data_30071 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30071 _Entry.Title ; Calcium-loaded EF-hand domain of L-plastin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-02 _Entry.Accession_date 2016-05-02 _Entry.Last_release_date 2016-05-24 _Entry.Original_release_date 2016-05-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hiroaki Ishida H. . . . 30071 2 K. Jensen K. V. . . 30071 3 G. Woodman G. W. . . 30071 4 Eric Hyndman E. M. . . 30071 5 Hans Vogel H. J. . . 30071 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Calcium-binding . 30071 EF-hand . 30071 L-plastin . 30071 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30071 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 30071 '15N chemical shifts' 95 30071 '1H chemical shifts' 94 30071 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 . . 2017-04-13 . original BMRB . 30071 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30072 'Calcium-free EF-hand domain of L-plastin' 30071 PDB 5JOJ 'BMRB Entry Tracking System' 30071 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30071 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28145401 _Citation.Full_citation . _Citation.Title ; The Calcium-Dependent Switch Helix of L-Plastin Regulates Actin Bundling. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD 0353 _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 40662 _Citation.Page_last 40662 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hiroaki Ishida H. . . . 30071 1 2 Katharine Jensen K. V. . . 30071 1 3 Andrew Woodman A. G. . . 30071 1 4 'M. Eric' Hyndman M. E. . . 30071 1 5 Hans Vogel H. J. . . 30071 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30071 _Assembly.ID 1 _Assembly.Name Plastin-2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30071 1 2 'CALCIUM ION' 2 $entity_CA B A no . . . . . . 30071 1 3 'CALCIUM ION' 2 $entity_CA C A no . . . . . . 30071 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30071 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Plastin-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MARGSVSDEEMMELREAFAK VDTDGNGYISFNELNDLFKA ACLPLPGYRVREITENLMAT GDLDQDGRISFDEFIKIFHG LKSTDVAKTFRKAINKK ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'EF-hand domain (UNP residue 1-97)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10968.452 _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 L-plastin na 30071 1 LC64P na 30071 1 LCP-1 na 30071 1 'Lymphocyte cytosolic protein 1' na 30071 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 1 MET . 30071 1 2 2 ALA . 30071 1 3 3 ARG . 30071 1 4 4 GLY . 30071 1 5 5 SER . 30071 1 6 6 VAL . 30071 1 7 7 SER . 30071 1 8 8 ASP . 30071 1 9 9 GLU . 30071 1 10 10 GLU . 30071 1 11 11 MET . 30071 1 12 12 MET . 30071 1 13 13 GLU . 30071 1 14 14 LEU . 30071 1 15 15 ARG . 30071 1 16 16 GLU . 30071 1 17 17 ALA . 30071 1 18 18 PHE . 30071 1 19 19 ALA . 30071 1 20 20 LYS . 30071 1 21 21 VAL . 30071 1 22 22 ASP . 30071 1 23 23 THR . 30071 1 24 24 ASP . 30071 1 25 25 GLY . 30071 1 26 26 ASN . 30071 1 27 27 GLY . 30071 1 28 28 TYR . 30071 1 29 29 ILE . 30071 1 30 30 SER . 30071 1 31 31 PHE . 30071 1 32 32 ASN . 30071 1 33 33 GLU . 30071 1 34 34 LEU . 30071 1 35 35 ASN . 30071 1 36 36 ASP . 30071 1 37 37 LEU . 30071 1 38 38 PHE . 30071 1 39 39 LYS . 30071 1 40 40 ALA . 30071 1 41 41 ALA . 30071 1 42 42 CYS . 30071 1 43 43 LEU . 30071 1 44 44 PRO . 30071 1 45 45 LEU . 30071 1 46 46 PRO . 30071 1 47 47 GLY . 30071 1 48 48 TYR . 30071 1 49 49 ARG . 30071 1 50 50 VAL . 30071 1 51 51 ARG . 30071 1 52 52 GLU . 30071 1 53 53 ILE . 30071 1 54 54 THR . 30071 1 55 55 GLU . 30071 1 56 56 ASN . 30071 1 57 57 LEU . 30071 1 58 58 MET . 30071 1 59 59 ALA . 30071 1 60 60 THR . 30071 1 61 61 GLY . 30071 1 62 62 ASP . 30071 1 63 63 LEU . 30071 1 64 64 ASP . 30071 1 65 65 GLN . 30071 1 66 66 ASP . 30071 1 67 67 GLY . 30071 1 68 68 ARG . 30071 1 69 69 ILE . 30071 1 70 70 SER . 30071 1 71 71 PHE . 30071 1 72 72 ASP . 30071 1 73 73 GLU . 30071 1 74 74 PHE . 30071 1 75 75 ILE . 30071 1 76 76 LYS . 30071 1 77 77 ILE . 30071 1 78 78 PHE . 30071 1 79 79 HIS . 30071 1 80 80 GLY . 30071 1 81 81 LEU . 30071 1 82 82 LYS . 30071 1 83 83 SER . 30071 1 84 84 THR . 30071 1 85 85 ASP . 30071 1 86 86 VAL . 30071 1 87 87 ALA . 30071 1 88 88 LYS . 30071 1 89 89 THR . 30071 1 90 90 PHE . 30071 1 91 91 ARG . 30071 1 92 92 LYS . 30071 1 93 93 ALA . 30071 1 94 94 ILE . 30071 1 95 95 ASN . 30071 1 96 96 LYS . 30071 1 97 97 LYS . 30071 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 30071 1 . ALA 2 2 30071 1 . ARG 3 3 30071 1 . GLY 4 4 30071 1 . SER 5 5 30071 1 . VAL 6 6 30071 1 . SER 7 7 30071 1 . ASP 8 8 30071 1 . GLU 9 9 30071 1 . GLU 10 10 30071 1 . MET 11 11 30071 1 . MET 12 12 30071 1 . GLU 13 13 30071 1 . LEU 14 14 30071 1 . ARG 15 15 30071 1 . GLU 16 16 30071 1 . ALA 17 17 30071 1 . PHE 18 18 30071 1 . ALA 19 19 30071 1 . LYS 20 20 30071 1 . VAL 21 21 30071 1 . ASP 22 22 30071 1 . THR 23 23 30071 1 . ASP 24 24 30071 1 . GLY 25 25 30071 1 . ASN 26 26 30071 1 . GLY 27 27 30071 1 . TYR 28 28 30071 1 . ILE 29 29 30071 1 . SER 30 30 30071 1 . PHE 31 31 30071 1 . ASN 32 32 30071 1 . GLU 33 33 30071 1 . LEU 34 34 30071 1 . ASN 35 35 30071 1 . ASP 36 36 30071 1 . LEU 37 37 30071 1 . PHE 38 38 30071 1 . LYS 39 39 30071 1 . ALA 40 40 30071 1 . ALA 41 41 30071 1 . CYS 42 42 30071 1 . LEU 43 43 30071 