data_11328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11328 _Entry.Title ; Solution structure of the B-box domain of the zinc finger FYVE domain-containing protein 19 from Mus musculus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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.Entry_ID 1 K. Miyamoto . . . 11328 2 T. Kigawa . . . 11328 3 M. Sato . . . 11328 4 S. Koshiba . . . 11328 5 M. Inoue . . . 11328 6 S. Yokoyama . . . 11328 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 11328 '15N chemical shifts' 53 11328 '1H chemical shifts' 347 11328 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 . . 2011-08-19 2010-08-10 original author . 11328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8V 'BMRB Entry Tracking System' 11328 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11328 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the B-box domain of the zinc finger FYVE domain-containing protein 19 from Mus musculus ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 K. Miyamoto . . . 11328 1 2 T. Kigawa . . . 11328 1 3 M. Sato . . . 11328 1 4 S. Koshiba . . . 11328 1 5 M. Inoue . . . 11328 1 6 S. Yokoyama . . . 11328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11328 _Assembly.ID 1 _Assembly.Name 'Zinc finger FYVE domain-containing protein 19' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'zf-B box' 1 $entity_1 A . yes native no no . . . 11328 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11328 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11328 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'zf-B box' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11328 1 2 coordination single . 1 'zf-B box' 1 CYS 14 14 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 14 CYS SG . . . . ZN 11328 1 3 coordination single . 1 'zf-B box' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11328 1 4 coordination single . 1 'zf-B box' 1 CYS 34 34 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11328 1 5 coordination single . 1 'zf-B box' 1 CYS 22 22 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 22 CYS SG . . . . ZN 11328 1 6 coordination single . 1 'zf-B box' 1 CYS 25 25 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 25 CYS SG . . . . ZN 11328 1 7 coordination single . 1 'zf-B box' 1 HIS 39 39 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 HIS NE2 . . . . ZN 11328 1 8 coordination single . 1 'zf-B box' 1 HIS 47 47 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 47 HIS ND1 . . . . ZN 11328 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 39 39 HE2 . 39 HIS HE2 11328 1 . . 1 1 HIS 47 47 HD1 . 47 HIS HD1 11328 1 . . 1 1 CYS 22 22 HG . 22 CYS HG 11328 1 . . 1 1 CYS 25 25 HG . 25 CYS HG 11328 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11328 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 11328 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11328 1 . . 1 1 CYS 14 14 HG . 14 CYS HG 11328 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 yes PDB 2d8v . . . . . . 11328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11328 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zf-B box' _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 ; GSSGSSGLPWCCICNEDATL RCAGCDGDLYCARCFREGHD NFDLKEHQTSPYHPRRPCQE HSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D8V . "Solution Structure Of The B-Box Domain Of The Zinc Finger Fyve Domain-Containing Protein 19 From Mus Musculus" . . . . . 100.00 67 100.00 100.00 2.17e-40 . . . . 11328 1 2 no DBJ BAB23993 . "unnamed protein product [Mus musculus]" . . . . . 80.60 389 100.00 100.00 7.46e-33 . . . . 11328 1 3 no GB AAH18420 . "Zinc finger, FYVE domain containing 19 [Mus musculus]" . . . . . 80.60 389 100.00 100.00 6.74e-33 . . . . 11328 1 4 no GB EDL27942 . "zinc finger, FYVE domain containing 19, isoform CRA_a, partial [Mus musculus]" . . . . . 80.60 399 100.00 100.00 7.06e-33 . . . . 11328 1 5 no GB EDL27943 . "zinc finger, FYVE domain containing 19, isoform CRA_b [Mus musculus]" . . . . . 80.60 251 100.00 100.00 1.02e-33 . . . . 11328 1 6 no REF NP_082330 . "abscission/NoCut checkpoint regulator isoform 1 [Mus musculus]" . . . . . 80.60 389 100.00 100.00 7.85e-33 . . . . 11328 1 7 no REF XP_005603199 . "PREDICTED: zinc finger FYVE domain-containing protein 19 [Equus caballus]" . . . . . 70.15 390 97.87 97.87 5.51e-26 . . . . 11328 1 8 no REF XP_006500266 . "PREDICTED: abscission/NoCut checkpoint regulator isoform X1 [Mus musculus]" . . . . . 80.60 396 100.00 100.00 7.60e-33 . . . . 11328 1 9 no REF XP_006500267 . "PREDICTED: abscission/NoCut checkpoint regulator isoform X3 [Mus musculus]" . . . . . 80.60 394 100.00 100.00 8.50e-33 . . . . 11328 1 10 no REF XP_006500268 . "PREDICTED: abscission/NoCut checkpoint regulator isoform X4 [Mus musculus]" . . . . . 80.60 390 100.00 100.00 7.69e-33 . . . . 11328 1 11 no SP Q9DAZ9 . "RecName: Full=Abscission/NoCut checkpoint regulator; Short=ANCHR; AltName: Full=Zinc finger FYVE domain-containing protein 19" . . . . . 80.60 389 100.00 100.00 7.85e-33 . . . . 11328 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zf-B box' . 11328 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 . GLY . 11328 1 2 . SER . 11328 1 3 . SER . 11328 1 4 . GLY . 11328 1 5 . SER . 11328 1 6 . SER . 11328 1 7 . GLY . 11328 1 8 . LEU . 11328 1 9 . PRO . 11328 1 10 . TRP . 11328 1 11 . CYS . 11328 1 12 . CYS . 11328 1 13 . ILE . 11328 1 14 . CYS . 11328 1 15 . ASN . 11328 1 16 . GLU . 11328 1 17 . ASP . 11328 1 18 . ALA . 11328 1 19 . THR . 11328 1 20 . LEU . 11328 1 21 . ARG . 11328 1 22 . CYS . 11328 1 23 . ALA . 11328 1 24 . GLY . 11328 1 25 . CYS . 11328 1 26 . ASP . 11328 1 27 . GLY . 11328 1 28 . ASP . 11328 1 29 . LEU . 11328 1 30 . TYR . 11328 1 31 . CYS . 11328 1 32 . ALA . 11328 1 33 . ARG . 11328 1 34 . CYS . 11328 1 35 . PHE . 11328 1 36 . ARG . 11328 1 37 . GLU . 11328 1 38 . GLY . 11328 1 39 . HIS . 11328 1 40 . ASP . 11328 1 41 . ASN . 11328 1 42 . PHE . 11328 1 43 . ASP . 11328 1 44 . LEU . 11328 1 45 . LYS . 11328 1 46 . GLU . 11328 1 47 . HIS . 11328 1 48 . GLN . 11328 1 49 . THR . 11328 1 50 . SER . 11328 1 51 . PRO . 11328 1 52 . TYR . 11328 1 53 . HIS . 11328 1 54 . PRO . 11328 1 55 . ARG . 11328 1 56 . ARG . 11328 1 57 . PRO . 11328 1 58 . CYS . 11328 1 59 . GLN . 11328 1 60 . GLU . 11328 1 61 . HIS . 11328 1 62 . SER . 11328 1 63 . GLY . 11328 1 64 . PRO . 11328 1 65 . SER . 11328 1 66 . SER . 11328 1 67 . GLY . 