data_6335 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6335 _Entry.Title ; Near complete chemical shift assignments for the zinc-bound redox switch domain of the E. coli Hsp33 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-04 _Entry.Accession_date 2004-10-04 _Entry.Last_release_date 2004-10-12 _Entry.Original_release_date 2004-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hyung-Sik Won . . . 6335 2 Lieh Low . Y. . 6335 3 Roberto Guzman . . . 6335 4 Maria Martinez-Yamout . . . 6335 5 Ursula Jakob . . . 6335 6 H. Dyson . Jane . 6335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 392 6335 '13C chemical shifts' 242 6335 '15N chemical shifts' 63 6335 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-10-12 2004-10-04 original author . 6335 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6335 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15328602 _Citation.Full_citation . _Citation.Title 'The zinc-dependent redox switch domain of the chaperone Hsp33 has a novel fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 341 _Citation.Journal_issue 4 _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 893 _Citation.Page_last 899 _Citation.Year 2004 _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 Hyung-Sik Won . . . 6335 1 2 Lieh Low . Y. . 6335 1 3 Roberto 'De Guzman' . . . 6335 1 4 Maria Martinez-Yamout . . . 6335 1 5 Ursula Jakob . . . 6335 1 6 H. Dyson . Jane . 6335 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Hsp33 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Hsp33 _Assembly.Entry_ID 6335 _Assembly.ID 1 _Assembly.Name 'redox-switch domain of Hsp33' _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 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6335 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Hsp33-RSD 1 $Hsp33-RSD . . . reduced . . . . . 6335 1 2 'ZINC (II) ION' 2 $ZN . . . reduced . . . . . 6335 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 . 1 CYS 7 7 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6335 1 2 coordination single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6335 1 3 coordination single . 1 . 1 CYS 40 40 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6335 1 4 coordination single . 1 . 1 CYS 43 43 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6335 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 1XJH . . . . . . 6335 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'redox-switch domain of Hsp33' system 6335 1 Hsp33 abbreviation 6335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hsp33-RSD _Entity.Sf_category entity _Entity.Sf_framecode Hsp33-RSD _Entity.Entry_ID 6335 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E. coli heat shock protein 33 redox-switch domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVEFKCTCSRERCADALKT LPDEEVDSILAEDGEIDMHC DYCGNHYLFNAMDIAEIRNN AS ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first Met is a cloning artifact. Residues from D2 to S62 correspond to the residues D227 to S287 of the intact E. coli Hsp33. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT Q31VN3 . '33 kDa chaperonin (Heat shock protein 33 homolog) (HSP33)' . . . . . 98.39 292 98.36 98.36 7.39e-29 . . . . 6335 1 . . SWISS-PROT Q0SZR7 . '33 kDa chaperonin (Heat shock protein 33 homolog) (HSP33)' . . . . . 98.39 289 100.00 100.00 1.51e-29 . . . . 6335 1 . . SWISS-PROT P0A6Y7 . '33 kDa chaperonin (Heat shock protein 33) (HSP33)' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . SWISS-PROT P0A6Y6 . '33 kDa chaperonin (Heat shock protein 33) (HSP33)' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . SWISS-PROT P0A6Y5 . '33 kDa chaperonin (Heat shock protein 33) (HSP33)' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . REF NP_709173 . 'Hsp33-like chaperonin [Shigella flexneri 2a str. 301]' . . . . . 98.39 289 100.00 100.00 1.51e-29 . . . . 6335 1 . . REF NP_417860 . 'heat shock protein Hsp33 [Escherichia coli str. K-12 substr. MG1655]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . REF NP_312270 . 'Hsp33-like chaperonin [Escherichia coli O157:H7 str. Sakai]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . REF NP_289940 . 'Hsp33-like chaperonin [Escherichia coli O157:H7 EDL933]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . REF AP_004389 . 'heat shock protein Hsp33 [Escherichia coli W3110]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . PIR A86005 . 