1 . PRO 44 44 30071 1 . LEU 45 45 30071 1 . PRO 46 46 30071 1 . GLY 47 47 30071 1 . TYR 48 48 30071 1 . ARG 49 49 30071 1 . VAL 50 50 30071 1 . ARG 51 51 30071 1 . GLU 52 52 30071 1 . ILE 53 53 30071 1 . THR 54 54 30071 1 . GLU 55 55 30071 1 . ASN 56 56 30071 1 . LEU 57 57 30071 1 . MET 58 58 30071 1 . ALA 59 59 30071 1 . THR 60 60 30071 1 . GLY 61 61 30071 1 . ASP 62 62 30071 1 . LEU 63 63 30071 1 . ASP 64 64 30071 1 . GLN 65 65 30071 1 . ASP 66 66 30071 1 . GLY 67 67 30071 1 . ARG 68 68 30071 1 . ILE 69 69 30071 1 . SER 70 70 30071 1 . PHE 71 71 30071 1 . ASP 72 72 30071 1 . GLU 73 73 30071 1 . PHE 74 74 30071 1 . ILE 75 75 30071 1 . LYS 76 76 30071 1 . ILE 77 77 30071 1 . PHE 78 78 30071 1 . HIS 79 79 30071 1 . GLY 80 80 30071 1 . LEU 81 81 30071 1 . LYS 82 82 30071 1 . SER 83 83 30071 1 . THR 84 84 30071 1 . ASP 85 85 30071 1 . VAL 86 86 30071 1 . ALA 87 87 30071 1 . LYS 88 88 30071 1 . THR 89 89 30071 1 . PHE 90 90 30071 1 . ARG 91 91 30071 1 . LYS 92 92 30071 1 . ALA 93 93 30071 1 . ILE 94 94 30071 1 . ASN 95 95 30071 1 . LYS 96 96 30071 1 . LYS 97 97 30071 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30071 _Entity.ID 2 _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 30071 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 30071 2 CA 'Three letter code' 30071 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 30071 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 30071 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'LCP1, PLS2' . 30071 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 30071 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30071 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 30071 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 30071 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30071 CA [Ca++] SMILES CACTVS 3.341 30071 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30071 CA [Ca+2] SMILES ACDLabs 10.04 30071 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30071 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30071 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 30071 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30071 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 . 30071 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30071 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-98% 15N] EF-hand domain of L-plastin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EF-hand domain of L-plastin' '[U-98% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30071 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30071 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30071 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30071 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-98% 15N] EF-hand domain of L-plastin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EF-hand domain of L-plastin' '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30071 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30071 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30071 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30071 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-98% 15N] EF-hand domain of L-plastin, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EF-hand domain of L-plastin' '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30071 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30071 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30071 _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 'ionic strength' 100 . mM 30071 1 pH 6.8 . pH 30071 1 pressure 1 . atm 30071 1 temperature 298 . K 30071 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30071 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30071 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30071 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30071 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30071 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30071 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30071 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30071 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30071 _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 Bruker Avance . 700 . . . 30071 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 30071 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 30071 _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 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30071 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30071 1 3 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30071 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30071 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30071 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30071 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30071 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30071 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30071 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30071 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30071 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30071 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30071 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 30071 1 2 '3D CBCA(CO)NH' . . . 30071 1 3 '3D HN(CA)CO' . . . 30071 1 4 '3D HNCO' . . . 