11328 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 . GLY 1 1 11328 1 . SER 2 2 11328 1 . SER 3 3 11328 1 . GLY 4 4 11328 1 . SER 5 5 11328 1 . SER 6 6 11328 1 . GLY 7 7 11328 1 . LEU 8 8 11328 1 . PRO 9 9 11328 1 . TRP 10 10 11328 1 . CYS 11 11 11328 1 . CYS 12 12 11328 1 . ILE 13 13 11328 1 . CYS 14 14 11328 1 . ASN 15 15 11328 1 . GLU 16 16 11328 1 . ASP 17 17 11328 1 . ALA 18 18 11328 1 . THR 19 19 11328 1 . LEU 20 20 11328 1 . ARG 21 21 11328 1 . CYS 22 22 11328 1 . ALA 23 23 11328 1 . GLY 24 24 11328 1 . CYS 25 25 11328 1 . ASP 26 26 11328 1 . GLY 27 27 11328 1 . ASP 28 28 11328 1 . LEU 29 29 11328 1 . TYR 30 30 11328 1 . CYS 31 31 11328 1 . ALA 32 32 11328 1 . ARG 33 33 11328 1 . CYS 34 34 11328 1 . PHE 35 35 11328 1 . ARG 36 36 11328 1 . GLU 37 37 11328 1 . GLY 38 38 11328 1 . HIS 39 39 11328 1 . ASP 40 40 11328 1 . ASN 41 41 11328 1 . PHE 42 42 11328 1 . ASP 43 43 11328 1 . LEU 44 44 11328 1 . LYS 45 45 11328 1 . GLU 46 46 11328 1 . HIS 47 47 11328 1 . GLN 48 48 11328 1 . THR 49 49 11328 1 . SER 50 50 11328 1 . PRO 51 51 11328 1 . TYR 52 52 11328 1 . HIS 53 53 11328 1 . PRO 54 54 11328 1 . ARG 55 55 11328 1 . ARG 56 56 11328 1 . PRO 57 57 11328 1 . CYS 58 58 11328 1 . GLN 59 59 11328 1 . GLU 60 60 11328 1 . HIS 61 61 11328 1 . SER 62 62 11328 1 . GLY 63 63 11328 1 . PRO 64 64 11328 1 . SER 65 65 11328 1 . SER 66 66 11328 1 . GLY 67 67 11328 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11328 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11328 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 11328 _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 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11328 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 11328 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050322-02 . . . . . . 11328 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 11328 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 Zn _Chem_comp.Formula_weight 65.409 _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 11328 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11328 ZN [Zn++] SMILES CACTVS 3.341 11328 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11328 ZN [Zn+2] SMILES ACDLabs 10.04 11328 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11328 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11328 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11328 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11328 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11328 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11328 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.08mM zf-B_box U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 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 zf-B_box '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.08 . . mM . . . . 11328 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11328 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11328 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11328 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11328 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11328 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11328 1 8 H2O . . . . . . solvent 90 . . % . . . . 11328 1 9 D2O . . . . . . solvent 10 . . % . . . . 11328 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 11328 _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' 120 0.1 mM 11328 1 pH 7.0 0.05 pH 11328 1 pressure 1 0.001 atm 11328 1 temperature 296 0.1 K 11328 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11328 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11328 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11328 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11328 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11328 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11328 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11328 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11328 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11328 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11328 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11328 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11328 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11328 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11328 5 'structure solution' 11328 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11328 _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 spectrometer_1 Bruker AVANCE . 900 . . . 11328 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 11328 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11328 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11328 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11328 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11328 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11328 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11328 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11328 _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 $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 15N-separated NOESY' 1 $sample_1 isotropic 11328 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11328 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11328 1 2 $NMRPipe . . 11328 1 3 $NMRView . . 11328 1 4 $Kujira . . 11328 1 5 $CYANA . . 11328 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 7 7 GLY H H 1 8.317 0.030 . 1 . . . . 7 GLY H . 11328 1 2 . 1 1 7 7 GLY HA2 H 1 3.906 0.030 . 2 . . . . 7 GLY HA2 . 11328 1 3 . 1 1 7 7 GLY HA3 H 1 3.857 0.030 . 2 . . . . 7 GLY HA3 . 11328 1 4 . 1 1 7 7 GLY CA C 13 45.349 0.300 . 1 . . . . 7 GLY CA . 11328 1 5 . 1 1 7 7 GLY N N 15 110.501 0.300 . 1 . . . . 7 GLY N . 11328 1 6 . 1 1 8 8 LEU H H 1 7.869 0.030 . 1 . . . . 8 LEU H . 11328 1 7 . 1 1 8 8 LEU HA H 1 4.301 0.030 . 1 . . . . 8 LEU HA . 11328 1 8 . 1 1 8 8 LEU HB2 H 1 1.344 0.030 . 2 . . . . 8 LEU HB2 . 11328 1 9 . 1 1 8 8 LEU HB3 H 1 0.763 0.030 . 2 . . . . 8 LEU HB3 . 11328 1 10 . 1 1 8 8 LEU HD11 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1 11 . 1 1 8 8 LEU HD12 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1 12 . 1 1 8 8 LEU HD13 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1 13 . 1 1 8 8 LEU HD21 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1 14 . 1 1 8 8 LEU HD22 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1 15 . 1 1 8 8 LEU HD23 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1 16 . 1 1 8 8 LEU HG H 1 1.448 0.030 . 1 . . . . 8 LEU HG . 11328 1 17 . 1 1 8 8 LEU C C 13 176.614 0.300 . 1 . . . . 8 LEU C . 11328 1 18 . 1 1 8 8 LEU CA C 13 52.390 0.300 . 1 . . . . 8 LEU CA . 11328 1 19 . 1 1 8 8 LEU CB C 13 40.900 0.300 . 1 . . . . 8 LEU CB . 11328 1 20 . 1 1 8 8 LEU CD1 C 13 25.156 0.300 . 2 . . . . 8 LEU CD1 . 11328 1 21 . 1 1 8 8 LEU CD2 C 13 22.716 0.300 . 2 . . . . 8 LEU CD2 . 11328 1 22 . 1 1 8 8 LEU CG C 13 26.959 0.300 . 1 . . . . 8 LEU CG . 11328 1 23 . 1 1 8 8 LEU N N 15 122.372 0.300 . 1 . . . . 8 LEU N . 11328 1 24 . 1 1 9 9 PRO HA H 1 4.388 0.030 . 1 . . . . 9 PRO HA . 11328 1 25 . 1 1 9 9 PRO HB2 H 1 1.777 0.030 . 2 . . . . 9 PRO HB2 . 11328 1 26 . 1 1 9 9 PRO HB3 H 1 2.059 0.030 . 2 . . . . 9 PRO HB3 . 11328 1 27 . 1 1 9 9 PRO HD2 H 1 3.370 0.030 . 2 . . . . 9 PRO HD2 . 11328 1 28 . 1 1 9 9 PRO HD3 H 1 2.673 0.030 . 2 . . . . 9 PRO HD3 . 11328 1 29 . 1 1 9 9 PRO HG2 H 1 1.125 0.030 . 2 . . . . 9 PRO HG2 . 11328 1 30 . 1 1 9 9 PRO HG3 H 1 1.691 0.030 . 2 . . . . 9 PRO HG3 . 11328 1 31 . 1 1 9 9 PRO C C 13 174.952 0.300 . 1 . . . . 9 PRO C . 11328 1 32 . 1 1 9 9 PRO CA C 13 63.256 0.300 . 1 . . . . 9 PRO CA . 11328 1 33 . 1 1 9 9 PRO CB C 13 30.262 0.300 . 1 . . . . 9 PRO CB . 11328 1 34 . 1 1 9 9 PRO CD C 13 49.562 0.300 . 1 . . . . 9 PRO CD . 11328 1 35 . 1 1 9 9 PRO CG C 13 26.434 0.300 . 1 . . . . 9 PRO CG . 11328 1 36 . 1 1 10 10 TRP H H 1 7.103 0.030 . 1 . . . . 10 TRP H . 11328 1 37 . 1 1 10 10 TRP HA H 1 5.015 0.030 . 1 . . . . 10 TRP HA . 11328 1 38 . 1 1 10 10 TRP HB2 H 1 2.894 0.030 . 