'hypothetical protein yrfI [imported] - Escherichia coli (strain O157:H7, substrain EDL933)' . . . . . 98.39 294 100.00 100.00 1.20e-29 . . . . 6335 1 . . GenBank AAN82610 . 'Heat shock protein 33 [Escherichia coli CFT073]' . . . . . 98.39 294 100.00 100.00 1.20e-29 . . . . 6335 1 . . GenBank AAN44880 . 'orf, conserved hypothetical protein [Shigella flexneri 2a str. 301]' . . . . . 98.39 289 100.00 100.00 1.51e-29 . . . . 6335 1 . . GenBank AAG58501 . 'orf, hypothetical protein [Escherichia coli O157:H7 EDL933]' . . . . . 98.39 294 100.00 100.00 1.20e-29 . . . . 6335 1 . . GenBank AAC76426 . 'heat shock protein Hsp33 [Escherichia coli str. K-12 substr. MG1655]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . GenBank AAA58198 . 'ORF_o294 [Escherichia coli]' . . . . . 98.39 294 100.00 100.00 1.20e-29 . . . . 6335 1 . . DBJ BAE77890 . 'heat shock protein Hsp33 [Escherichia coli W3110]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . DBJ BAB37666 . 'redox-responsive chaperonin Hsp33 [Escherichia coli O157:H7 str. Sakai]' . . . . . 98.39 292 100.00 100.00 1.24e-29 . . . . 6335 1 . . PDB 1XJH . 'Nmr Structure Of The Redox Switch Domain Of The E. Coli Hsp33' . . . . . 100.00 62 100.00 100.00 1.61e-28 . . . . 6335 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E. coli heat shock protein 33 redox-switch domain' common 6335 1 Hsp33-RSD abbreviation 6335 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6335 1 2 . ASP . 6335 1 3 . VAL . 6335 1 4 . GLU . 6335 1 5 . PHE . 6335 1 6 . LYS . 6335 1 7 . CYS . 6335 1 8 . THR . 6335 1 9 . CYS . 6335 1 10 . SER . 6335 1 11 . ARG . 6335 1 12 . GLU . 6335 1 13 . ARG . 6335 1 14 . CYS . 6335 1 15 . ALA . 6335 1 16 . ASP . 6335 1 17 . ALA . 6335 1 18 . LEU . 6335 1 19 . LYS . 6335 1 20 . THR . 6335 1 21 . LEU . 6335 1 22 . PRO . 6335 1 23 . ASP . 6335 1 24 . GLU . 6335 1 25 . GLU . 6335 1 26 . VAL . 6335 1 27 . ASP . 6335 1 28 . SER . 6335 1 29 . ILE . 6335 1 30 . LEU . 6335 1 31 . ALA . 6335 1 32 . GLU . 6335 1 33 . ASP . 6335 1 34 . GLY . 6335 1 35 . GLU . 6335 1 36 . ILE . 6335 1 37 . ASP . 6335 1 38 . MET . 6335 1 39 . HIS . 6335 1 40 . CYS . 6335 1 41 . ASP . 6335 1 42 . TYR . 6335 1 43 . CYS . 6335 1 44 . GLY . 6335 1 45 . ASN . 6335 1 46 . HIS . 6335 1 47 . TYR . 6335 1 48 . LEU . 6335 1 49 . PHE . 6335 1 50 . ASN . 6335 1 51 . ALA . 6335 1 52 . MET . 6335 1 53 . ASP . 6335 1 54 . ILE . 6335 1 55 . ALA . 6335 1 56 . GLU . 6335 1 57 . ILE . 6335 1 58 . ARG . 6335 1 59 . ASN . 6335 1 60 . ASN . 6335 1 61 . ALA . 6335 1 62 . SER . 6335 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 6335 1 . ASP 2 2 6335 1 . VAL 3 3 6335 1 . GLU 4 4 6335 1 . PHE 5 5 6335 1 . LYS 6 6 6335 1 . CYS 7 7 6335 1 . THR 8 8 6335 1 . CYS 9 9 6335 1 . SER 10 10 6335 1 . ARG 11 11 6335 1 . GLU 12 12 6335 1 . ARG 13 13 6335 1 . CYS 14 14 6335 1 . ALA 15 15 6335 1 . ASP 16 16 6335 1 . ALA 17 17 6335 1 . LEU 18 18 6335 1 . LYS 19 19 6335 1 . THR 20 20 6335 1 . LEU 21 21 6335 1 . PRO 22 22 6335 1 . ASP 23 23 6335 1 . GLU 24 24 6335 1 . GLU 25 25 6335 1 . VAL 26 26 6335 1 . ASP 27 27 6335 1 . SER 28 28 6335 1 . ILE 29 29 6335 1 . LEU 30 30 6335 1 . ALA 31 31 6335 1 . GLU 32 32 6335 1 . ASP 33 33 6335 1 . GLY 34 34 6335 1 . GLU 35 35 6335 1 . ILE 36 36 6335 1 . ASP 37 37 6335 1 . MET 38 38 6335 1 . HIS 39 39 6335 1 . CYS 40 40 6335 1 . ASP 41 41 6335 1 . TYR 42 42 6335 1 . CYS 43 43 6335 1 . GLY 44 44 6335 1 . ASN 45 45 6335 1 . HIS 46 46 6335 1 . TYR 47 47 6335 1 . LEU 48 48 6335 1 . PHE 49 49 6335 1 . ASN 50 50 6335 1 . ALA 51 51 6335 1 . MET 52 52 6335 1 . ASP 53 53 6335 1 . ILE 54 54 6335 1 . ALA 55 55 6335 1 . GLU 56 56 6335 1 . ILE 57 57 6335 1 . ARG 58 58 6335 1 . ASN 59 59 6335 1 . ASN 60 60 6335 1 . ALA 61 61 6335 1 . SER 62 62 6335 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6335 _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 . 