 367 . 1 1 133 133 ASP N N 15 121.2 0.2 . 1 . . . . . . . . 5896 1 368 . 1 1 134 134 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 5896 1 369 . 1 1 134 134 GLU CA C 13 60.4 0.2 . 1 . . . . . . . . 5896 1 370 . 1 1 134 134 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 5896 1 371 . 1 1 135 135 GLU H H 1 7.64 0.02 . 1 . . . . . . . . 5896 1 372 . 1 1 135 135 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 5896 1 373 . 1 1 135 135 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 5896 1 374 . 1 1 136 136 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 5896 1 375 . 1 1 136 136 VAL CA C 13 67.3 0.2 . 1 . . . . . . . . 5896 1 376 . 1 1 136 136 VAL N N 15 120.9 0.2 . 1 . . . . . . . . 5896 1 377 . 1 1 137 137 ASP H H 1 7.90 0.02 . 1 . . . . . . . . 5896 1 378 . 1 1 137 137 ASP CA C 13 58.0 0.2 . 1 . . . . . . . . 5896 1 379 . 1 1 137 137 ASP N N 15 119.4 0.2 . 1 . . . . . . . . 5896 1 380 . 1 1 138 138 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 5896 1 381 . 1 1 138 138 GLU CA C 13 59.6 0.2 . 1 . . . . . . . . 5896 1 382 . 1 1 138 138 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 5896 1 383 . 1 1 139 139 MET H H 1 7.60 0.02 . 1 . . . . . . . . 5896 1 384 . 1 1 139 139 MET CA C 13 59.6 0.2 . 1 . . . . . . . . 5896 1 385 . 1 1 139 139 MET N N 15 120.6 0.2 . 1 . . . . . . . . 5896 1 386 . 1 1 140 140 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 5896 1 387 . 1 1 140 140 ILE CA C 13 63.9 0.2 . 1 . . . . . . . . 5896 1 388 . 1 1 140 140 ILE N N 15 119.1 0.2 . 1 . . . . . . . . 5896 1 389 . 1 1 141 141 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 5896 1 390 . 1 1 141 141 ARG CA C 13 60.2 0.2 . 1 . . . . . . . . 5896 1 391 . 1 1 141 141 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 5896 1 392 . 1 1 142 142 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 5896 1 393 . 1 1 142 142 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 5896 1 394 . 1 1 142 142 GLU N N 15 116.5 0.2 . 1 . . . . . . . . 5896 1 395 . 1 1 143 143 ALA H H 1 7.16 0.02 . 1 . . . . . . . . 5896 1 396 . 1 1 143 143 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 5896 1 397 . 1 1 143 143 ALA N N 15 118.0 0.2 . 1 . . . . . . . . 5896 1 398 . 1 1 144 144 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 5896 1 399 . 1 1 144 144 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 5896 1 400 . 1 1 144 144 ASP N N 15 118.0 0.2 . 1 . . . . . . . . 5896 1 401 . 1 1 145 145 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 5896 1 402 . 1 1 145 145 VAL CA C 13 65.0 0.2 . 1 . . . . . . . . 5896 1 403 . 1 1 145 145 VAL N N 15 127.3 0.2 . 1 . . . . . . . . 5896 1 404 . 1 1 146 146 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 5896 1 405 . 1 1 146 146 ASP CA C 13 54.1 0.2 . 1 . . . . . . . . 5896 1 406 . 1 1 146 146 ASP N N 15 117.1 0.2 . 1 . . . . . . . . 5896 1 407 . 1 1 147 147 GLY H H 1 7.53 0.02 . 1 . . . . . . . . 5896 1 408 . 1 1 147 147 GLY CA C 13 47.8 0.2 . 1 . . . . . . . . 5896 1 409 . 1 1 147 147 GLY N N 15 108.7 0.2 . 1 . . . . . . . . 5896 1 410 . 1 1 148 148 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 5896 1 411 . 