2 . . . . 10 TRP HB2 . 11328 1 39 . 1 1 10 10 TRP HB3 H 1 3.171 0.030 . 2 . . . . 10 TRP HB3 . 11328 1 40 . 1 1 10 10 TRP HD1 H 1 6.949 0.030 . 1 . . . . 10 TRP HD1 . 11328 1 41 . 1 1 10 10 TRP HE1 H 1 10.048 0.030 . 1 . . . . 10 TRP HE1 . 11328 1 42 . 1 1 10 10 TRP HE3 H 1 7.443 0.030 . 1 . . . . 10 TRP HE3 . 11328 1 43 . 1 1 10 10 TRP HH2 H 1 7.181 0.030 . 1 . . . . 10 TRP HH2 . 11328 1 44 . 1 1 10 10 TRP HZ2 H 1 7.408 0.030 . 1 . . . . 10 TRP HZ2 . 11328 1 45 . 1 1 10 10 TRP HZ3 H 1 7.123 0.030 . 1 . . . . 10 TRP HZ3 . 11328 1 46 . 1 1 10 10 TRP C C 13 174.539 0.300 . 1 . . . . 10 TRP C . 11328 1 47 . 1 1 10 10 TRP CA C 13 54.194 0.300 . 1 . . . . 10 TRP CA . 11328 1 48 . 1 1 10 10 TRP CB C 13 31.389 0.300 . 1 . . . . 10 TRP CB . 11328 1 49 . 1 1 10 10 TRP CD1 C 13 125.502 0.300 . 1 . . . . 10 TRP CD1 . 11328 1 50 . 1 1 10 10 TRP CE3 C 13 121.141 0.300 . 1 . . . . 10 TRP CE3 . 11328 1 51 . 1 1 10 10 TRP CH2 C 13 124.584 0.300 . 1 . . . . 10 TRP CH2 . 11328 1 52 . 1 1 10 10 TRP CZ2 C 13 114.588 0.300 . 1 . . . . 10 TRP CZ2 . 11328 1 53 . 1 1 10 10 TRP CZ3 C 13 121.830 0.300 . 1 . . . . 10 TRP CZ3 . 11328 1 54 . 1 1 10 10 TRP N N 15 119.826 0.300 . 1 . . . . 10 TRP N . 11328 1 55 . 1 1 10 10 TRP NE1 N 15 128.749 0.300 . 1 . . . . 10 TRP NE1 . 11328 1 56 . 1 1 11 11 CYS H H 1 9.433 0.030 . 1 . . . . 11 CYS H . 11328 1 57 . 1 1 11 11 CYS HA H 1 3.739 0.030 . 1 . . . . 11 CYS HA . 11328 1 58 . 1 1 11 11 CYS HB2 H 1 2.647 0.030 . 2 . . . . 11 CYS HB2 . 11328 1 59 . 1 1 11 11 CYS HB3 H 1 3.217 0.030 . 2 . . . . 11 CYS HB3 . 11328 1 60 . 1 1 11 11 CYS C C 13 177.331 0.300 . 1 . . . . 11 CYS C . 11328 1 61 . 1 1 11 11 CYS CA C 13 60.130 0.300 . 1 . . . . 11 CYS CA . 11328 1 62 . 1 1 11 11 CYS CB C 13 30.531 0.300 . 1 . . . . 11 CYS CB . 11328 1 63 . 1 1 11 11 CYS N N 15 122.118 0.300 . 1 . . . . 11 CYS N . 11328 1 64 . 1 1 12 12 CYS H H 1 9.008 0.030 . 1 . . . . 12 CYS H . 11328 1 65 . 1 1 12 12 CYS HA H 1 4.399 0.030 . 1 . . . . 12 CYS HA . 11328 1 66 . 1 1 12 12 CYS HB2 H 1 2.863 0.030 . 2 . . . . 12 CYS HB2 . 11328 1 67 . 1 1 12 12 CYS HB3 H 1 3.174 0.030 . 2 . . . . 12 CYS HB3 . 11328 1 68 . 1 1 12 12 CYS C C 13 174.112 0.300 . 1 . . . . 12 CYS C . 11328 1 69 . 1 1 12 12 CYS CA C 13 60.255 0.300 . 1 . . . . 12 CYS CA . 11328 1 70 . 1 1 12 12 CYS CB C 13 27.576 0.300 . 1 . . . . 12 CYS CB . 11328 1 71 . 1 1 12 12 CYS N N 15 128.164 0.300 . 1 . . . . 12 CYS N . 11328 1 72 . 1 1 13 13 ILE H H 1 9.029 0.030 . 1 . . . . 13 ILE H . 11328 1 73 . 1 1 13 13 ILE HA H 1 4.335 0.030 . 1 . . . . 13 ILE HA . 11328 1 74 . 1 1 13 13 ILE HB H 1 2.874 0.030 . 1 . . . . 13 ILE HB . 11328 1 75 . 1 1 13 13 ILE HD11 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1 76 . 1 1 13 13 ILE HD12 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1 77 . 1 1 13 13 ILE HD13 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1 78 . 1 1 13 13 ILE HG12 H 1 1.763 0.030 . 2 . . . . 13 ILE HG12 . 11328 1 79 . 1 1 13 13 ILE HG13 H 1 1.834 0.030 . 2 . . . . 13 ILE HG13 . 11328 1 80 . 1 1 13 13 ILE HG21 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1 81 . 1 1 13 13 ILE HG22 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1 82 . 1 1 13 13 ILE HG23 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1 83 . 1 1 13 13 ILE C C 13 177.539 0.300 . 1 . . . . 13 ILE C . 11328 1 84 . 1 1 13 13 ILE CA C 13 61.972 0.300 . 1 . . . . 13 ILE CA . 11328 1 85 . 1 1 13 13 ILE CB C 13 36.527 0.300 . 1 . . . . 13 ILE CB . 11328 1 86 . 1 1 13 13 ILE CD1 C 13 10.293 0.300 . 1 . . . . 13 ILE CD1 . 11328 1 87 . 1 1 13 13 ILE CG1 C 13 27.428 0.300 . 1 . . . . 13 ILE CG1 . 11328 1 88 . 1 1 13 13 ILE CG2 C 13 17.752 0.300 . 1 . . . . 13 ILE CG2 . 11328 1 89 . 1 1 13 13 ILE N N 15 126.802 0.300 . 1 . . . . 13 ILE N . 11328 1 90 . 1 1 14 14 CYS H H 1 8.177 0.030 . 1 . . . . 14 CYS H . 11328 1 91 . 1 1 14 14 CYS HA H 1 4.844 0.030 . 1 . . . . 14 CYS HA . 11328 1 92 . 1 1 14 14 CYS HB2 H 1 2.584 0.030 . 2 . . . . 14 CYS HB2 . 11328 1 93 . 1 1 14 14 CYS HB3 H 1 3.255 0.030 . 2 . . . . 14 CYS HB3 . 11328 1 94 . 1 1 14 14 CYS C C 13 176.305 0.300 . 1 . . . . 14 CYS C . 11328 1 95 . 1 1 14 14 CYS CA C 13 59.436 0.300 . 1 . . . . 14 CYS CA . 11328 1 96 . 1 1 14 14 CYS CB C 13 33.155 0.300 . 1 . . . . 14 CYS CB . 11328 1 97 . 1 1 14 14 CYS N N 15 118.675 0.300 . 1 . . . . 14 CYS N . 11328 1 98 . 1 1 15 15 ASN H H 1 7.830 0.030 . 1 . . . . 15 ASN H . 11328 1 99 . 1 1 15 15 ASN HA H 1 4.376 0.030 . 1 . . . . 15 ASN HA . 11328 1 100 . 1 1 15 15 ASN HB2 H 1 2.418 0.030 . 2 . . . . 15 ASN HB2 . 11328 1 101 . 1 1 15 15 ASN HB3 H 1 2.725 0.030 . 2 . . . . 15 ASN HB3 . 11328 1 102 . 1 1 15 15 ASN HD21 H 1 6.560 0.030 . 2 . . . . 15 ASN HD21 . 11328 1 103 . 1 1 15 15 ASN HD22 H 1 6.998 0.030 . 2 . . . . 15 ASN HD22 . 11328 1 104 . 1 1 15 15 ASN C C 13 173.859 0.300 . 1 . . . . 15 ASN C . 11328 1 105 . 1 1 15 15 ASN CA C 13 55.364 0.300 . 1 . . . . 15 ASN CA . 11328 1 106 . 1 1 15 15 ASN CB C 13 37.990 0.300 . 1 . . . . 15 ASN CB . 11328 1 107 . 1 1 15 15 ASN N N 15 116.679 0.300 . 1 . . . . 15 ASN N . 11328 1 108 . 1 1 15 15 ASN ND2 N 15 110.954 0.300 . 1 . . . . 15 ASN ND2 . 11328 1 109 . 1 1 16 16 GLU H H 1 8.727 0.030 . 1 . . . . 16 GLU H . 11328 1 110 . 1 1 16 16 GLU HA H 1 4.454 0.030 . 1 . . . . 16 GLU HA . 11328 1 111 . 1 1 16 16 GLU HB2 H 1 2.260 0.030 . 2 . . . . 16 GLU HB2 . 11328 1 112 . 1 1 16 16 GLU HB3 H 1 2.147 0.030 . 2 . . . . 16 GLU HB3 . 11328 1 113 . 1 1 16 16 GLU HG2 H 1 2.534 0.030 . 2 . . . . 16 GLU HG2 . 11328 1 114 . 1 1 16 16 GLU HG3 H 1 2.285 0.030 . 2 . . . . 16 GLU HG3 . 11328 1 115 . 1 1 16 16 GLU C C 13 175.167 0.300 . 1 . . . . 16 GLU C . 11328 1 116 . 1 1 16 16 GLU CA C 13 56.366 0.300 . 1 . . . . 16 GLU CA . 11328 1 117 . 1 1 16 16 GLU CB C 13 29.682 0.300 . 1 . . . . 16 GLU CB . 11328 1 118 . 1 1 16 16 GLU CG C 13 37.457 0.300 . 1 . . . . 16 GLU CG . 11328 1 119 . 1 1 16 16 GLU N N 15 120.249 0.300 . 1 . . . . 16 GLU N . 11328 1 120 . 1 1 17 17 ASP H H 1 8.429 0.030 . 1 . . . . 17 ASP H . 11328 1 121 . 1 1 17 17 ASP HA H 1 4.568 0.030 . 1 . . . . 17 ASP HA . 11328 1 122 . 1 1 17 17 ASP HB2 H 1 2.662 0.030 . 2 . . . . 17 ASP HB2 . 11328 1 123 . 1 1 17 17 ASP HB3 H 1 2.587 0.030 . 2 . . . . 17 ASP HB3 . 11328 1 124 . 1 1 17 17 ASP C C 13 175.794 0.300 . 1 . . . . 17 ASP C . 11328 1 125 . 1 1 17 17 ASP CA C 13 56.627 0.300 . 1 . . . . 17 ASP CA . 11328 1 126 . 1 1 17 17 ASP CB C 13 40.649 0.300 . 1 . . . . 17 ASP CB . 11328 1 127 . 1 1 17 17 ASP N N 15 118.895 0.300 . 1 . . . . 17 ASP N . 11328 1 128 . 1 1 18 18 ALA H H 1 8.439 0.030 . 1 . . . . 18 ALA H . 11328 1 129 . 1 1 18 18 ALA HA H 1 4.079 0.030 . 1 . . . . 18 ALA HA . 11328 1 130 . 1 1 18 18 ALA HB1 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1 131 . 1 1 18 18 ALA HB2 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1 132 . 1 1 18 18 ALA HB3 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1 133 . 1 1 18 18 ALA C C 13 177.002 0.300 . 1 . . . . 18 ALA C . 11328 1 134 . 1 1 18 18 ALA CA C 13 51.521 0.300 . 1 . . . . 18 ALA CA . 11328 1 135 . 1 1 18 18 ALA CB C 13 21.868 0.300 . 1 . . . . 18 ALA CB . 11328 1 136 . 1 1 18 18 ALA N N 15 122.830 0.300 . 1 . . . . 18 ALA N . 11328 1 137 . 1 1 19 19 THR H H 1 8.274 0.030 . 1 . . . . 19 THR H . 11328 1 138 . 