30071 1 5 '3D HNCA' . . . 30071 1 7 '3D HN(CO)CA' . . . 30071 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30071 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 1 1 MET C C 13 175.683 . . . . . . A 1 MET C . 30071 1 2 . 1 1 1 1 MET CA C 13 55.243 . . . . . . A 1 MET CA . 30071 1 3 . 1 1 1 1 MET CB C 13 32.773 . . . . . . A 1 MET CB . 30071 1 4 . 1 1 1 1 MET N N 15 121.911 . . . . . . A 1 MET N . 30071 1 5 . 1 1 2 2 ALA H H 1 8.393 . . . . . . A 2 ALA H . 30071 1 6 . 1 1 2 2 ALA C C 13 177.720 . . . . . . A 2 ALA C . 30071 1 7 . 1 1 2 2 ALA CA C 13 52.565 . . . . . . A 2 ALA CA . 30071 1 8 . 1 1 2 2 ALA CB C 13 19.120 . . . . . . A 2 ALA CB . 30071 1 9 . 1 1 2 2 ALA N N 15 125.648 . . . . . . A 2 ALA N . 30071 1 10 . 1 1 3 3 ARG H H 1 8.409 . . . . . . A 3 ARG H . 30071 1 11 . 1 1 3 3 ARG C C 13 176.874 . . . . . . A 3 ARG C . 30071 1 12 . 1 1 3 3 ARG CA C 13 56.370 . . . . . . A 3 ARG CA . 30071 1 13 . 1 1 3 3 ARG CB C 13 30.666 . . . . . . A 3 ARG CB . 30071 1 14 . 1 1 3 3 ARG N N 15 120.663 . . . . . . A 3 ARG N . 30071 1 15 . 1 1 4 4 GLY H H 1 8.511 . . . . . . A 4 GLY H . 30071 1 16 . 1 1 4 4 GLY C C 13 174.086 . . . . . . A 4 GLY C . 30071 1 17 . 1 1 4 4 GLY CA C 13 45.285 . . . . . . A 4 GLY CA . 30071 1 18 . 1 1 4 4 GLY N N 15 110.307 . . . . . . A 4 GLY N . 30071 1 19 . 1 1 5 5 SER H H 1 8.222 . . . . . . A 5 SER H . 30071 1 20 . 1 1 5 5 SER C C 13 173.990 . . . . . . A 5 SER C . 30071 1 21 . 1 1 5 5 SER CA C 13 58.401 . . . . . . A 5 SER CA . 30071 1 22 . 1 1 5 5 SER CB C 13 64.024 . . . . . . A 5 SER CB . 30071 1 23 . 1 1 5 5 SER N N 15 115.737 . . . . . . A 5 SER N . 30071 1 24 . 1 1 6 6 VAL H H 1 8.035 . . . . . . A 6 VAL H . 30071 1 25 . 1 1 6 6 VAL C C 13 176.018 . . . . . . A 6 VAL C . 30071 1 26 . 1 1 6 6 VAL CA C 13 61.669 . . . . . . A 6 VAL CA . 30071 1 27 . 1 1 6 6 VAL CB C 13 32.947 . . . . . . A 6 VAL CB . 30071 1 28 . 1 1 6 6 VAL N N 15 121.518 . . . . . . A 6 VAL N . 30071 1 29 . 1 1 7 7 SER H H 1 8.974 . . . . . . A 7 SER H . 30071 1 30 . 1 1 7 7 SER C C 13 174.627 . . . . . . A 7 SER C . 30071 1 31 . 1 1 7 7 SER CA C 13 57.455 . . . . . . A 7 SER CA . 30071 1 32 . 1 1 7 7 SER CB C 13 65.200 . . . . . . A 7 SER CB . 30071 1 33 . 1 1 7 7 SER N N 15 123.144 . . . . . . A 7 SER N . 30071 1 34 . 1 1 8 8 ASP H H 1 8.943 . . . . . . A 8 ASP H . 30071 1 35 . 1 1 8 8 ASP C C 13 178.822 . . . . . . A 8 ASP C . 30071 1 36 . 1 1 8 8 ASP CA C 13 57.535 . . . . . . A 8 ASP CA . 30071 1 37 . 1 1 8 8 ASP CB C 13 40.074 . . . . . . A 8 ASP CB . 30071 1 38 . 1 1 8 8 ASP N N 15 121.970 . . . . . . A 8 ASP N . 30071 1 39 . 1 1 9 9 GLU H H 1 8.869 . . . . . . A 9 GLU H . 30071 1 40 . 1 1 9 9 GLU C C 13 179.213 . . . . . . A 9 GLU C . 30071 1 41 . 1 1 9 9 GLU CA C 13 60.184 . . . . . . A 9 GLU CA . 30071 1 42 . 1 1 9 9 GLU CB C 13 29.154 . . . . . . A 9 GLU CB . 30071 1 43 . 1 1 9 9 GLU N N 15 120.313 . . . . . . A 9 GLU N . 30071 1 44 . 1 1 10 10 GLU H H 1 8.026 . . . . . . A 10 GLU H . 30071 1 45 . 1 1 10 10 GLU C C 13 179.081 . . . . . . A 10 GLU C . 30071 1 46 . 1 1 10 10 GLU CA C 13 59.011 . . . . . . A 10 GLU CA . 30071 1 47 . 1 1 10 10 GLU CB C 13 29.614 . . . . . . A 10 GLU CB . 30071 1 48 . 1 1 10 10 GLU N N 15 121.837 . . . . . . A 10 GLU N . 30071 1 49 . 1 1 11 11 MET H H 1 8.646 . . . . . . A 11 MET H . 30071 1 50 . 1 1 11 11 MET C C 13 178.477 . . . . . . A 11 MET C . 30071 1 51 . 1 1 11 11 MET CA C 13 57.478 . . . . . . A 11 MET CA . 30071 1 52 . 1 1 11 11 MET CB C 13 30.755 . . . . . . A 11 MET CB . 30071 1 53 . 1 1 11 11 MET N N 15 119.447 . . . . . . A 11 MET N . 30071 1 54 . 1 1 12 12 MET H H 1 7.991 . . . . . . A 12 MET H . 30071 1 55 . 1 1 12 12 MET C C 13 178.839 . . . . . . A 12 MET C . 30071 1 56 . 1 1 12 12 MET CA C 13 58.936 . . . . . . A 12 MET CA . 30071 1 57 . 1 1 12 12 MET CB C 13 31.924 . . . . . . A 12 MET CB . 30071 1 58 . 1 1 12 12 MET N N 15 118.538 . . . . . . A 12 MET N . 30071 1 59 . 1 1 13 13 GLU H H 1 7.765 . . . . . . A 13 GLU H . 30071 1 60 . 1 1 13 13 GLU C C 13 179.982 . . . . . . A 13 GLU C . 30071 1 61 . 1 1 13 13 GLU CA C 13 59.559 . . . . . . A 13 GLU CA . 30071 1 62 . 1 1 13 13 GLU CB C 13 29.365 . . . . . . A 13 GLU CB . 30071 1 63 . 1 1 13 13 GLU N N 15 120.250 . . . . . . A 13 GLU N . 30071 1 64 . 1 1 14 14 LEU H H 1 8.661 . . . . . . A 14 LEU H . 30071 1 65 . 1 1 14 14 LEU C C 13 179.355 . . . . . . A 14 LEU C . 30071 1 66 . 1 1 14 14 LEU CA C 13 58.342 . . . . . . A 14 LEU CA . 30071 1 67 . 1 1 14 14 LEU CB C 13 41.949 . . . . . . A 14 LEU CB . 30071 1 68 . 1 1 14 14 LEU N N 15 121.199 . . . . . . A 14 LEU N . 30071 1 69 . 1 1 15 15 ARG H H 1 8.731 . . . . . . A 15 ARG H . 30071 1 70 . 1 1 15 15 ARG C C 13 179.391 . . . . . . A 15 ARG C . 30071 1 71 . 1 1 15 15 ARG CA C 13 59.923 . . . . . . A 15 ARG CA . 30071 1 72 . 1 1 15 15 ARG CB C 13 29.787 . . . . . . A 15 ARG CB . 30071 1 73 . 1 1 15 15 ARG N N 15 120.426 . . . . . . A 15 ARG N . 30071 1 74 . 1 1 16 16 GLU H H 1 7.889 . . . . . . A 16 GLU H . 30071 1 75 . 1 1 16 16 GLU C C 13 178.803 . . . . . . A 16 GLU C . 30071 1 76 . 1 1 16 16 GLU CA C 13 56.313 . . . . . . A 16 GLU CA . 30071 1 77 . 1 1 16 16 GLU CB C 13 29.496 . . . . . . A 16 GLU CB . 30071 1 78 . 1 1 16 16 GLU N N 15 120.051 . . . . . . A 16 GLU N . 30071 1 79 . 1 1 17 17 ALA H H 1 8.219 . . . . . . A 17 ALA H . 30071 1 80 . 1 1 17 17 ALA C C 13 178.461 . . . . . . A 17 ALA C . 