1 1 148 148 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 5896 1 412 . 1 1 148 148 ASP N N 15 121.0 0.2 . 1 . . . . . . . . 5896 1 413 . 1 1 149 149 GLY H H 1 10.18 0.02 . 1 . . . . . . . . 5896 1 414 . 1 1 149 149 GLY CA C 13 46.2 0.2 . 1 . . . . . . . . 5896 1 415 . 1 1 149 149 GLY N N 15 112.9 0.2 . 1 . . . . . . . . 5896 1 416 . 1 1 150 150 GLN H H 1 7.86 0.02 . 1 . . . . . . . . 5896 1 417 . 1 1 150 150 GLN CA C 13 53.6 0.2 . 1 . . . . . . . . 5896 1 418 . 1 1 150 150 GLN N N 15 115.2 0.2 . 1 . . . . . . . . 5896 1 419 . 1 1 151 151 VAL H H 1 9.06 0.02 . 1 . . . . . . . . 5896 1 420 . 1 1 151 151 VAL CA C 13 62.2 0.2 . 1 . . . . . . . . 5896 1 421 . 1 1 151 151 VAL N N 15 125.7 0.2 . 1 . . . . . . . . 5896 1 422 . 1 1 152 152 ASN H H 1 9.48 0.02 . 1 . . . . . . . . 5896 1 423 . 1 1 152 152 ASN CA C 13 51.6 0.2 . 1 . . . . . . . . 5896 1 424 . 1 1 152 152 ASN N N 15 129.4 0.2 . 1 . . . . . . . . 5896 1 425 . 1 1 153 153 TYR H H 1 8.32 0.02 . 1 . . . . . . . . 5896 1 426 . 1 1 153 153 TYR CA C 13 62.8 0.2 . 1 . . . . . . . . 5896 1 427 . 1 1 153 153 TYR N N 15 118.8 0.2 . 1 . . . . . . . . 5896 1 428 . 1 1 154 154 GLU H H 1 7.93 0.02 . 1 . . . . . . . . 5896 1 429 . 1 1 154 154 GLU CA C 13 60.7 0.2 . 1 . . . . . . . . 5896 1 430 . 1 1 154 154 GLU N N 15 118.7 0.2 . 1 . . . . . . . . 5896 1 431 . 1 1 155 155 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 5896 1 432 . 1 1 155 155 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 5896 1 433 . 1 1 155 155 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 5896 1 434 . 1 1 156 156 PHE H H 1 8.50 0.02 . 1 . . . . . . . . 5896 1 435 . 1 1 156 156 PHE CA C 13 60.9 0.2 . 1 . . . . . . . . 5896 1 436 . 1 1 156 156 PHE N N 15 123.3 0.2 . 1 . . . . . . . . 5896 1 437 . 1 1 157 157 VAL H H 1 8.33 0.02 . 1 . . . . . . . . 5896 1 438 . 1 1 157 157 VAL CA C 13 67.4 0.2 . 1 . . . . . . . . 5896 1 439 . 1 1 157 157 VAL N N 15 118.5 0.2 . 1 . . . . . . . . 5896 1 440 . 1 1 158 158 GLN H H 1 7.20 0.02 . 1 . . . . . . . . 5896 1 441 . 1 1 158 158 GLN CA C 13 59.1 0.2 . 1 . . . . . . . . 5896 1 442 . 1 1 158 158 GLN N N 15 114.9 0.2 . 1 . . . . . . . . 5896 1 443 . 1 1 159 159 VAL H H 1 7.26 0.02 . 1 . . . . . . . . 5896 1 444 . 1 1 159 159 VAL CA C 13 64.6 0.2 . 1 . . . . . . . . 5896 1 445 . 1 1 159 159 VAL N N 15 115.6 0.2 . 1 . . . . . . . . 5896 1 446 . 1 1 160 160 MET H H 1 7.39 0.02 . 1 . . . . . . . . 5896 1 447 . 1 1 160 160 MET CA C 13 56.0 0.2 . 1 . . . . . . . . 5896 1 448 . 1 1 160 160 MET N N 15 118.9 0.2 . 1 . . . . . . . . 5896 1 449 . 1 1 161 161 MET H H 1 7.60 0.02 . 1 . . . . . . . . 5896 1 450 . 1 1 161 161 MET CA C 13 55.7 0.2 . 1 . . . . . . . . 5896 1 451 . 1 1 161 161 MET N N 15 117.0 0.2 . 1 . . . . . . . . 5896 1 452 . 1 1 162 162 ALA H H 1 7.44 0.02 . 1 . . . . . . . . 5896 1 453 . 1 1 162 162 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 5896 1 454 . 1 1 162 162 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 5896 1 455 . 1 1 163 163 LYS H H 1 7.66 0.02 . 1 . . . . . . . . 5896 1 456 . 1 1 163 163 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 5896 1 457 . 1 1 163 163 LYS N N 15 125.8 0.2 . 1 . . . . . . . . 5896 1 stop_ save_