1 1 19 19 THR HA H 1 4.990 0.030 . 1 . . . . 19 THR HA . 11328 1 139 . 1 1 19 19 THR HB H 1 4.505 0.030 . 1 . . . . 19 THR HB . 11328 1 140 . 1 1 19 19 THR HG21 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1 141 . 1 1 19 19 THR HG22 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1 142 . 1 1 19 19 THR HG23 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1 143 . 1 1 19 19 THR C C 13 175.510 0.300 . 1 . . . . 19 THR C . 11328 1 144 . 1 1 19 19 THR CA C 13 61.627 0.300 . 1 . . . . 19 THR CA . 11328 1 145 . 1 1 19 19 THR CB C 13 70.307 0.300 . 1 . . . . 19 THR CB . 11328 1 146 . 1 1 19 19 THR CG2 C 13 22.574 0.300 . 1 . . . . 19 THR CG2 . 11328 1 147 . 1 1 19 19 THR N N 15 106.035 0.300 . 1 . . . . 19 THR N . 11328 1 148 . 1 1 20 20 LEU H H 1 8.680 0.030 . 1 . . . . 20 LEU H . 11328 1 149 . 1 1 20 20 LEU HA H 1 5.061 0.030 . 1 . . . . 20 LEU HA . 11328 1 150 . 1 1 20 20 LEU HB2 H 1 1.112 0.030 . 2 . . . . 20 LEU HB2 . 11328 1 151 . 1 1 20 20 LEU HB3 H 1 1.510 0.030 . 2 . . . . 20 LEU HB3 . 11328 1 152 . 1 1 20 20 LEU HD11 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1 153 . 1 1 20 20 LEU HD12 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1 154 . 1 1 20 20 LEU HD13 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1 155 . 1 1 20 20 LEU HD21 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1 156 . 1 1 20 20 LEU HD22 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1 157 . 1 1 20 20 LEU HD23 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1 158 . 1 1 20 20 LEU HG H 1 1.539 0.030 . 1 . . . . 20 LEU HG . 11328 1 159 . 1 1 20 20 LEU C C 13 174.022 0.300 . 1 . . . . 20 LEU C . 11328 1 160 . 1 1 20 20 LEU CA C 13 54.523 0.300 . 1 . . . . 20 LEU CA . 11328 1 161 . 1 1 20 20 LEU CB C 13 46.928 0.300 . 1 . . . . 20 LEU CB . 11328 1 162 . 1 1 20 20 LEU CD1 C 13 25.657 0.300 . 2 . . . . 20 LEU CD1 . 11328 1 163 . 1 1 20 20 LEU CD2 C 13 24.000 0.300 . 2 . . . . 20 LEU CD2 . 11328 1 164 . 1 1 20 20 LEU CG C 13 25.551 0.300 . 1 . . . . 20 LEU CG . 11328 1 165 . 1 1 20 20 LEU N N 15 125.017 0.300 . 1 . . . . 20 LEU N . 11328 1 166 . 1 1 21 21 ARG H H 1 8.949 0.030 . 1 . . . . 21 ARG H . 11328 1 167 . 1 1 21 21 ARG HA H 1 4.862 0.030 . 1 . . . . 21 ARG HA . 11328 1 168 . 1 1 21 21 ARG HB2 H 1 1.363 0.030 . 2 . . . . 21 ARG HB2 . 11328 1 169 . 1 1 21 21 ARG HB3 H 1 1.644 0.030 . 2 . . . . 21 ARG HB3 . 11328 1 170 . 1 1 21 21 ARG HD2 H 1 3.008 0.030 . 2 . . . . 21 ARG HD2 . 11328 1 171 . 1 1 21 21 ARG HD3 H 1 3.189 0.030 . 2 . . . . 21 ARG HD3 . 11328 1 172 . 1 1 21 21 ARG HG2 H 1 1.116 0.030 . 2 . . . . 21 ARG HG2 . 11328 1 173 . 1 1 21 21 ARG HG3 H 1 1.441 0.030 . 2 . . . . 21 ARG HG3 . 11328 1 174 . 1 1 21 21 ARG C C 13 175.812 0.300 . 1 . . . . 21 ARG C . 11328 1 175 . 1 1 21 21 ARG CA C 13 54.643 0.300 . 1 . . . . 21 ARG CA . 11328 1 176 . 1 1 21 21 ARG CB C 13 32.985 0.300 . 1 . . . . 21 ARG CB . 11328 1 177 . 1 1 21 21 ARG CD C 13 43.698 0.300 . 1 . . . . 21 ARG CD . 11328 1 178 . 1 1 21 21 ARG CG C 13 27.356 0.300 . 1 . . . . 21 ARG CG . 11328 1 179 . 1 1 21 21 ARG N N 15 120.754 0.300 . 1 . . . . 21 ARG N . 11328 1 180 . 1 1 22 22 CYS H H 1 9.079 0.030 . 1 . . . . 22 CYS H . 11328 1 181 . 1 1 22 22 CYS HA H 1 4.800 0.030 . 1 . . . . 22 CYS HA . 11328 1 182 . 1 1 22 22 CYS HB2 H 1 2.739 0.030 . 2 . . . . 22 CYS HB2 . 11328 1 183 . 1 1 22 22 CYS HB3 H 1 3.442 0.030 . 2 . . . . 22 CYS HB3 . 11328 1 184 . 1 1 22 22 CYS C C 13 177.109 0.300 . 1 . . . . 22 CYS C . 11328 1 185 . 1 1 22 22 CYS CA C 13 58.710 0.300 . 1 . . . . 22 CYS CA . 11328 1 186 . 1 1 22 22 CYS CB C 13 30.812 0.300 . 1 . . . . 22 CYS CB . 11328 1 187 . 1 1 22 22 CYS N N 15 127.638 0.300 . 1 . . . . 22 CYS N . 11328 1 188 . 1 1 23 23 ALA H H 1 9.141 0.030 . 1 . . . . 23 ALA H . 11328 1 189 . 1 1 23 23 ALA HA H 1 4.162 0.030 . 1 . . . . 23 ALA HA . 11328 1 190 . 1 1 23 23 ALA HB1 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1 191 . 1 1 23 23 ALA HB2 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1 192 . 1 1 23 23 ALA HB3 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1 193 . 1 1 23 23 ALA C C 13 180.134 0.300 . 1 . . . . 23 ALA C . 11328 1 194 . 1 1 23 23 ALA CA C 13 54.922 0.300 . 1 . . . . 23 ALA CA . 11328 1 195 . 1 1 23 23 ALA CB C 13 18.909 0.300 . 1 . . . . 23 ALA CB . 11328 1 196 . 1 1 23 23 ALA N N 15 133.399 0.300 . 1 . . . . 23 ALA N . 11328 1 197 . 1 1 24 24 GLY H H 1 8.656 0.030 . 1 . . . . 24 GLY H . 11328 1 198 . 1 1 24 24 GLY HA2 H 1 2.517 0.030 . 2 . . . . 24 GLY HA2 . 11328 1 199 . 1 1 24 24 GLY HA3 H 1 3.910 0.030 . 2 . . . . 24 GLY HA3 . 11328 1 200 . 1 1 24 24 GLY C C 13 174.587 0.300 . 1 . . . . 24 GLY C . 11328 1 201 . 1 1 24 24 GLY CA C 13 45.585 0.300 . 1 . . . . 24 GLY CA . 11328 1 202 . 1 1 24 24 GLY N N 15 109.270 0.300 . 1 . . . . 24 GLY N . 11328 1 203 . 1 1 25 25 CYS H H 1 7.416 0.030 . 1 . . . . 25 CYS H . 11328 1 204 . 1 1 25 25 CYS HA H 1 4.727 0.030 . 1 . . . . 25 CYS HA . 11328 1 205 . 1 1 25 25 CYS HB2 H 1 2.948 0.030 . 2 . . . . 25 CYS HB2 . 11328 1 206 . 1 1 25 25 CYS HB3 H 1 3.949 0.030 . 2 . . . . 25 CYS HB3 . 11328 1 207 . 1 1 25 25 CYS C C 13 174.993 0.300 . 1 . . . . 25 CYS C . 11328 1 208 . 1 1 25 25 CYS CA C 13 59.520 0.300 . 1 . . . . 25 CYS CA . 11328 1 209 . 1 1 25 25 CYS CB C 13 29.069 0.300 . 1 . . . . 25 CYS CB . 11328 1 210 . 1 1 25 25 CYS N N 15 123.919 0.300 . 1 . . . . 25 CYS N . 11328 1 211 . 1 1 26 26 ASP H H 1 7.753 0.030 . 1 . . . . 26 ASP H . 11328 1 212 . 1 1 26 26 ASP HA H 1 4.290 0.030 . 1 . . . . 26 ASP HA . 11328 1 213 . 1 1 26 26 ASP HB2 H 1 2.554 0.030 . 2 . . . . 26 ASP HB2 . 11328 1 214 . 1 1 26 26 ASP HB3 H 1 2.983 0.030 . 2 . . . . 26 ASP HB3 . 11328 1 215 . 1 1 26 26 ASP C C 13 175.758 0.300 . 1 . . . . 26 ASP C . 11328 1 216 . 1 1 26 26 ASP CA C 13 55.544 0.300 . 1 . . . . 26 ASP CA . 11328 1 217 . 1 1 26 26 ASP CB C 13 39.770 0.300 . 1 . . . . 26 ASP CB . 11328 1 218 . 1 1 26 26 ASP N N 15 116.069 0.300 . 1 . . . . 26 ASP N . 11328 1 219 . 1 1 27 27 GLY H H 1 8.155 0.030 . 1 . . . . 27 GLY H . 11328 1 220 . 1 1 27 27 GLY HA2 H 1 3.215 0.030 . 2 . . . . 27 GLY HA2 . 11328 1 221 . 1 1 27 27 GLY HA3 H 1 4.115 0.030 . 2 . . . . 27 GLY HA3 . 11328 1 222 . 1 1 27 27 GLY C C 13 173.982 0.300 . 1 . . . . 27 GLY C . 11328 1 223 . 1 1 27 27 GLY CA C 13 45.531 0.300 . 1 . . . . 27 GLY CA . 11328 1 224 . 1 1 27 27 GLY N N 15 103.806 0.300 . 1 . . . . 27 GLY N . 11328 1 225 . 1 1 28 28 ASP H H 1 7.298 0.030 . 1 . . . . 28 ASP H . 11328 1 226 . 1 1 28 28 ASP HA H 1 4.420 0.030 . 1 . . . . 28 ASP HA . 11328 1 227 . 1 1 28 28 ASP HB2 H 1 2.711 0.030 . 1 . . . . 28 ASP HB2 . 11328 1 228 . 1 1 28 28 ASP HB3 H 1 2.711 0.030 . 1 . . . . 28 ASP HB3 . 11328 1 229 . 1 1 28 28 ASP C C 13 174.447 0.300 . 1 . . . . 28 ASP C . 11328 1 230 . 1 1 28 28 ASP CA C 13 55.534 0.300 . 1 . . . . 28 ASP CA . 11328 1 231 . 1 1 28 28 ASP CB C 13 41.553 0.300 . 1 . . . . 28 ASP CB . 11328 1 232 . 1 1 28 28 ASP N N 15 121.343 0.300 . 1 . . . . 28 ASP N . 11328 1 233 . 1 1 29 29 LEU H H 1 8.091 0.030 . 1 . . . . 29 LEU H . 11328 1 234 . 1 1 29 29 LEU HA H 1 5.047 0.030 . 1 . . . . 29 LEU HA . 11328 1 235 . 1 1 29 29 LEU HB2 H 1 0.700 0.030 . 2 . . . . 29 LEU HB2 . 11328 1 236 . 1 1 29 29 LEU HB3 H 1 1.610 0.030 . 2 . . . . 29 LEU HB3 . 11328 1 237 . 