30071 1 81 . 1 1 17 17 ALA CA C 13 55.009 . . . . . . A 17 ALA CA . 30071 1 82 . 1 1 17 17 ALA CB C 13 18.401 . . . . . . A 17 ALA CB . 30071 1 83 . 1 1 17 17 ALA N N 15 122.350 . . . . . . A 17 ALA N . 30071 1 84 . 1 1 18 18 PHE H H 1 8.543 . . . . . . A 18 PHE H . 30071 1 85 . 1 1 18 18 PHE C C 13 177.733 . . . . . . A 18 PHE C . 30071 1 86 . 1 1 18 18 PHE CA C 13 61.893 . . . . . . A 18 PHE CA . 30071 1 87 . 1 1 18 18 PHE CB C 13 39.723 . . . . . . A 18 PHE CB . 30071 1 88 . 1 1 18 18 PHE N N 15 118.002 . . . . . . A 18 PHE N . 30071 1 89 . 1 1 19 19 ALA H H 1 7.793 . . . . . . A 19 ALA H . 30071 1 90 . 1 1 19 19 ALA C C 13 178.788 . . . . . . A 19 ALA C . 30071 1 91 . 1 1 19 19 ALA CA C 13 54.285 . . . . . . A 19 ALA CA . 30071 1 92 . 1 1 19 19 ALA CB C 13 18.144 . . . . . . A 19 ALA CB . 30071 1 93 . 1 1 19 19 ALA N N 15 118.786 . . . . . . A 19 ALA N . 30071 1 94 . 1 1 20 20 LYS H H 1 7.310 . . . . . . A 20 LYS H . 30071 1 95 . 1 1 20 20 LYS C C 13 176.741 . . . . . . A 20 LYS C . 30071 1 96 . 1 1 20 20 LYS CA C 13 58.541 . . . . . . A 20 LYS CA . 30071 1 97 . 1 1 20 20 LYS CB C 13 32.653 . . . . . . A 20 LYS CB . 30071 1 98 . 1 1 20 20 LYS N N 15 114.986 . . . . . . A 20 LYS N . 30071 1 99 . 1 1 21 21 VAL H H 1 7.178 . . . . . . A 21 VAL H . 30071 1 100 . 1 1 21 21 VAL C C 13 177.052 . . . . . . A 21 VAL C . 30071 1 101 . 1 1 21 21 VAL CA C 13 62.915 . . . . . . A 21 VAL CA . 30071 1 102 . 1 1 21 21 VAL CB C 13 32.555 . . . . . . A 21 VAL CB . 30071 1 103 . 1 1 21 21 VAL N N 15 116.134 . . . . . . A 21 VAL N . 30071 1 104 . 1 1 22 22 ASP H H 1 7.795 . . . . . . A 22 ASP H . 30071 1 105 . 1 1 22 22 ASP C C 13 177.048 . . . . . . A 22 ASP C . 30071 1 106 . 1 1 22 22 ASP CA C 13 52.547 . . . . . . A 22 ASP CA . 30071 1 107 . 1 1 22 22 ASP CB C 13 39.289 . . . . . . A 22 ASP CB . 30071 1 108 . 1 1 22 22 ASP N N 15 118.981 . . . . . . A 22 ASP N . 30071 1 109 . 1 1 23 23 THR H H 1 8.130 . . . . . . A 23 THR H . 30071 1 110 . 1 1 23 23 THR C C 13 176.968 . . . . . . A 23 THR C . 30071 1 111 . 1 1 23 23 THR CA C 13 65.170 . . . . . . A 23 THR CA . 30071 1 112 . 1 1 23 23 THR CB C 13 68.728 . . . . . . A 23 THR CB . 30071 1 113 . 1 1 23 23 THR N N 15 118.955 . . . . . . A 23 THR N . 30071 1 114 . 1 1 24 24 ASP H H 1 8.183 . . . . . . A 24 ASP H . 30071 1 115 . 1 1 24 24 ASP C C 13 177.821 . . . . . . A 24 ASP C . 30071 1 116 . 1 1 24 24 ASP CA C 13 53.190 . . . . . . A 24 ASP CA . 30071 1 117 . 1 1 24 24 ASP CB C 13 39.421 . . . . . . A 24 ASP CB . 30071 1 118 . 1 1 24 24 ASP N N 15 117.589 . . . . . . A 24 ASP N . 30071 1 119 . 1 1 25 25 GLY H H 1 7.760 . . . . . . A 25 GLY H . 30071 1 120 . 1 1 25 25 GLY C C 13 175.137 . . . . . . A 25 GLY C . 30071 1 121 . 1 1 25 25 GLY CA C 13 47.044 . . . . . . A 25 GLY CA . 30071 1 122 . 1 1 25 25 GLY N N 15 109.148 . . . . . . A 25 GLY N . 30071 1 123 . 1 1 26 26 ASN H H 1 8.400 . . . . . . A 26 ASN H . 30071 1 124 . 1 1 26 26 ASN C C 13 176.282 . . . . . . A 26 ASN C . 30071 1 125 . 1 1 26 26 ASN CA C 13 52.556 . . . . . . A 26 ASN CA . 30071 1 126 . 1 1 26 26 ASN CB C 13 37.977 . . . . . . A 26 ASN CB . 30071 1 127 . 1 1 26 26 ASN N N 15 119.431 . . . . . . A 26 ASN N . 30071 1 128 . 1 1 27 27 GLY H H 1 10.403 . . . . . . A 27 GLY H . 30071 1 129 . 1 1 27 27 GLY C C 13 172.223 . . . . . . A 27 GLY C . 30071 1 130 . 1 1 27 27 GLY CA C 13 45.248 . . . . . . A 27 GLY CA . 30071 1 131 . 1 1 27 27 GLY N N 15 112.441 . . . . . . A 27 GLY N . 30071 1 132 . 1 1 28 28 TYR H H 1 7.701 . . . . . . A 28 TYR H . 30071 1 133 . 1 1 28 28 TYR C C 13 174.813 . . . . . . A 28 TYR C . 30071 1 134 . 1 1 28 28 TYR CA C 13 56.398 . . . . . . A 28 TYR CA . 30071 1 135 . 1 1 28 28 TYR CB C 13 43.546 . . . . . . A 28 TYR CB . 30071 1 136 . 1 1 28 28 TYR N N 15 115.014 . . . . . . A 28 TYR N . 30071 1 137 . 1 1 29 29 ILE H H 1 10.119 . . . . . . A 29 ILE H . 30071 1 138 . 1 1 29 29 ILE C C 13 175.597 . . . . . . A 29 ILE C . 30071 1 139 . 1 1 29 29 ILE CA C 13 60.760 . . . . . . A 29 ILE CA . 30071 1 140 . 1 1 29 29 ILE CB C 13 39.345 . . . . . . A 29 ILE CB . 30071 1 141 . 1 1 29 29 ILE N N 15 127.057 . . . . . . A 29 ILE N . 30071 1 142 . 1 1 30 30 SER H H 1 9.342 . . . . . . A 30 SER H . 30071 1 143 . 1 1 30 30 SER C C 13 175.005 . . . . . . A 30 SER C . 30071 1 144 . 1 1 30 30 SER CA C 13 55.984 . . . . . . A 30 SER CA . 30071 1 145 . 1 1 30 30 SER CB C 13 66.302 . . . . . . A 30 SER CB . 30071 1 146 . 1 1 30 30 SER N N 15 124.594 . . . . . . A 30 SER N . 30071 1 147 . 1 1 31 31 PHE H H 1 9.545 . . . . . . A 31 PHE H . 30071 1 148 . 1 1 31 31 PHE C C 13 177.841 . . . . . . A 31 PHE C . 30071 1 149 . 1 1 31 31 PHE CA C 13 62.548 . . . . . . A 31 PHE CA . 30071 1 150 . 1 1 31 31 PHE CB C 13 39.032 . . . . . . A 31 PHE CB . 30071 1 151 . 1 1 31 31 PHE N N 15 122.274 . . . . . . A 31 PHE N . 30071 1 152 . 1 1 32 32 ASN H H 1 8.821 . . . . . . A 32 ASN H . 30071 1 153 . 1 1 32 32 ASN C C 13 177.402 . . . . . . A 32 ASN C . 30071 1 154 . 1 1 32 32 ASN CA C 13 56.578 . . . . . . A 32 ASN CA . 30071 1 155 . 1 1 32 32 ASN CB C 13 37.424 . . . . . . A 32 ASN CB . 30071 1 156 . 1 1 32 32 ASN N N 15 116.163 . . . . . . A 32 ASN N . 30071 1 157 . 1 1 33 33 GLU H H 1 7.738 . . . . . . A 33 GLU H . 30071 1 158 . 1 1 33 33 GLU C C 13 180.733 . . . . . . A 33 GLU C . 30071 1 159 . 