1 1 29 29 LEU HD11 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1 238 . 1 1 29 29 LEU HD12 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1 239 . 1 1 29 29 LEU HD13 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1 240 . 1 1 29 29 LEU HD21 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1 241 . 1 1 29 29 LEU HD22 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1 242 . 1 1 29 29 LEU HD23 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1 243 . 1 1 29 29 LEU HG H 1 1.491 0.030 . 1 . . . . 29 LEU HG . 11328 1 244 . 1 1 29 29 LEU C C 13 176.801 0.300 . 1 . . . . 29 LEU C . 11328 1 245 . 1 1 29 29 LEU CA C 13 52.925 0.300 . 1 . . . . 29 LEU CA . 11328 1 246 . 1 1 29 29 LEU CB C 13 43.110 0.300 . 1 . . . . 29 LEU CB . 11328 1 247 . 1 1 29 29 LEU CD1 C 13 25.304 0.300 . 2 . . . . 29 LEU CD1 . 11328 1 248 . 1 1 29 29 LEU CD2 C 13 22.845 0.300 . 2 . . . . 29 LEU CD2 . 11328 1 249 . 1 1 29 29 LEU CG C 13 26.417 0.300 . 1 . . . . 29 LEU CG . 11328 1 250 . 1 1 29 29 LEU N N 15 118.520 0.300 . 1 . . . . 29 LEU N . 11328 1 251 . 1 1 30 30 TYR H H 1 9.101 0.030 . 1 . . . . 30 TYR H . 11328 1 252 . 1 1 30 30 TYR HA H 1 6.195 0.030 . 1 . . . . 30 TYR HA . 11328 1 253 . 1 1 30 30 TYR HB2 H 1 2.487 0.030 . 2 . . . . 30 TYR HB2 . 11328 1 254 . 1 1 30 30 TYR HB3 H 1 3.926 0.030 . 2 . . . . 30 TYR HB3 . 11328 1 255 . 1 1 30 30 TYR HD1 H 1 7.074 0.030 . 1 . . . . 30 TYR HD1 . 11328 1 256 . 1 1 30 30 TYR HD2 H 1 7.074 0.030 . 1 . . . . 30 TYR HD2 . 11328 1 257 . 1 1 30 30 TYR HE1 H 1 6.812 0.030 . 1 . . . . 30 TYR HE1 . 11328 1 258 . 1 1 30 30 TYR HE2 H 1 6.812 0.030 . 1 . . . . 30 TYR HE2 . 11328 1 259 . 1 1 30 30 TYR C C 13 177.381 0.300 . 1 . . . . 30 TYR C . 11328 1 260 . 1 1 30 30 TYR CA C 13 57.293 0.300 . 1 . . . . 30 TYR CA . 11328 1 261 . 1 1 30 30 TYR CB C 13 45.963 0.300 . 1 . . . . 30 TYR CB . 11328 1 262 . 1 1 30 30 TYR CD1 C 13 133.372 0.300 . 1 . . . . 30 TYR CD1 . 11328 1 263 . 1 1 30 30 TYR CD2 C 13 133.372 0.300 . 1 . . . . 30 TYR CD2 . 11328 1 264 . 1 1 30 30 TYR CE1 C 13 119.216 0.300 . 1 . . . . 30 TYR CE1 . 11328 1 265 . 1 1 30 30 TYR CE2 C 13 119.216 0.300 . 1 . . . . 30 TYR CE2 . 11328 1 266 . 1 1 30 30 TYR N N 15 117.442 0.300 . 1 . . . . 30 TYR N . 11328 1 267 . 1 1 31 31 CYS H H 1 9.496 0.030 . 1 . . . . 31 CYS H . 11328 1 268 . 1 1 31 31 CYS HA H 1 5.253 0.030 . 1 . . . . 31 CYS HA . 11328 1 269 . 1 1 31 31 CYS HB2 H 1 3.167 0.030 . 2 . . . . 31 CYS HB2 . 11328 1 270 . 1 1 31 31 CYS HB3 H 1 3.539 0.030 . 2 . . . . 31 CYS HB3 . 11328 1 271 . 1 1 31 31 CYS C C 13 175.562 0.300 . 1 . . . . 31 CYS C . 11328 1 272 . 1 1 31 31 CYS CA C 13 57.967 0.300 . 1 . . . . 31 CYS CA . 11328 1 273 . 1 1 31 31 CYS CB C 13 31.276 0.300 . 1 . . . . 31 CYS CB . 11328 1 274 . 1 1 31 31 CYS N N 15 118.998 0.300 . 1 . . . . 31 CYS N . 11328 1 275 . 1 1 32 32 ALA H H 1 8.743 0.030 . 1 . . . . 32 ALA H . 11328 1 276 . 1 1 32 32 ALA HA H 1 3.939 0.030 . 1 . . . . 32 ALA HA . 11328 1 277 . 1 1 32 32 ALA HB1 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1 278 . 1 1 32 32 ALA HB2 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1 279 . 1 1 32 32 ALA HB3 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1 280 . 1 1 32 32 ALA C C 13 180.204 0.300 . 1 . . . . 32 ALA C . 11328 1 281 . 1 1 32 32 ALA CA C 13 56.062 0.300 . 1 . . . . 32 ALA CA . 11328 1 282 . 1 1 32 32 ALA CB C 13 18.297 0.300 . 1 . . . . 32 ALA CB . 11328 1 283 . 1 1 32 32 ALA N N 15 122.627 0.300 . 1 . . . . 32 ALA N . 11328 1 284 . 1 1 33 33 ARG H H 1 8.347 0.030 . 1 . . . . 33 ARG H . 11328 1 285 . 1 1 33 33 ARG HA H 1 4.052 0.030 . 1 . . . . 33 ARG HA . 11328 1 286 . 1 1 33 33 ARG HB2 H 1 1.972 0.030 . 2 . . . . 33 ARG HB2 . 11328 1 287 . 1 1 33 33 ARG HB3 H 1 2.178 0.030 . 2 . . . . 33 ARG HB3 . 11328 1 288 . 1 1 33 33 ARG HD2 H 1 3.217 0.030 . 2 . . . . 33 ARG HD2 . 11328 1 289 . 1 1 33 33 ARG HD3 H 1 3.070 0.030 . 2 . . . . 33 ARG HD3 . 11328 1 290 . 1 1 33 33 ARG HE H 1 7.440 0.030 . 1 . . . . 33 ARG HE . 11328 1 291 . 1 1 33 33 ARG HG2 H 1 1.810 0.030 . 2 . . . . 33 ARG HG2 . 11328 1 292 . 1 1 33 33 ARG HG3 H 1 1.491 0.030 . 2 . . . . 33 ARG HG3 . 11328 1 293 . 1 1 33 33 ARG C C 13 178.848 0.300 . 1 . . . . 33 ARG C . 11328 1 294 . 1 1 33 33 ARG CA C 13 59.800 0.300 . 1 . . . . 33 ARG CA . 11328 1 295 . 1 1 33 33 ARG CB C 13 29.315 0.300 . 1 . . . . 33 ARG CB . 11328 1 296 . 1 1 33 33 ARG CD C 13 42.583 0.300 . 1 . . . . 33 ARG CD . 11328 1 297 . 1 1 33 33 ARG CG C 13 26.383 0.300 . 1 . . . . 33 ARG CG . 11328 1 298 . 1 1 33 33 ARG N N 15 120.352 0.300 . 1 . . . . 33 ARG N . 11328 1 299 . 1 1 33 33 ARG NE N 15 84.903 0.300 . 1 . . . . 33 ARG NE . 11328 1 300 . 1 1 34 34 CYS H H 1 9.232 0.030 . 1 . . . . 34 CYS H . 11328 1 301 . 1 1 34 34 CYS HA H 1 3.968 0.030 . 1 . . . . 34 CYS HA . 11328 1 302 . 1 1 34 34 CYS HB2 H 1 3.236 0.030 . 2 . . . . 34 CYS HB2 . 11328 1 303 . 1 1 34 34 CYS HB3 H 1 3.175 0.030 . 2 . . . . 34 CYS HB3 . 11328 1 304 . 1 1 34 34 CYS C C 13 179.893 0.300 . 1 . . . . 34 CYS C . 11328 1 305 . 1 1 34 34 CYS CA C 13 64.304 0.300 . 1 . . . . 34 CYS CA . 11328 1 306 . 1 1 34 34 CYS CB C 13 30.642 0.300 . 1 . . . . 34 CYS CB . 11328 1 307 . 1 1 34 34 CYS N N 15 123.391 0.300 . 1 . . . . 34 CYS N . 11328 1 308 . 1 1 35 35 PHE H H 1 8.746 0.030 . 1 . . . . 35 PHE H . 11328 1 309 . 1 1 35 35 PHE HA H 1 3.256 0.030 . 1 . . . . 35 PHE HA . 11328 1 310 . 1 1 35 35 PHE HB2 H 1 2.794 0.030 . 2 . . . . 35 PHE HB2 . 11328 1 311 . 1 1 35 35 PHE HB3 H 1 2.918 0.030 . 2 . . . . 35 PHE HB3 . 11328 1 312 . 1 1 35 35 PHE HD1 H 1 6.361 0.030 . 1 . . . . 35 PHE HD1 . 11328 1 313 . 1 1 35 35 PHE HD2 H 1 6.361 0.030 . 1 . . . . 35 PHE HD2 . 11328 1 314 . 1 1 35 35 PHE HE1 H 1 6.912 0.030 . 1 . . . . 35 PHE HE1 . 11328 1 315 . 1 1 35 35 PHE HE2 H 1 6.912 0.030 . 1 . . . . 35 PHE HE2 . 11328 1 316 . 1 1 35 35 PHE HZ H 1 6.834 0.030 . 1 . . . . 35 PHE HZ . 11328 1 317 . 1 1 35 35 PHE C C 13 177.728 0.300 . 1 . . . . 35 PHE C . 11328 1 318 . 1 1 35 35 PHE CA C 13 63.162 0.300 . 1 . . . . 35 PHE CA . 11328 1 319 . 1 1 35 35 PHE CB C 13 39.339 0.300 . 1 . . . . 35 PHE CB . 11328 1 320 . 1 1 35 35 PHE CD1 C 13 130.218 0.300 . 1 . . . . 35 PHE CD1 . 11328 1 321 . 1 1 35 35 PHE CD2 C 13 130.218 0.300 . 1 . . . . 35 PHE CD2 . 11328 1 322 . 1 1 35 35 PHE CE1 C 13 131.517 0.300 . 1 . . . . 35 PHE CE1 . 11328 1 323 . 1 1 35 35 PHE CE2 C 13 131.517 0.300 . 1 . . . . 35 PHE CE2 . 11328 1 324 . 1 1 35 35 PHE CZ C 13 130.310 0.300 . 1 . . . . 35 PHE CZ . 11328 1 325 . 1 1 35 35 PHE N N 15 119.737 0.300 . 1 . . . . 35 PHE N . 11328 1 326 . 1 1 36 36 ARG H H 1 7.812 0.030 . 1 . . . . 36 ARG H . 11328 1 327 . 1 1 36 36 ARG HA H 1 3.822 0.030 . 1 . . . . 36 ARG HA . 11328 1 328 . 1 1 36 36 ARG HB2 H 1 2.015 0.030 . 1 . . . . 36 ARG HB2 . 11328 1 329 . 1 1 36 36 ARG HB3 H 1 2.015 0.030 . 1 . . . . 36 ARG HB3 . 11328 1 330 . 1 1 36 36 ARG HD2 H 1 3.257 0.030 . 1 . . . . 36 ARG HD2 . 11328 1 331 . 1 1 36 36 ARG HD3 H 1 3.257 0.030 . 1 . . . . 36 ARG HD3 . 11328 1 332 . 1 1 36 36 ARG HG2 H 1 1.688 0.030 . 2 . . . . 36 ARG HG2 . 11328 1 333 . 1 1 36 36 ARG HG3 H 1 1.784 0.030 . 2 . . . . 36 ARG HG3 . 11328 1 334 . 1 1 36 36 ARG C C 13 178.895 0.300 . 1 . . . . 36 ARG C . 11328 1 335 . 1 1 36 36 ARG CA C 13 59.239 0.300 . 1 . . . . 36 ARG CA . 11328 1 336 . 1 1 36 36 ARG CB C 13 29.857 0.300 . 1 . . . . 36 ARG CB . 11328 1 337 . 1 1 36 36 ARG CD C 13 43.355 0.300 . 1 . . . . 36 ARG CD . 11328 1 338 . 1 1 36 36 ARG CG C 13 27.195 0.300 . 1 . . . . 36 ARG CG . 11328 1 339 . 1 1 36 36 ARG N N 15 119.301 0.300 . 1 . . . . 36 ARG N . 11328 1 340 . 1 1 37 37 GLU H H 1 8.110 0.030 . 1 . . . . 37 GLU H . 11328 1 341 . 1 1 37 37 GLU HA H 1 3.981 0.030 . 1 . . . . 37 GLU HA . 11328 1 342 . 1 1 37 37 GLU HB2 H 1 1.928 0.030 . 2 . . . . 37 GLU HB2 . 11328 1 343 . 1 1 37 37 GLU HB3 H 1 2.006 0.030 . 2 . . . . 37 GLU HB3 . 11328 1 344 . 1 1 37 37 GLU HG2 H 1 2.469 0.030 . 2 . . . . 37 GLU HG2 . 11328 1 345 . 1 1 37 37 GLU HG3 H 1 2.240 0.030 . 2 . . . . 37 GLU HG3 . 11328 1 346 . 1 1 37 37 GLU C C 13 178.678 0.300 . 1 . . . . 37 GLU C . 11328 1 347 . 1 1 37 37 GLU CA C 13 58.781 0.300 . 1 . . . . 37 GLU CA . 11328 1 348 . 1 1 37 37 GLU CB C 13 29.763 0.300 . 1 . . . . 37 GLU CB . 11328 1 349 . 1 1 37 37 GLU CG C 13 36.645 0.300 . 1 . . . . 37 GLU CG . 11328 1 350 . 1 1 37 37 GLU N N 15 116.713 0.300 . 1 . . . . 37 GLU N . 11328 1 351 . 1 1 38 38 GLY H H 1 7.754 0.030 . 1 . . . . 38 GLY H . 11328 1 352 . 1 1 38 38 GLY HA2 H 1 3.474 0.030 . 2 . . . . 38 GLY HA2 . 11328 1 353 . 1 1 38 38 GLY HA3 H 1 4.051 0.030 . 2 . . . . 38 GLY HA3 . 11328 1 354 . 1 1 38 38 GLY C C 13 174.005 0.300 . 1 . . . . 38 GLY C . 11328 1 355 . 1 1 38 38 GLY CA C 13 45.300 0.300 . 1 . . . . 38 GLY CA . 11328 1 356 . 1 1 38 38 GLY N N 15 103.860 0.300 . 1 . . . . 38 GLY N . 11328 1 357 . 1 1 39 39 HIS H H 1 7.089 0.030 . 1 . . . . 39 HIS H . 11328 1 358 . 1 1 39 39 HIS HA H 1 4.009 0.030 . 1 . . . . 39 HIS HA . 11328 1 359 . 1 1 39 39 HIS HB2 H 1 1.881 0.030 . 2 . . . . 39 HIS HB2 . 11328 1 360 . 1 1 39 39 HIS HB3 H 1 2.770 0.030 . 2 . . . . 39 HIS HB3 . 11328 1 361 . 1 1 39 39 HIS HD2 H 1 5.988 0.030 . 1 . . . . 39 HIS HD2 . 11328 1 362 . 1 1 39 39 HIS HE1 H 1 6.578 0.030 . 1 . . . . 39 HIS HE1 . 11328 1 363 . 1 1 39 39 HIS C C 13 174.149 0.300 . 1 . . . . 39 HIS C . 11328 1 364 . 1 1 39 39 HIS CA C 13 56.010 0.300 . 1 . . . . 39 HIS CA . 11328 1 365 . 1 1 39 39 HIS CB C 13 27.315 0.300 . 1 . . . . 39 HIS CB . 11328 1 366 . 1 1 39 39 HIS CD2 C 13 125.449 0.300 . 1 . . . . 39 HIS CD2 . 11328 1 367 . 1 1 39 39 HIS CE1 C 13 137.734 0.300 . 1 . . . . 39 HIS CE1 . 11328 1 368 . 1 1 39 39 HIS N N 15 116.223 0.300 . 1 . . . . 39 HIS N . 11328 1 369 . 1 1 40 40 ASP H H 1 7.532 0.030 . 1 . . . . 40 ASP H . 11328 1 370 . 1 1 40 40 ASP HA H 1 4.460 0.030 . 1 . . . . 40 ASP HA . 11328 1 371 . 1 1 40 40 ASP HB2 H 1 2.607 0.030 . 2 . . . . 40 ASP HB2 . 11328 1 372 . 1 1 40 40 ASP HB3 H 1 2.532 0.030 . 2 . . . . 40 ASP HB3 . 11328 1 373 . 1 1 40 40 ASP C C 13 176.193 0.300 . 1 . . . . 40 ASP C . 11328 1 374 . 1 1 40 40 ASP CA C 13 55.321 0.300 . 1 . . . . 40 ASP CA . 11328 1 375 . 1 1 40 40 ASP CB C 13 40.828 0.300 . 1 . . . . 40 ASP CB . 11328 1 376 . 1 1 40 40 ASP N N 15 120.750 0.300 . 1 . . . . 40 ASP N . 11328 1 377 . 1 1 41 41 ASN H H 1 8.015 0.030 . 1 . . . . 41 ASN H . 11328 1 378 . 1 1 41 41 ASN HA H 1 4.588 0.030 . 1 . . . . 41 ASN HA . 11328 1 379 . 1 1 41 41 ASN HB2 H 1 2.671 0.030 . 2 . . . . 41 ASN HB2 . 11328 1 380 . 1 1 41 41 ASN HB3 H 1 2.548 0.030 . 2 . . . . 41 ASN HB3 . 11328 1 381 . 1 1 41 41 ASN HD21 H 1 6.708 0.030 . 2 . . . . 41 ASN HD21 . 11328 1 382 . 1 1 41 41 ASN HD22 H 1 7.403 0.030 . 2 . . . . 41 ASN HD22 . 11328 1 383 . 1 1 41 41 ASN C C 13 175.139 0.300 . 1 . . . . 41 ASN C . 11328 1 384 . 1 1 41 41 ASN CA C 13 53.341 0.300 . 1 . . . . 41 ASN CA . 11328 1 385 . 1 1 41 41 ASN CB C 13 39.070 0.300 . 1 . . . . 41 ASN CB . 11328 1 386 . 1 1 41 41 ASN N N 15 116.123 0.300 . 1 . . . . 41 ASN N . 11328 1 387 . 1 1 41 41 ASN ND2 N 15 113.316 0.300 . 1 . . . . 41 ASN ND2 . 11328 1 388 . 1 1 42 42 PHE H H 1 7.896 0.030 . 1 . . . . 42 PHE H . 11328 1 389 . 1 1 42 42 PHE HA H 1 4.563 0.030 . 1 . . . . 42 PHE HA . 11328 1 390 . 1 1 42 42 PHE HB2 H 1 2.808 0.030 . 2 . . . . 42 PHE HB2 . 11328 1 391 . 1 1 42 42 PHE HB3 H 1 2.964 0.030 . 2 . . . . 42 PHE HB3 . 11328 1 392 . 1 1 42 42 PHE HD1 H 1 6.896 0.030 . 1 . . . . 42 PHE HD1 . 11328 1 393 . 1 1 42 42 PHE HD2 H 1 6.896 0.030 . 1 . . . . 42 PHE HD2 . 11328 1 394 . 1 1 42 42 PHE HE1 H 1 7.156 0.030 . 1 . . . . 42 PHE HE1 . 11328 1 395 . 1 1 42 42 PHE HE2 H 1 7.156 0.030 . 1 . . . . 42 PHE HE2 . 11328 1 396 . 1 1 42 42 PHE HZ H 1 7.209 0.030 . 1 . . . . 42 PHE HZ . 11328 1 397 . 1 1 42 42 PHE C C 13 175.557 0.300 . 1 . . . . 42 PHE C . 11328 1 398 . 1 1 42 42 PHE CA C 13 57.533 0.300 . 1 . . . . 42 PHE CA . 11328 1 399 . 1 1 42 42 PHE CB C 13 39.785 0.300 . 1 . . . . 42 PHE CB . 11328 1 400 . 1 1 42 42 PHE CD1 C 13 131.041 0.300 . 1 . . . . 42 PHE CD1 . 11328 1 401 . 1 1 42 42 PHE CD2 C 13 131.041 0.300 . 1 . . . . 42 PHE CD2 . 11328 1 402 . 1 1 42 42 PHE CE1 C 13 131.260 0.300 . 1 . . . . 42 PHE CE1 . 11328 1 403 . 1 1 42 42 PHE CE2 C 13 131.260 0.300 . 1 . . . . 42 PHE CE2 . 11328 1 404 . 1 1 42 42 PHE CZ C 13 129.836 0.300 . 1 . . . . 42 PHE CZ . 11328 1 405 . 1 1 42 42 PHE N N 15 118.763 0.300 . 1 . . . . 42 PHE N . 11328 1 406 . 1 1 43 43 ASP H H 1 8.429 0.030 . 1 . . . . 43 ASP H . 11328 1 407 . 1 1 43 43 ASP HA H 1 4.595 0.030 . 1 . . . . 43 ASP HA . 11328 1 408 . 1 1 43 43 ASP HB2 H 1 2.604 0.030 . 2 . . . . 43 ASP HB2 . 11328 1 409 . 1 1 43 43 ASP HB3 H 1 2.791 0.030 . 2 . . . . 43 ASP HB3 . 11328 1 410 . 1 1 43 43 ASP C C 13 177.739 0.300 . 1 . . . . 43 ASP C . 11328 1 411 . 1 1 43 43 ASP CA C 13 54.719 0.300 . 1 . . . . 43 ASP CA . 11328 1 412 . 1 1 43 43 ASP CB C 13 40.851 0.300 . 1 . . . . 43 ASP CB . 11328 1 413 . 1 1 43 43 ASP N N 15 119.003 0.300 . 1 . . . . 43 ASP N . 11328 1 414 . 1 1 44 44 LEU H H 1 8.418 0.030 . 1 . . . . 44 LEU H . 11328 1 415 . 1 1 44 44 LEU HA H 1 4.017 0.030 . 1 . . . . 44 LEU HA . 11328 1 416 . 1 1 44 44 LEU HB2 H 1 1.592 0.030 . 2 . . . . 44 LEU HB2 . 11328 1 417 . 1 1 44 44 LEU HB3 H 1 1.453 0.030 . 2 . . . . 44 LEU HB3 . 11328 1 418 . 1 1 44 44 LEU HD11 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1 419 . 1 1 44 44 LEU HD12 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1 420 . 1 1 44 44 LEU HD13 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1 421 . 1 1 44 44 LEU HD21 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1 422 . 1 1 44 44 LEU HD22 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1 423 . 1 1 44 44 LEU HD23 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1 424 . 1 1 44 44 LEU HG H 1 1.704 0.030 . 1 . . . . 44 LEU HG . 11328 1 425 . 1 1 44 44 LEU C C 13 178.611 0.300 . 1 . . . . 44 LEU C . 11328 1 426 . 1 1 44 44 LEU CA C 13 56.726 0.300 . 1 . . . . 44 LEU CA . 11328 1 427 . 1 1 44 44 LEU CB C 13 41.297 0.300 . 1 . . . . 44 LEU CB . 11328 1 428 . 1 1 44 44 LEU CD1 C 13 22.845 0.300 . 2 . . . . 44 LEU CD1 . 11328 1 429 . 1 1 44 44 LEU CD2 C 13 25.302 0.300 . 2 . . . . 44 LEU CD2 . 11328 1 430 . 1 1 44 44 LEU CG C 13 27.137 0.300 . 1 . . . . 44 LEU CG . 11328 1 431 . 1 1 44 44 LEU N N 15 123.907 0.300 . 1 . . . . 44 LEU N . 11328 1 432 . 1 1 45 45 LYS H H 1 8.162 0.030 . 1 . . . . 45 LYS H . 11328 1 433 . 1 1 45 45 LYS HA H 1 4.110 0.030 . 1 . . . . 45 LYS HA . 11328 1 434 . 1 1 45 45 LYS HB2 H 1 1.940 0.030 . 2 . . . . 