1 1 33 33 GLU CA C 13 56.433 . . . . . . A 33 GLU CA . 30071 1 160 . 1 1 33 33 GLU CB C 13 29.204 . . . . . . A 33 GLU CB . 30071 1 161 . 1 1 33 33 GLU N N 15 120.221 . . . . . . A 33 GLU N . 30071 1 162 . 1 1 34 34 LEU H H 1 8.186 . . . . . . A 34 LEU H . 30071 1 163 . 1 1 34 34 LEU C C 13 177.721 . . . . . . A 34 LEU C . 30071 1 164 . 1 1 34 34 LEU CA C 13 57.804 . . . . . . A 34 LEU CA . 30071 1 165 . 1 1 34 34 LEU CB C 13 42.193 . . . . . . A 34 LEU CB . 30071 1 166 . 1 1 34 34 LEU N N 15 122.463 . . . . . . A 34 LEU N . 30071 1 167 . 1 1 35 35 ASN H H 1 8.390 . . . . . . A 35 ASN H . 30071 1 168 . 1 1 35 35 ASN C C 13 178.250 . . . . . . A 35 ASN C . 30071 1 169 . 1 1 35 35 ASN CA C 13 56.966 . . . . . . A 35 ASN CA . 30071 1 170 . 1 1 35 35 ASN CB C 13 33.146 . . . . . . A 35 ASN CB . 30071 1 171 . 1 1 35 35 ASN N N 15 117.699 . . . . . . A 35 ASN N . 30071 1 172 . 1 1 36 36 ASP H H 1 8.732 . . . . . . A 36 ASP H . 30071 1 173 . 1 1 36 36 ASP C C 13 178.833 . . . . . . A 36 ASP C . 30071 1 174 . 1 1 36 36 ASP CA C 13 57.514 . . . . . . A 36 ASP CA . 30071 1 175 . 1 1 36 36 ASP CB C 13 40.083 . . . . . . A 36 ASP CB . 30071 1 176 . 1 1 36 36 ASP N N 15 120.222 . . . . . . A 36 ASP N . 30071 1 177 . 1 1 37 37 LEU H H 1 7.659 . . . . . . A 37 LEU H . 30071 1 178 . 1 1 37 37 LEU C C 13 179.072 . . . . . . A 37 LEU C . 30071 1 179 . 1 1 37 37 LEU CA C 13 57.857 . . . . . . A 37 LEU CA . 30071 1 180 . 1 1 37 37 LEU CB C 13 41.174 . . . . . . A 37 LEU CB . 30071 1 181 . 1 1 37 37 LEU N N 15 122.105 . . . . . . A 37 LEU N . 30071 1 182 . 1 1 38 38 PHE H H 1 7.845 . . . . . . A 38 PHE H . 30071 1 183 . 1 1 38 38 PHE C C 13 178.970 . . . . . . A 38 PHE C . 30071 1 184 . 1 1 38 38 PHE CA C 13 62.923 . . . . . . A 38 PHE CA . 30071 1 185 . 1 1 38 38 PHE CB C 13 38.968 . . . . . . A 38 PHE CB . 30071 1 186 . 1 1 38 38 PHE N N 15 116.297 . . . . . . A 38 PHE N . 30071 1 187 . 1 1 39 39 LYS H H 1 8.570 . . . . . . A 39 LYS H . 30071 1 188 . 1 1 39 39 LYS C C 13 178.968 . . . . . . A 39 LYS C . 30071 1 189 . 1 1 39 39 LYS CA C 13 59.752 . . . . . . A 39 LYS CA . 30071 1 190 . 1 1 39 39 LYS CB C 13 32.386 . . . . . . A 39 LYS CB . 30071 1 191 . 1 1 39 39 LYS N N 15 121.570 . . . . . . A 39 LYS N . 30071 1 192 . 1 1 40 40 ALA H H 1 7.867 . . . . . . A 40 ALA H . 30071 1 193 . 1 1 40 40 ALA C C 13 178.879 . . . . . . A 40 ALA C . 30071 1 194 . 1 1 40 40 ALA CA C 13 53.789 . . . . . . A 40 ALA CA . 30071 1 195 . 1 1 40 40 ALA CB C 13 18.392 . . . . . . A 40 ALA CB . 30071 1 196 . 1 1 40 40 ALA N N 15 120.405 . . . . . . A 40 ALA N . 30071 1 197 . 1 1 41 41 ALA H H 1 7.794 . . . . . . A 41 ALA H . 30071 1 198 . 1 1 41 41 ALA C C 13 176.691 . . . . . . A 41 ALA C . 30071 1 199 . 1 1 41 41 ALA CA C 13 53.775 . . . . . . A 41 ALA CA . 30071 1 200 . 1 1 41 41 ALA CB C 13 19.119 . . . . . . A 41 ALA CB . 30071 1 201 . 1 1 41 41 ALA N N 15 118.970 . . . . . . A 41 ALA N . 30071 1 202 . 1 1 42 42 CYS H H 1 7.788 . . . . . . A 42 CYS H . 30071 1 203 . 1 1 42 42 CYS C C 13 175.097 . . . . . . A 42 CYS C . 30071 1 204 . 1 1 42 42 CYS CA C 13 59.714 . . . . . . A 42 CYS CA . 30071 1 205 . 1 1 42 42 CYS CB C 13 25.548 . . . . . . A 42 CYS CB . 30071 1 206 . 1 1 42 42 CYS N N 15 112.190 . . . . . . A 42 CYS N . 30071 1 207 . 1 1 43 43 LEU H H 1 9.095 . . . . . . A 43 LEU H . 30071 1 208 . 1 1 43 43 LEU C C 13 177.293 . . . . . . A 43 LEU C . 30071 1 209 . 1 1 43 43 LEU CA C 13 53.534 . . . . . . A 43 LEU CA . 30071 1 210 . 1 1 43 43 LEU CB C 13 40.568 . . . . . . A 43 LEU CB . 30071 1 211 . 1 1 43 43 LEU N N 15 120.825 . . . . . . A 43 LEU N . 30071 1 212 . 1 1 44 44 PRO C C 13 175.104 . . . . . . A 44 PRO C . 30071 1 213 . 1 1 44 44 PRO CA C 13 62.576 . . . . . . A 44 PRO CA . 30071 1 214 . 1 1 44 44 PRO CB C 13 28.147 . . . . . . A 44 PRO CB . 30071 1 215 . 1 1 45 45 LEU H H 1 8.037 . . . . . . A 45 LEU H . 30071 1 216 . 1 1 45 45 LEU C C 13 174.093 . . . . . . A 45 LEU C . 30071 1 217 . 1 1 45 45 LEU CA C 13 51.413 . . . . . . A 45 LEU CA . 30071 1 218 . 1 1 45 45 LEU CB C 13 45.576 . . . . . . A 45 LEU CB . 30071 1 219 . 1 1 45 45 LEU N N 15 123.566 . . . . . . A 45 LEU N . 30071 1 220 . 1 1 46 46 PRO C C 13 178.099 . . . . . . A 46 PRO C . 30071 1 221 . 1 1 46 46 PRO CA C 13 62.159 . . . . . . A 46 PRO CA . 30071 1 222 . 1 1 46 46 PRO CB C 13 32.531 . . . . . . A 46 PRO CB . 30071 1 223 . 1 1 47 47 GLY H H 1 8.995 . . . . . . A 47 GLY H . 30071 1 224 . 1 1 47 47 GLY C C 13 175.881 . . . . . . A 47 GLY C . 30071 1 225 . 1 1 47 47 GLY CA C 13 47.886 . . . . . . A 47 GLY CA . 30071 1 226 . 1 1 47 47 GLY N N 15 111.415 . . . . . . A 47 GLY N . 30071 1 227 . 1 1 48 48 TYR H H 1 8.370 . . . . . . A 48 TYR H . 30071 1 228 . 1 1 48 48 TYR C C 13 177.192 . . . . . . A 48 TYR C . 30071 1 229 . 1 1 48 48 TYR CA C 13 59.518 . . . . . . A 48 TYR CA . 30071 1 230 . 1 1 48 48 TYR CB C 13 36.522 . . . . . . A 48 TYR CB . 30071 1 231 . 1 1 48 48 TYR N N 15 117.883 . . . . . . A 48 TYR N . 30071 1 232 . 1 1 49 49 ARG H H 1 6.768 . . . . . . A 49 ARG H . 30071 1 233 . 1 1 49 49 ARG C C 13 177.747 . . . . . . A 49 ARG C . 30071 1 234 . 1 1 49 49 ARG CA C 13 56.138 . . . . . . A 49 ARG CA . 30071 1 235 . 1 1 49 49 ARG CB C 13 29.214 . . . . . . A 49 ARG CB . 30071 1 236 . 1 1 49 49 ARG N N 15 122.536 . . . . . . A 49 ARG N . 30071 1 237 . 1 1 50 50 VAL H H 1 7.558 . . . . . . A 50 VAL H . 30071 1 238 . 1 1 50 50 VAL C C 13 177.926 . . . . . . A 50 VAL C . 30071 1 239 . 1 1 50 50 VAL CA C 13 67.307 . . . . . . A 50 VAL CA . 30071 1 240 . 1 1 50 50 VAL CB C 13 31.247 . . . . . . A 50 VAL CB . 30071 1 241 . 1 1 50 50 VAL N N 15 120.803 . . . . . . A 50 VAL N . 30071 1 242 . 1 1 51 51 ARG H H 1 7.866 . . . . . . A 51 ARG H . 30071 1 243 . 1 1 51 51 ARG C C 13 177.698 . . . . . . A 51 ARG C . 30071 1 244 . 1 1 51 51 ARG CA C 13 59.302 . . . . . . A 51 ARG CA . 30071 1 245 . 1 1 51 51 ARG CB C 13 29.309 . . . . . . A 51 ARG CB . 30071 1 246 . 1 1 51 51 ARG N N 15 119.663 . . . . . . A 51 ARG N . 30071 1 247 . 1 1 52 52 GLU H H 1 7.525 . . . . . . A 52 GLU H . 30071 1 248 . 1 1 52 52 GLU C C 13 179.472 . . . . . . A 52 GLU C . 30071 1 249 . 1 1 52 52 GLU CA C 13 59.436 . . . . . . A 52 GLU CA . 30071 1 250 . 1 1 52 52 GLU CB C 13 30.101 . . . . . . A 52 GLU CB . 30071 1 251 . 1 1 52 52 GLU N N 15 118.542 . . . . . . A 52 GLU N . 30071 1 252 . 1 1 53 53 ILE H H 1 8.156 . . . . . . A 53 ILE H . 30071 1 253 . 1 1 53 53 ILE C C 13 177.835 . . . . . . A 53 ILE C . 30071 1 254 . 1 1 53 53 ILE CA C 13 65.408 . . . . . . A 53 ILE CA . 30071 1 255 . 1 1 53 53 ILE CB C 13 37.795 . . . . . . A 53 ILE CB . 30071 1 256 . 1 1 53 53 ILE N N 15 120.231 . . . . . . A 53 ILE N . 30071 1 257 . 1 1 54 54 THR H H 1 8.083 . . . . . . A 54 THR H . 30071 1 258 . 1 1 54 54 THR C C 13 176.772 . . . . . . A 54 THR C . 30071 1 259 . 1 1 54 54 THR CA C 13 67.100 . . . . . . A 54 THR CA . 30071 1 260 . 1 1 54 54 THR CB C 13 68.197 . . . . . . A 54 THR CB . 30071 1 261 . 1 1 54 54 THR N N 15 114.843 . . . . . . A 54 THR N . 30071 1 262 . 1 1 55 55 GLU H H 1 8.436 . . . . . . A 55 GLU H . 30071 1 263 . 1 1 55 55 GLU C C 13 179.721 . . . . . . A 55 GLU C . 30071 1 264 . 1 1 55 55 GLU CA C 13 59.951 . . . . . . A 55 GLU CA . 30071 1 265 . 1 1 55 55 GLU CB C 13 29.310 . . . . . . A 55 GLU CB . 30071 1 266 . 1 1 55 55 GLU N N 15 120.375 . . . . . . A 55 GLU N . 30071 1 267 . 1 1 56 56 ASN H H 1 8.369 . . . . . . A 56 ASN H . 30071 1 268 . 1 1 56 56 ASN C C 13 178.251 . . . . . . A 56 ASN C . 30071 1 269 . 1 1 56 56 ASN CA C 13 56.433 . . . . . . A 56 ASN CA . 30071 1 270 . 1 1 56 56 ASN CB C 13 39.126 . . . . . . A 56 ASN CB . 30071 1 271 . 1 1 56 56 ASN N N 15 119.399 . . . . . . A 56 ASN N . 30071 1 272 . 1 1 57 57 LEU H H 1 8.649 . . . . . . A 57 LEU H . 30071 1 273 . 1 1 57 57 LEU C C 13 178.930 . . . . . . A 57 LEU C . 30071 1 274 . 1 1 57 57 LEU CA C 13 58.126 . . . . . . A 57 LEU CA . 30071 1 275 . 1 1 57 57 LEU CB C 13 41.783 . . . . . . A 57 LEU CB . 30071 1 276 . 1 1 57 57 LEU N N 15 123.328 . . . . . . A 57 LEU N . 30071 1 277 . 1 1 58 58 MET H H 1 7.878 . . . . . . A 58 MET H . 30071 1 278 . 1 1 58 58 MET C C 13 177.761 . . . . . . A 58 MET C . 30071 1 279 . 1 1 58 58 MET CA C 13 57.288 . . . . . . A 58 MET CA . 30071 1 280 . 1 1 58 58 MET CB C 13 30.825 . . . . . . A 58 MET CB . 30071 1 281 . 1 1 58 58 MET N N 15 117.324 . . . . . . A 58 MET N . 30071 1 282 . 1 1 59 59 ALA H H 1 8.202 . . . . . . A 59 ALA H . 30071 1 283 . 1 1 59 59 ALA C C 13 180.478 . . . . . . A 59 ALA C . 30071 1 284 . 1 1 59 59 ALA CA C 13 55.069 . . . . . . A 59 ALA CA . 30071 1 285 . 1 1 59 59 ALA CB C 13 18.459 . . . . . . A 59 ALA CB . 30071 1 286 . 1 1 59 59 ALA N N 15 119.679 . . . . . . A 59 ALA N . 30071 1 287 . 1 1 60 60 THR H H 1 8.110 . . . . . . A 60 THR H . 30071 1 288 . 1 1 60 60 THR C C 13 176.035 . . . . . . A 60 THR C . 30071 1 289 . 1 1 60 60 THR CA C 13 64.045 . . . . . . A 60 THR CA . 30071 1 290 . 1 1 60 60 THR CB C 13 69.788 . . . . . . A 60 THR CB . 30071 1 291 . 1 1 60 60 THR N N 15 109.044 . . . . . . A 60 THR N . 30071 1 292 . 1 1 61 61 GLY H H 1 8.385 . . . . . . A 61 GLY H . 30071 1 293 . 1 1 61 61 GLY C C 13 174.342 . . . . . . A 61 GLY C . 30071 1 294 . 1 1 61 61 GLY CA C 13 44.961 . . . . . . A 61 GLY CA . 30071 1 295 . 1 1 61 61 GLY N N 15 108.272 . . . . . . A 61 GLY N . 30071 1 296 . 1 1 62 62 ASP H H 1 8.082 . . . . . . A 62 ASP H . 30071 1 297 . 1 1 62 62 ASP C C 13 177.070 . . . . . . A 62 ASP C . 30071 1 298 . 1 1 62 62 ASP CA C 13 53.065 . . . . . . A 62 ASP CA . 30071 1 299 . 1 1 62 62 ASP CB C 13 39.117 . . . . . . A 62 ASP CB . 30071 1 300 . 1 1 62 62 ASP N N 15 118.955 . . . . . . A 62 ASP N . 30071 1 301 . 1 1 63 63 LEU H H 1 7.895 . . . . . . A 63 LEU H . 30071 1 302 . 1 1 63 63 LEU C C 13 178.875 . . . . . . A 63 LEU C . 30071 1 303 . 1 1 63 63 LEU CA C 13 57.256 . . . . . . A 63 LEU CA . 30071 1 304 . 1 1 63 63 LEU CB C 13 42.035 . . . . . . A 63 LEU CB . 30071 1 305 . 1 1 63 63 LEU N N 15 127.054 . . . . . . A 63 LEU N . 30071 1 306 . 1 1 64 64 ASP H H 1 8.227 . . . . . . A 64 ASP H . 30071 1 307 . 1 1 64 64 ASP C C 13 175.818 . . . . . . A 64 ASP C . 30071 1 308 . 1 1 64 64 ASP CA C 13 52.846 . . . . . . A 64 ASP CA . 30071 1 309 . 1 1 64 64 ASP CB C 13 39.258 . . . . . . A 64 ASP CB . 30071 1 310 . 1 1 64 64 ASP N N 15 114.554 . . . . . . A 64 ASP N . 30071 1 311 . 1 1 65 65 GLN H H 1 7.623 . . . . . . A 65 GLN H . 30071 1 312 . 1 1 65 65 GLN C C 13 175.374 . . . . . . A 65 GLN C . 30071 1 313 . 1 1 65 65 GLN CA C 13 57.612 . . . . . . A 65 GLN CA . 30071 1 314 . 1 1 65 65 GLN CB C 13 25.991 . . . . . . A 65 GLN CB . 30071 1 315 . 1 1 65 65 GLN N N 15 113.804 . . . . . . A 65 GLN N . 30071 1 316 . 1 1 66 66 ASP H H 1 8.709 . . . . . . A 66 ASP H . 