45 LYS HB2 . 11328 1 435 . 1 1 45 45 LYS HB3 H 1 1.857 0.030 . 2 . . . . 45 LYS HB3 . 11328 1 436 . 1 1 45 45 LYS HD2 H 1 1.684 0.030 . 1 . . . . 45 LYS HD2 . 11328 1 437 . 1 1 45 45 LYS HD3 H 1 1.684 0.030 . 1 . . . . 45 LYS HD3 . 11328 1 438 . 1 1 45 45 LYS HE2 H 1 2.980 0.030 . 1 . . . . 45 LYS HE2 . 11328 1 439 . 1 1 45 45 LYS HE3 H 1 2.980 0.030 . 1 . . . . 45 LYS HE3 . 11328 1 440 . 1 1 45 45 LYS HG2 H 1 1.450 0.030 . 1 . . . . 45 LYS HG2 . 11328 1 441 . 1 1 45 45 LYS HG3 H 1 1.450 0.030 . 1 . . . . 45 LYS HG3 . 11328 1 442 . 1 1 45 45 LYS C C 13 177.921 0.300 . 1 . . . . 45 LYS C . 11328 1 443 . 1 1 45 45 LYS CA C 13 58.857 0.300 . 1 . . . . 45 LYS CA . 11328 1 444 . 1 1 45 45 LYS CB C 13 31.952 0.300 . 1 . . . . 45 LYS CB . 11328 1 445 . 1 1 45 45 LYS CD C 13 29.128 0.300 . 1 . . . . 45 LYS CD . 11328 1 446 . 1 1 45 45 LYS CE C 13 41.956 0.300 . 1 . . . . 45 LYS CE . 11328 1 447 . 1 1 45 45 LYS CG C 13 24.924 0.300 . 1 . . . . 45 LYS CG . 11328 1 448 . 1 1 45 45 LYS N N 15 118.892 0.300 . 1 . . . . 45 LYS N . 11328 1 449 . 1 1 46 46 GLU H H 1 7.894 0.030 . 1 . . . . 46 GLU H . 11328 1 450 . 1 1 46 46 GLU HA H 1 4.362 0.030 . 1 . . . . 46 GLU HA . 11328 1 451 . 1 1 46 46 GLU HB2 H 1 2.029 0.030 . 2 . . . . 46 GLU HB2 . 11328 1 452 . 1 1 46 46 GLU HB3 H 1 2.235 0.030 . 2 . . . . 46 GLU HB3 . 11328 1 453 . 1 1 46 46 GLU HG2 H 1 2.148 0.030 . 2 . . . . 46 GLU HG2 . 11328 1 454 . 1 1 46 46 GLU HG3 H 1 2.304 0.030 . 2 . . . . 46 GLU HG3 . 11328 1 455 . 1 1 46 46 GLU C C 13 177.262 0.300 . 1 . . . . 46 GLU C . 11328 1 456 . 1 1 46 46 GLU CA C 13 56.344 0.300 . 1 . . . . 46 GLU CA . 11328 1 457 . 1 1 46 46 GLU CB C 13 29.957 0.300 . 1 . . . . 46 GLU CB . 11328 1 458 . 1 1 46 46 GLU CG C 13 36.317 0.300 . 1 . . . . 46 GLU CG . 11328 1 459 . 1 1 46 46 GLU N N 15 116.576 0.300 . 1 . . . . 46 GLU N . 11328 1 460 . 1 1 47 47 HIS H H 1 8.154 0.030 . 1 . . . . 47 HIS H . 11328 1 461 . 1 1 47 47 HIS HA H 1 4.265 0.030 . 1 . . . . 47 HIS HA . 11328 1 462 . 1 1 47 47 HIS HB2 H 1 3.058 0.030 . 2 . . . . 47 HIS HB2 . 11328 1 463 . 1 1 47 47 HIS HB3 H 1 3.541 0.030 . 2 . . . . 47 HIS HB3 . 11328 1 464 . 1 1 47 47 HIS HD2 H 1 7.368 0.030 . 1 . . . . 47 HIS HD2 . 11328 1 465 . 1 1 47 47 HIS HE1 H 1 7.758 0.030 . 1 . . . . 47 HIS HE1 . 11328 1 466 . 1 1 47 47 HIS C C 13 173.541 0.300 . 1 . . . . 47 HIS C . 11328 1 467 . 1 1 47 47 HIS CA C 13 56.175 0.300 . 1 . . . . 47 HIS CA . 11328 1 468 . 1 1 47 47 HIS CB C 13 31.117 0.300 . 1 . . . . 47 HIS CB . 11328 1 469 . 1 1 47 47 HIS CD2 C 13 119.058 0.300 . 1 . . . . 47 HIS CD2 . 11328 1 470 . 1 1 47 47 HIS CE1 C 13 140.759 0.300 . 1 . . . . 47 HIS CE1 . 11328 1 471 . 1 1 47 47 HIS N N 15 121.973 0.300 . 1 . . . . 47 HIS N . 11328 1 472 . 1 1 48 48 GLN H H 1 8.025 0.030 . 1 . . . . 48 GLN H . 11328 1 473 . 1 1 48 48 GLN HA H 1 4.422 0.030 . 1 . . . . 48 GLN HA . 11328 1 474 . 1 1 48 48 GLN HB2 H 1 2.099 0.030 . 2 . . . . 48 GLN HB2 . 11328 1 475 . 1 1 48 48 GLN HB3 H 1 1.951 0.030 . 2 . . . . 48 GLN HB3 . 11328 1 476 . 1 1 48 48 GLN HE21 H 1 7.624 0.030 . 2 . . . . 48 GLN HE21 . 11328 1 477 . 1 1 48 48 GLN HE22 H 1 6.906 0.030 . 2 . . . . 48 GLN HE22 . 11328 1 478 . 1 1 48 48 GLN HG2 H 1 2.406 0.030 . 1 . . . . 48 GLN HG2 . 11328 1 479 . 1 1 48 48 GLN HG3 H 1 2.406 0.030 . 1 . . . . 48 GLN HG3 . 11328 1 480 . 1 1 48 48 GLN C C 13 175.916 0.300 . 1 . . . . 48 GLN C . 11328 1 481 . 1 1 48 48 GLN CA C 13 55.592 0.300 . 1 . . . . 48 GLN CA . 11328 1 482 . 1 1 48 48 GLN CB C 13 29.889 0.300 . 1 . . . . 48 GLN CB . 11328 1 483 . 1 1 48 48 GLN CG C 13 34.063 0.300 . 1 . . . . 48 GLN CG . 11328 1 484 . 1 1 48 48 GLN N N 15 120.436 0.300 . 1 . . . . 48 GLN N . 11328 1 485 . 1 1 48 48 GLN NE2 N 15 113.752 0.300 . 1 . . . . 48 GLN NE2 . 11328 1 486 . 1 1 49 49 THR H H 1 8.296 0.030 . 1 . . . . 49 THR H . 11328 1 487 . 1 1 49 49 THR HA H 1 5.462 0.030 . 1 . . . . 49 THR HA . 11328 1 488 . 1 1 49 49 THR HB H 1 3.814 0.030 . 1 . . . . 49 THR HB . 11328 1 489 . 1 1 49 49 THR HG21 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1 490 . 1 1 49 49 THR HG22 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1 491 . 1 1 49 49 THR HG23 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1 492 . 1 1 49 49 THR C C 13 174.613 0.300 . 1 . . . . 49 THR C . 11328 1 493 . 1 1 49 49 THR CA C 13 59.305 0.300 . 1 . . . . 49 THR CA . 11328 1 494 . 1 1 49 49 THR CB C 13 72.049 0.300 . 1 . . . . 49 THR CB . 11328 1 495 . 1 1 49 49 THR CG2 C 13 23.317 0.300 . 1 . . . . 49 THR CG2 . 11328 1 496 . 1 1 49 49 THR N N 15 113.240 0.300 . 1 . . . . 49 THR N . 11328 1 497 . 1 1 50 50 SER H H 1 8.500 0.030 . 1 . . . . 50 SER H . 11328 1 498 . 1 1 50 50 SER HA H 1 4.958 0.030 . 1 . . . . 50 SER HA . 11328 1 499 . 1 1 50 50 SER HB2 H 1 3.872 0.030 . 2 . . . . 50 SER HB2 . 11328 1 500 . 1 1 50 50 SER HB3 H 1 3.785 0.030 . 2 . . . . 50 SER HB3 . 11328 1 501 . 1 1 50 50 SER C C 13 171.269 0.300 . 1 . . . . 50 SER C . 11328 1 502 . 1 1 50 50 SER CA C 13 55.659 0.300 . 1 . . . . 50 SER CA . 11328 1 503 . 1 1 50 50 SER CB C 13 64.731 0.300 . 1 . . . . 50 SER CB . 11328 1 504 . 1 1 50 50 SER N N 15 113.893 0.300 . 1 . . . . 50 SER N . 11328 1 505 . 1 1 51 51 PRO HA H 1 4.526 0.030 . 1 . . . . 51 PRO HA . 11328 1 506 . 1 1 51 51 PRO HB2 H 1 1.672 0.030 . 2 . . . . 51 PRO HB2 . 11328 1 507 . 1 1 51 51 PRO HB3 H 1 2.294 0.030 . 2 . . . . 51 PRO HB3 . 11328 1 508 . 1 1 51 51 PRO HD2 H 1 3.653 0.030 . 2 . . . . 51 PRO HD2 . 11328 1 509 . 1 1 51 51 PRO HD3 H 1 3.816 0.030 . 2 . . . . 51 PRO HD3 . 11328 1 510 . 1 1 51 51 PRO HG2 H 1 2.083 0.030 . 2 . . . . 51 PRO HG2 . 11328 1 511 . 1 1 51 51 PRO HG3 H 1 1.978 0.030 . 2 . . . . 51 PRO HG3 . 11328 1 512 . 1 1 51 51 PRO C C 13 176.041 0.300 . 1 . . . . 51 PRO C . 11328 1 513 . 1 1 51 51 PRO CA C 13 62.961 0.300 . 1 . . . . 51 PRO CA . 11328 1 514 . 1 1 51 51 PRO CB C 13 32.279 0.300 . 1 . . . . 51 PRO CB . 11328 1 515 . 1 1 51 51 PRO CD C 13 50.670 0.300 . 1 . . . . 51 PRO CD . 11328 1 516 . 1 1 51 51 PRO CG C 13 27.634 0.300 . 1 . . . . 51 PRO CG . 11328 1 517 . 1 1 52 52 TYR H H 1 7.820 0.030 . 1 . . . . 52 TYR H . 11328 1 518 . 1 1 52 52 TYR HA H 1 4.421 0.030 . 1 . . . . 52 TYR HA . 11328 1 519 . 1 1 52 52 TYR HB2 H 1 2.188 0.030 . 2 . . . . 52 TYR HB2 . 11328 1 520 . 1 1 52 52 TYR HB3 H 1 2.398 0.030 . 2 . . . . 52 TYR HB3 . 11328 1 521 . 1 1 52 52 TYR HD1 H 1 6.764 0.030 . 1 . . . . 52 TYR HD1 . 11328 1 522 . 1 1 52 52 TYR HD2 H 1 6.764 0.030 . 1 . . . . 52 TYR HD2 . 11328 1 523 . 1 1 52 52 TYR HE1 H 1 6.615 0.030 . 1 . . . . 52 TYR HE1 . 11328 1 524 . 1 1 52 52 TYR HE2 H 1 6.615 0.030 . 1 . . . . 52 TYR HE2 . 11328 1 525 . 1 1 52 52 TYR C C 13 173.133 0.300 . 1 . . . . 52 TYR C . 11328 1 526 . 1 1 52 52 TYR CA C 13 57.194 0.300 . 1 . . . . 52 TYR CA . 11328 1 527 . 1 1 52 52 TYR CB C 13 40.751 0.300 . 1 . . . . 52 TYR CB . 11328 1 528 . 1 1 52 52 TYR CD1 C 13 132.920 0.300 . 1 . . . . 52 TYR CD1 . 11328 1 529 . 1 1 52 52 TYR CD2 C 13 132.920 0.300 . 1 . . . . 52 TYR CD2 . 11328 1 530 . 1 1 52 52 TYR CE1 C 13 118.317 0.300 . 1 . . . . 52 TYR CE1 . 11328 1 531 . 1 1 52 52 TYR CE2 C 13 118.317 0.300 . 1 . . . . 52 TYR CE2 . 11328 1 532 . 1 1 52 52 TYR N N 15 124.116 0.300 . 1 . . . . 52 TYR N . 11328 1 533 . 1 1 53 53 HIS H H 1 7.666 0.030 . 1 . . . . 53 HIS H . 11328 1 534 . 1 1 53 53 HIS HA H 1 4.764 0.030 . 1 . . . . 53 HIS HA . 11328 1 535 . 1 1 53 53 HIS HB2 H 1 2.886 0.030 . 2 . . . . 53 HIS HB2 . 11328 1 536 . 1 1 53 53 HIS HB3 H 1 2.756 0.030 . 2 . . . . 53 HIS HB3 . 11328 1 537 . 1 1 53 53 HIS HD2 H 1 6.906 0.030 . 1 . . . . 53 HIS HD2 . 11328 1 538 . 1 1 53 53 HIS HE1 H 1 7.857 0.030 . 1 . . . . 53 HIS HE1 . 11328 1 539 . 1 1 53 53 HIS C C 13 172.233 0.300 . 1 . . . . 53 HIS C . 11328 1 540 . 1 1 53 53 HIS CA C 13 52.919 0.300 . 1 . . . . 53 HIS CA . 11328 1 541 . 1 1 53 53 HIS CB C 13 30.861 0.300 . 1 . . . . 53 HIS CB . 11328 1 542 . 1 1 53 53 HIS CD2 C 13 120.265 0.300 . 1 . . . . 53 HIS CD2 . 11328 1 543 . 1 1 53 53 HIS CE1 C 13 137.907 0.300 . 1 . . . . 53 HIS CE1 . 11328 1 544 . 1 1 53 53 HIS N N 15 125.831 0.300 . 1 . . . . 53 HIS N . 11328 1 545 . 1 1 54 54 PRO HA H 1 4.193 0.030 . 1 . . . . 54 PRO HA . 11328 1 546 . 1 1 54 54 PRO HB2 H 1 1.854 0.030 . 2 . . . . 54 PRO HB2 . 11328 1 547 . 1 1 54 54 PRO HB3 H 1 2.267 0.030 . 2 . . . . 54 PRO HB3 . 11328 1 548 . 1 1 54 54 PRO HD2 H 1 3.421 0.030 . 2 . . . . 54 PRO HD2 . 11328 1 549 . 1 1 54 54 PRO HD3 H 1 3.482 0.030 . 2 . . . . 54 PRO HD3 . 11328 1 550 . 1 1 54 54 PRO HG2 H 1 2.014 0.030 . 2 . . . . 54 PRO HG2 . 11328 1 551 . 1 1 54 54 PRO HG3 H 1 1.916 0.030 . 2 . . . . 54 PRO HG3 . 11328 1 552 . 1 1 54 54 PRO C C 13 176.628 0.300 . 1 . . . . 54 PRO C . 11328 1 553 . 1 1 54 54 PRO CA C 13 62.881 0.300 . 1 . . . . 54 PRO CA . 11328 1 554 . 1 1 54 54 PRO CB C 13 32.199 0.300 . 1 . . . . 54 PRO CB . 11328 1 555 . 1 1 54 54 PRO CD C 13 50.756 0.300 . 1 . . . . 54 PRO CD . 11328 1 556 . 1 1 54 54 PRO CG C 13 27.290 0.300 . 1 . . . . 54 PRO CG . 11328 1 557 . 1 1 55 55 ARG H H 1 8.440 0.030 . 1 . . . . 55 ARG H . 11328 1 558 . 1 1 55 55 ARG HA H 1 4.261 0.030 . 1 . . . . 55 ARG HA . 11328 1 559 . 1 1 55 55 ARG HB2 H 1 1.789 0.030 . 2 . . . . 55 ARG HB2 . 11328 1 560 . 1 1 55 55 ARG HB3 H 1 1.714 0.030 . 2 . . . . 55 ARG HB3 . 11328 1 561 . 1 1 55 55 ARG HD2 H 1 3.151 0.030 . 1 . . . . 55 ARG HD2 . 11328 1 562 . 1 1 55 55 ARG HD3 H 1 3.151 0.030 . 1 . . . . 55 ARG HD3 . 11328 1 563 . 1 1 55 55 ARG HG2 H 1 1.590 0.030 . 2 . . . . 55 ARG HG2 . 11328 1 564 . 1 1 55 55 ARG HG3 H 1 1.554 0.030 . 2 . . . . 55 ARG HG3 . 11328 1 565 . 1 1 55 55 ARG C C 13 175.940 0.300 . 1 . . . . 55 ARG C . 11328 1 566 . 1 1 55 55 ARG CA C 13 55.970 0.300 . 1 . . . . 55 ARG CA . 11328 1 567 . 1 1 55 55 ARG CB C 13 30.557 0.300 . 1 . . . . 55 ARG CB . 11328 1 568 . 1 1 55 55 ARG CD C 13 43.288 0.300 . 1 . . . . 55 ARG CD . 11328 1 569 . 1 1 55 55 ARG CG C 13 27.243 0.300 . 1 . . . . 55 ARG CG . 11328 1 570 . 1 1 55 55 ARG N N 15 120.927 0.300 . 1 . . . . 55 ARG N . 11328 1 571 . 1 1 56 56 ARG H H 1 8.327 0.030 . 1 . . . . 56 ARG H . 11328 1 572 . 1 1 56 56 ARG HA H 1 4.608 0.030 . 1 . . . . 56 ARG HA . 11328 1 573 . 1 1 56 56 ARG HB2 H 1 1.826 0.030 . 2 . . . . 56 ARG HB2 . 11328 1 574 . 1 1 56 56 ARG HB3 H 1 1.680 0.030 . 2 . . . . 56 ARG HB3 . 11328 1 575 . 1 1 56 56 ARG HD2 H 1 3.151 0.030 . 1 . . . . 56 ARG HD2 . 11328 1 576 . 1 1 56 56 ARG HD3 H 1 3.151 0.030 . 1 . . . . 56 ARG HD3 . 11328 1 577 . 1 1 56 56 ARG HG2 H 1 1.619 0.030 . 1 . . . . 56 ARG HG2 . 11328 1 578 . 1 1 56 56 ARG HG3 H 1 1.619 0.030 . 1 . . . . 56 ARG HG3 . 11328 1 579 . 1 1 56 56 ARG CA C 13 53.702 0.300 . 1 . . . . 56 ARG CA . 11328 1 580 . 1 1 56 56 ARG CB C 13 30.385 0.300 . 1 . . . . 56 ARG CB . 11328 1 581 . 1 1 56 56 ARG CD C 13 43.380 0.300 . 1 . . . . 56 ARG CD . 11328 1 582 . 1 1 56 56 ARG CG C 13 26.924 0.300 . 1 . . . . 56 ARG CG . 11328 1 583 . 1 1 56 56 ARG N N 15 123.800 0.300 . 1 . . . . 56 ARG N . 11328 1 584 . 1 1 57 57 PRO HB2 H 1 1.962 0.030 . 2 . . . . 57 PRO HB2 . 11328 1 585 . 1 1 57 57 PRO HB3 H 1 2.260 0.030 . 2 . . . . 57 PRO HB3 . 11328 1 586 . 1 1 57 57 PRO HD2 H 1 3.625 0.030 . 2 . . . . 57 PRO HD2 . 11328 1 587 . 1 1 57 57 PRO HD3 H 1 3.769 0.030 . 2 . . . . 57 PRO HD3 . 11328 1 588 . 1 1 57 57 PRO HG2 H 1 1.673 0.030 . 2 . . . . 57 PRO HG2 . 11328 1 589 . 1 1 57 57 PRO HG3 H 1 1.852 0.030 . 2 . . . . 57 PRO HG3 . 11328 1 590 . 1 1 57 57 PRO CA C 13 63.000 0.300 . 1 . . . . 57 PRO CA . 11328 1 591 . 1 1 57 57 PRO CB C 13 32.310 0.300 . 1 . . . . 57 PRO CB . 11328 1 592 . 1 1 57 57 PRO CD C 13 50.631 0.300 . 1 . . . . 57 PRO CD . 11328 1 593 . 1 1 57 57 PRO CG C 13 27.621 0.300 . 1 . . . . 57 PRO CG . 11328 1 594 . 1 1 58 58 CYS HA H 1 4.431 0.030 . 1 . . . . 58 CYS HA . 11328 1 595 . 1 1 58 58 CYS HB2 H 1 2.932 0.030 . 1 . . . . 58 CYS HB2 . 11328 1 596 . 1 1 58 58 CYS HB3 H 1 2.932 0.030 . 1 . . . . 58 CYS HB3 . 11328 1 597 . 1 1 58 58 CYS CA C 13 58.786 0.300 . 1 . . . . 58 CYS CA . 11328 1 598 . 1 1 58 58 CYS CB C 13 28.033 0.300 . 1 . . . . 58 CYS CB . 11328 1 599 . 1 1 59 59 GLN HA H 1 4.312 0.030 . 1 . . . . 59 GLN HA . 11328 1 600 . 1 1 59 59 GLN HB2 H 1 1.984 0.030 . 2 . . . . 59 GLN HB2 . 11328 1 601 . 1 1 59 59 GLN HB3 H 1 2.118 0.030 . 2 . . . . 59 GLN HB3 . 11328 1 602 . 1 1 59 59 GLN HE21 H 1 6.875 0.030 . 2 . . . . 59 GLN HE21 . 11328 1 603 . 1 1 59 59 GLN HE22 H 1 7.548 0.030 . 2 . . . . 59 GLN HE22 . 11328 1 604 . 1 1 59 59 GLN HG2 H 1 2.344 0.030 . 1 . . . . 59 GLN HG2 . 11328 1 605 . 1 1 59 59 GLN HG3 H 1 2.344 0.030 . 1 . . . . 59 GLN HG3 . 11328 1 606 . 1 1 59 59 GLN CA C 13 55.970 0.300 . 1 . . . . 59 GLN CA . 11328 1 607 . 1 1 59 59 GLN CB C 13 29.133 0.300 . 1 . . . . 59 GLN CB . 11328 1 608 . 1 1 59 59 GLN CG C 13 33.909 0.300 . 1 . . . . 59 GLN CG . 11328 1 609 . 1 1 59 59 GLN NE2 N 15 112.634 0.300 . 1 . . . . 59 GLN NE2 . 11328 1 610 . 1 1 60 60 GLU HA H 1 4.214 0.030 . 1 . . . . 60 GLU HA . 11328 1 611 . 1 1 60 60 GLU HB2 H 1 1.927 0.030 . 2 . . . . 60 GLU HB2 . 11328 1 612 . 1 1 60 60 GLU HB3 H 1 1.651 0.030 . 2 . . . . 60 GLU HB3 . 11328 1 613 . 1 1 60 60 GLU HG2 H 1 2.183 0.030 . 2 . . . . 60 GLU HG2 . 11328 1 614 . 1 1 60 60 GLU HG3 H 1 2.023 0.030 . 2 . . . . 60 GLU HG3 . 11328 1 615 . 1 1 60 60 GLU CA C 13 56.726 0.300 . 1 . . . . 60 GLU CA . 11328 1 616 . 1 1 60 60 GLU CB C 13 30.004 0.300 . 1 . . . . 60 GLU CB . 11328 1 617 . 1 1 60 60 GLU CG C 13 36.212 0.300 . 1 . . . . 60 GLU CG . 11328 1 618 . 1 1 61 61 HIS HA H 1 4.689 0.030 . 1 . . . . 61 HIS HA . 11328 1 619 . 1 1 61 61 HIS HB2 H 1 3.081 0.030 . 2 . . . . 61 HIS HB2 . 11328 1 620 . 1 1 61 61 HIS HB3 H 1 3.157 0.030 . 2 . . . . 61 HIS HB3 . 11328 1 621 . 1 1 61 61 HIS HD2 H 1 7.038 0.030 . 1 . . . . 61 HIS HD2 . 11328 1 622 . 1 1 61 61 HIS HE1 H 1 7.900 0.030 . 1 . . . . 61 HIS HE1 . 11328 1 623 . 1 1 61 61 HIS CA C 13 56.203 0.300 . 1 . . . . 61 HIS CA . 11328 1 624 . 1 1 61 61 HIS CB C 13 30.702 0.300 . 1 . . . . 61 HIS CB . 11328 1 625 . 1 1 61 61 HIS CD2 C 13 119.937 0.300 . 1 . . . . 61 HIS CD2 . 11328 1 626 . 1 1 61 61 HIS CE1 C 13 138.154 0.300 . 1 . . . . 61 HIS CE1 . 11328 1 627 . 1 1 62 62 SER HA H 1 4.490 0.030 . 1 . . . . 62 SER HA . 11328 1 628 . 1 1 62 62 SER HB2 H 1 3.881 0.030 . 1 . . . . 62 SER HB2 . 11328 1 629 . 1 1 62 62 SER HB3 H 1 3.881 0.030 . 1 . . . . 62 SER HB3 . 11328 1 630 . 1 1 62 62 SER C C 13 174.497 0.300 . 1 . . . . 62 SER C . 11328 1 631 . 1 1 62 62 SER CA C 13 58.287 0.300 . 1 . . . . 62 SER CA . 11328 1 632 . 1 1 62 62 SER CB C 13 63.762 0.300 . 1 . . . . 62 SER CB . 11328 1 stop_ save_