30071 1 317 . 1 1 66 66 ASP C C 13 178.052 . . . . . . A 66 ASP C . 30071 1 318 . 1 1 66 66 ASP CA C 13 53.089 . . . . . . A 66 ASP CA . 30071 1 319 . 1 1 66 66 ASP CB C 13 40.701 . . . . . . A 66 ASP CB . 30071 1 320 . 1 1 66 66 ASP N N 15 119.007 . . . . . . A 66 ASP N . 30071 1 321 . 1 1 67 67 GLY H H 1 10.406 . . . . . . A 67 GLY H . 30071 1 322 . 1 1 67 67 GLY C C 13 172.950 . . . . . . A 67 GLY C . 30071 1 323 . 1 1 67 67 GLY CA C 13 45.814 . . . . . . A 67 GLY CA . 30071 1 324 . 1 1 67 67 GLY N N 15 113.129 . . . . . . A 67 GLY N . 30071 1 325 . 1 1 68 68 ARG H H 1 7.978 . . . . . . A 68 ARG H . 30071 1 326 . 1 1 68 68 ARG C C 13 174.979 . . . . . . A 68 ARG C . 30071 1 327 . 1 1 68 68 ARG CA C 13 53.814 . . . . . . A 68 ARG CA . 30071 1 328 . 1 1 68 68 ARG CB C 13 33.863 . . . . . . A 68 ARG CB . 30071 1 329 . 1 1 68 68 ARG N N 15 116.732 . . . . . . A 68 ARG N . 30071 1 330 . 1 1 69 69 ILE H H 1 9.534 . . . . . . A 69 ILE H . 30071 1 331 . 1 1 69 69 ILE C C 13 176.233 . . . . . . A 69 ILE C . 30071 1 332 . 1 1 69 69 ILE CA C 13 59.538 . . . . . . A 69 ILE CA . 30071 1 333 . 1 1 69 69 ILE CB C 13 39.610 . . . . . . A 69 ILE CB . 30071 1 334 . 1 1 69 69 ILE N N 15 125.047 . . . . . . A 69 ILE N . 30071 1 335 . 1 1 70 70 SER H H 1 9.950 . . . . . . A 70 SER H . 30071 1 336 . 1 1 70 70 SER C C 13 174.627 . . . . . . A 70 SER C . 30071 1 337 . 1 1 70 70 SER CA C 13 57.926 . . . . . . A 70 SER CA . 30071 1 338 . 1 1 70 70 SER CB C 13 65.206 . . . . . . A 70 SER CB . 30071 1 339 . 1 1 70 70 SER N N 15 126.539 . . . . . . A 70 SER N . 30071 1 340 . 1 1 71 71 PHE H H 1 8.942 . . . . . . A 71 PHE H . 30071 1 341 . 1 1 71 71 PHE C C 13 176.560 . . . . . . A 71 PHE C . 30071 1 342 . 1 1 71 71 PHE CA C 13 61.898 . . . . . . A 71 PHE CA . 30071 1 343 . 1 1 71 71 PHE CB C 13 37.971 . . . . . . A 71 PHE CB . 30071 1 344 . 1 1 71 71 PHE N N 15 121.993 . . . . . . A 71 PHE N . 30071 1 345 . 1 1 72 72 ASP H H 1 8.349 . . . . . . A 72 ASP H . 30071 1 346 . 1 1 72 72 ASP C C 13 179.437 . . . . . . A 72 ASP C . 30071 1 347 . 1 1 72 72 ASP CA C 13 57.639 . . . . . . A 72 ASP CA . 30071 1 348 . 1 1 72 72 ASP CB C 13 41.209 . . . . . . A 72 ASP CB . 30071 1 349 . 1 1 72 72 ASP N N 15 116.986 . . . . . . A 72 ASP N . 30071 1 350 . 1 1 73 73 GLU H H 1 7.706 . . . . . . A 73 GLU H . 30071 1 351 . 1 1 73 73 GLU C C 13 179.222 . . . . . . A 73 GLU C . 30071 1 352 . 1 1 73 73 GLU CA C 13 58.753 . . . . . . A 73 GLU CA . 30071 1 353 . 1 1 73 73 GLU CB C 13 29.669 . . . . . . A 73 GLU CB . 30071 1 354 . 1 1 73 73 GLU N N 15 118.464 . . . . . . A 73 GLU N . 30071 1 355 . 1 1 74 74 PHE H H 1 9.013 . . . . . . A 74 PHE H . 30071 1 356 . 1 1 74 74 PHE C C 13 176.628 . . . . . . A 74 PHE C . 30071 1 357 . 1 1 74 74 PHE CA C 13 61.702 . . . . . . A 74 PHE CA . 30071 1 358 . 1 1 74 74 PHE CB C 13 40.138 . . . . . . A 74 PHE CB . 30071 1 359 . 1 1 74 74 PHE N N 15 123.771 . . . . . . A 74 PHE N . 30071 1 360 . 1 1 75 75 ILE H H 1 8.205 . . . . . . A 75 ILE H . 30071 1 361 . 1 1 75 75 ILE C C 13 178.364 . . . . . . A 75 ILE C . 30071 1 362 . 1 1 75 75 ILE CA C 13 65.860 . . . . . . A 75 ILE CA . 30071 1 363 . 1 1 75 75 ILE CB C 13 37.842 . . . . . . A 75 ILE CB . 30071 1 364 . 1 1 75 75 ILE N N 15 117.159 . . . . . . A 75 ILE N . 30071 1 365 . 1 1 76 76 LYS H H 1 7.171 . . . . . . A 76 LYS H . 30071 1 366 . 1 1 76 76 LYS C C 13 178.739 . . . . . . A 76 LYS C . 30071 1 367 . 1 1 76 76 LYS CA C 13 59.325 . . . . . . A 76 LYS CA . 30071 1 368 . 1 1 76 76 LYS CB C 13 32.363 . . . . . . A 76 LYS CB . 30071 1 369 . 1 1 76 76 LYS N N 15 117.232 . . . . . . A 76 LYS N . 30071 1 370 . 1 1 77 77 ILE H H 1 7.575 . . . . . . A 77 ILE H . 30071 1 371 . 1 1 77 77 ILE C C 13 176.361 . . . . . . A 77 ILE C . 30071 1 372 . 1 1 77 77 ILE CA C 13 64.487 . . . . . . A 77 ILE CA . 30071 1 373 . 1 1 77 77 ILE CB C 13 37.980 . . . . . . A 77 ILE CB . 30071 1 374 . 1 1 77 77 ILE N N 15 118.820 . . . . . . A 77 ILE N . 30071 1 375 . 1 1 78 78 PHE H H 1 7.313 . . . . . . A 78 PHE H . 30071 1 376 . 1 1 78 78 PHE C C 13 176.212 . . . . . . A 78 PHE C . 30071 1 377 . 1 1 78 78 PHE CA C 13 60.454 . . . . . . A 78 PHE CA . 30071 1 378 . 1 1 78 78 PHE CB C 13 40.018 . . . . . . A 78 PHE CB . 30071 1 379 . 1 1 78 78 PHE N N 15 115.996 . . . . . . A 78 PHE N . 30071 1 380 . 1 1 79 79 HIS H H 1 8.262 . . . . . . A 79 HIS H . 30071 1 381 . 1 1 79 79 HIS C C 13 175.976 . . . . . . A 79 HIS C . 30071 1 382 . 1 1 79 79 HIS CA C 13 56.656 . . . . . . A 79 HIS CA . 30071 1 383 . 1 1 79 79 HIS CB C 13 31.206 . . . . . . A 79 HIS CB . 30071 1 384 . 1 1 79 79 HIS N N 15 117.355 . . . . . . A 79 HIS N . 30071 1 385 . 1 1 80 80 GLY H H 1 8.140 . . . . . . A 80 GLY H . 30071 1 386 . 1 1 80 80 GLY C C 13 174.581 . . . . . . A 80 GLY C . 30071 1 387 . 1 1 80 80 GLY CA C 13 45.820 . . . . . . A 80 GLY CA . 30071 1 388 . 1 1 80 80 GLY N N 15 109.580 . . . . . . A 80 GLY N . 30071 1 389 . 1 1 81 81 LEU H H 1 7.991 . . . . . . A 81 LEU H . 30071 1 390 . 1 1 81 81 LEU C C 13 177.906 . . . . . . A 81 LEU C . 30071 1 391 . 1 1 81 81 LEU CA C 13 55.502 . . . . . . A 81 LEU CA . 30071 1 392 . 1 1 81 81 LEU CB C 13 41.915 . . . . . . A 81 LEU CB . 30071 1 393 . 1 1 81 81 LEU N N 15 120.547 . . . . . . A 81 LEU N . 30071 1 394 . 1 1 82 82 LYS H H 1 7.829 . . . . . . A 82 LYS H . 30071 1 395 . 1 1 82 82 LYS C C 13 176.282 . . . . . . A 82 LYS C . 30071 1 396 . 1 1 82 82 LYS CA C 13 56.979 . . . . . . A 82 LYS CA . 30071 1 397 . 1 1 82 82 LYS CB C 13 32.824 . . . . . . A 82 LYS CB . 30071 1 398 . 1 1 82 82 LYS N N 15 118.815 . . . . . . A 82 LYS N . 30071 1 399 . 1 1 83 83 SER H H 1 8.266 . . . . . . A 83 SER H . 30071 1 400 . 1 1 83 83 SER C C 13 174.926 . . . . . . A 83 SER C . 30071 1 401 . 1 1 83 83 SER CA C 13 58.138 . . . . . . A 83 SER CA . 30071 1 402 . 1 1 83 83 SER CB C 13 63.390 . . . . . . A 83 SER CB . 30071 1 403 . 1 1 83 83 SER N N 15 115.449 . . . . . . A 83 SER N . 30071 1 404 . 1 1 84 84 THR H H 1 7.993 . . . . . . A 84 THR H . 30071 1 405 . 1 1 84 84 THR C C 13 175.317 . . . . . . A 84 THR C . 30071 1 406 . 1 1 84 84 THR CA C 13 61.851 . . . . . . A 84 THR CA . 30071 1 407 . 1 1 84 84 THR CB C 13 71.031 . . . . . . A 84 THR CB . 30071 1 408 . 1 1 84 84 THR N N 15 114.433 . . . . . . A 84 THR N . 30071 1 409 . 1 1 85 85 ASP H H 1 8.783 . . . . . . A 85 ASP H . 30071 1 410 . 1 1 85 85 ASP C C 13 179.261 . . . . . . A 85 ASP C . 30071 1 411 . 1 1 85 85 ASP CA C 13 57.607 . . . . . . A 85 ASP CA . 30071 1 412 . 1 1 85 85 ASP CB C 13 40.431 . . . . . . A 85 ASP CB . 30071 1 413 . 1 1 85 85 ASP N N 15 121.983 . . . . . . A 85 ASP N . 30071 1 414 . 1 1 86 86 VAL H H 1 8.191 . . . . . . A 86 VAL H . 30071 1 415 . 1 1 86 86 VAL C C 13 177.062 . . . . . . A 86 VAL C . 30071 1 416 . 1 1 86 86 VAL CA C 13 65.760 . . . . . . A 86 VAL CA . 30071 1 417 . 1 1 86 86 VAL CB C 13 31.424 . . . . . . A 86 VAL CB . 30071 1 418 . 1 1 86 86 VAL N N 15 118.914 . . . . . . A 86 VAL N . 30071 1 419 . 1 1 87 87 ALA H H 1 7.713 . . . . . . A 87 ALA H . 30071 1 420 . 1 1 87 87 ALA C C 13 179.982 . . . . . . A 87 ALA C . 30071 1 421 . 1 1 87 87 ALA CA C 13 55.564 . . . . . . A 87 ALA CA . 30071 1 422 . 1 1 87 87 ALA CB C 13 18.991 . . . . . . A 87 ALA CB . 30071 1 423 . 1 1 87 87 ALA N N 15 123.525 . . . . . . A 87 ALA N . 30071 1 424 . 1 1 88 88 LYS H H 1 8.097 . . . . . . A 88 LYS H . 30071 1 425 . 1 1 88 88 LYS C C 13 179.990 . . . . . . A 88 LYS C . 30071 1 426 . 1 1 88 88 LYS CA C 13 60.158 . . . . . . A 88 LYS CA . 30071 1 427 . 1 1 88 88 LYS CB C 13 32.333 . . . . . . A 88 LYS CB . 30071 1 428 . 1 1 88 88 LYS N N 15 118.008 . . . . . . A 88 LYS N . 30071 1 429 . 1 1 89 89 THR H H 1 8.162 . . . . . . A 89 THR H . 30071 1 430 . 1 1 89 89 THR C C 13 175.659 . . . . . . A 89 THR C . 30071 1 431 . 1 1 89 89 THR CA C 13 67.049 . . . . . . A 89 THR CA . 30071 1 432 . 1 1 89 89 THR CB C 13 68.239 . . . . . . A 89 THR CB . 30071 1 433 . 1 1 89 89 THR N N 15 118.056 . . . . . . A 89 THR N . 30071 1 434 . 1 1 90 90 PHE H H 1 8.483 . . . . . . A 90 PHE H . 30071 1 435 . 1 1 90 90 PHE C C 13 176.785 . . . . . . A 90 PHE C . 30071 1 436 . 1 1 90 90 PHE CA C 13 58.036 . . . . . . A 90 PHE CA . 30071 1 437 . 1 1 90 90 PHE CB C 13 39.296 . . . . . . A 90 PHE CB . 30071 1 438 . 1 1 90 90 PHE N N 15 122.165 . . . . . . A 90 PHE N . 30071 1 439 . 1 1 91 91 ARG H H 1 8.575 . . . . . . A 91 ARG H . 30071 1 440 . 1 1 91 91 ARG C C 13 177.809 . . . . . . A 91 ARG C . 30071 1 441 . 1 1 91 91 ARG CA C 13 59.352 . . . . . . A 91 ARG CA . 30071 1 442 . 1 1 91 91 ARG CB C 13 29.806 . . . . . . A 91 ARG CB . 30071 1 443 . 1 1 91 91 ARG N N 15 117.723 . . . . . . A 91 ARG N . 30071 1 444 . 1 1 92 92 LYS H H 1 7.890 . . . . . . A 92 LYS H . 30071 1 445 . 1 1 92 92 LYS C C 13 178.764 . . . . . . A 92 LYS C . 30071 1 446 . 1 1 92 92 LYS CA C 13 59.444 . . . . . . A 92 LYS CA . 30071 1 447 . 1 1 92 92 LYS CB C 13 32.434 . . . . . . A 92 LYS CB . 30071 1 448 . 1 1 92 92 LYS N N 15 118.392 . . . . . . A 92 LYS N . 30071 1 449 . 1 1 93 93 ALA H H 1 7.985 . . . . . . A 93 ALA H . 30071 1 450 . 1 1 93 93 ALA C C 13 178.836 . . . . . . A 93 ALA C . 30071 1 451 . 1 1 93 93 ALA CA C 13 54.867 . . . . . . A 93 ALA CA . 30071 1 452 . 1 1 93 93 ALA CB C 13 17.968 . . . . . . A 93 ALA CB . 30071 1 453 . 1 1 93 93 ALA N N 15 120.515 . . . . . . A 93 ALA N . 30071 1 454 . 1 1 94 94 ILE H H 1 7.971 . . . . . . A 94 ILE H . 30071 1 455 . 1 1 94 94 ILE C C 13 177.220 . . . . . . A 94 ILE C . 30071 1 456 . 1 1 94 94 ILE CA C 13 65.216 . . . . . . A 94 ILE CA . 30071 1 457 . 1 1 94 94 ILE CB C 13 38.384 . . . . . . A 94 ILE CB . 30071 1 458 . 1 1 94 94 ILE N N 15 117.215 . . . . . . A 94 ILE N . 30071 1 459 . 1 1 95 95 ASN H H 1 7.932 . . . . . . A 95 ASN H . 30071 1 460 . 1 1 95 95 ASN C C 13 175.604 . . . . . . A 95 ASN C . 30071 1 461 . 1 1 95 95 ASN CA C 13 54.121 . . . . . . A 95 ASN CA . 30071 1 462 . 1 1 95 95 ASN CB C 13 38.377 . . . . . . A 95 ASN CB . 30071 1 463 . 1 1 95 95 ASN N N 15 116.226 . . . . . . A 95 ASN N . 30071 1 464 . 1 1 96 96 LYS H H 1 7.529 . . . . . . A 96 LYS H . 30071 1 465 . 1 1 96 96 LYS C C 13 175.890 . . . . . . A 96 LYS C . 30071 1 466 . 1 1 96 96 LYS CA C 13 56.618 . . . . . . A 96 LYS CA . 30071 1 467 . 1 1 96 96 LYS CB C 13 32.513 . . . . . . A 96 LYS CB . 30071 1 468 . 1 1 96 96 LYS N N 15 119.665 . . . . . . A 96 LYS N . 30071 1 469 . 1 1 97 97 LYS H H 1 7.641 . . . . . . A 97 LYS H . 30071 1 470 . 1 1 97 97 LYS C C 13 181.182 . . . . . . A 97 LYS C . 30071 1 471 . 1 1 97 97 LYS CA C 13 57.992 . . . . . . A 97 LYS CA . 30071 1 472 . 1 1 97 97 LYS CB C 13 32.831 . . . . . . A 97 LYS CB . 30071 1 473 . 1 1 97 97 LYS N N 15 126.964 . . . . . . A 97 LYS N . 30071 1 stop_ save_