6335 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 6335 _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 $Hsp33-RSD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6335 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 6335 _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 $Hsp33-RSD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6335 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 6335 _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 2011-06-04 _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 Fri Jun 10 14:23:33 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 6335 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6335 ZN [Zn++] SMILES CACTVS 3.341 6335 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6335 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6335 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6335 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6335 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 6335 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6335 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 . 6335 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6335 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E. coli heat shock protein 33 redox-switch domain' '[U-99% 13C; U-99% 15N]' . . 1 $Hsp33-RSD . . . 1.0 2.0 mM . . . . 6335 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6335 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E. coli heat shock protein 33 redox-switch domain' '[U-99% 15N]' . . 1 $Hsp33-RSD . . . 1.0 2.0 mM . . . . 6335 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6335 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 n/a 6335 1 temperature 298 1 K 6335 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6335 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 601 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6335 _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 Bruker DRX . 601 . . . 6335 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 6335 _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 . . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6335 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6335 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6335 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6335 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6335 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6335 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 2 2 ASP HA H 1 4.86 . . 1 . . . . . . . . 6335 1 2 . 1 1 2 2 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 6335 1 3 . 1 1 2 2 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 6335 1 4 . 1 1 2 2 ASP C C 13 175.81 . . 1 . . . . . . . . 6335 1 5 . 1 1 2 2 ASP CA C 13 54.38 . . 1 . . . . . . . . 6335 1 6 . 1 1 2 2 ASP CB C 13 41.43 . . 1 . . . . . . . . 6335 1 7 . 1 1 3 3 VAL H H 1 8.27 . . 1 . . . . . . . . 6335 1 8 . 1 1 3 3 VAL HA H 1 4.15 . . 1 . . . . . . . . 6335 1 9 . 1 1 3 3 VAL HB H 1 1.91 . . 1 . . . . . . . . 6335 1 10 . 1 1 3 3 VAL HG11 H 1 0.81 . . 2 . . . . . . . . 6335 1 11 . 1 1 3 3 VAL HG12 H 1 0.81 . . 2 . . . . . . . . 6335 1 12 . 1 1 3 3 VAL HG13 H 1 0.81 . . 2 . . . . . . . . 6335 1 13 . 1 1 3 3 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 6335 1 14 . 1 1 3 3 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 6335 1 15 . 1 1 3 3 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 6335 1 16 . 1 1 3 3 VAL C C 13 175.60 . . 1 . . . . . . . . 6335 1 17 . 1 1 3 3 VAL CA C 13 61.93 . . 1 . . . . . . . . 6335 1 18 . 1 1 3 3 VAL CB C 13 33.04 . . 1 . . . . . . . . 6335 1 19 . 1 1 3 3 VAL CG1 C 13 21.54 . . 2 . . . . . . . . 6335 1 20 . 1 1 3 3 VAL CG2 C 13 20.65 . . 2 . . . . . . . . 6335 1 21 . 1 1 3 3 VAL N N 15 120.05 . . 1 . . . . . . . . 6335 1 22 . 1 1 4 4 GLU H H 1 8.38 . . 1 . . . . . . . . 6335 1 23 . 1 1 4 4 GLU HA H 1 4.23 . . 1 . . . . . . . . 6335 1 24 . 1 1 4 4 GLU HB2 H 1 1.90 . . 2 . . . . . . . . 6335 1 25 . 1 1 4 4 GLU HB3 H 1 1.83 . . 2 . . . . . . . . 6335 1 26 . 1 1 4 4 GLU HG2 H 1 2.16 . . 2 . . . . . . . . 6335 1 27 . 1 1 4 4 GLU HG3 H 1 2.05 . . 2 . . . . . . . . 6335 1 28 . 1 1 4 4 GLU C C 13 175.75 . . 1 . . . . . . . . 6335 1 29 . 1 1 4 4 GLU CA C 13 56.22 . . 1 . . . . . . . . 6335 1 30 . 1 1 4 4 GLU CB C 13 30.50 . . 1 . . . . . . . . 6335 1 31 . 1 1 4 4 GLU CG C 13 36.14 . . 1 . . . . . . . . 6335 1 32 . 1 1 4 4 GLU N N 15 124.08 . . 1 . . . . . . . . 6335 1 33 . 1 1 5 5 PHE H H 1 8.31 . . 1 . . . . . . . . 6335 1 34 . 1 1 5 5 PHE HA H 1 4.56 . . 1 . . . . . . . . 6335 1 35 . 1 1 5 5 PHE HB2 H 1 2.99 . . 1 . . . . . . . . 6335 1 36 . 1 1 5 5 PHE HB3 H 1 2.99 . . 1 . . . . . . . . 6335 1 37 . 1 1 5 5 PHE HD1 H 1 7.19 . . 1 . . . . . . . . 6335 1 38 . 1 1 5 5 PHE HD2 H 1 7.19 . . 1 . . . . . . . . 6335 1 39 . 1 1 5 5 PHE HE1 H 1 7.27 . . 1 . . . . . . . . 6335 1 40 . 1 1 5 5 PHE HE2 H 1 7.27 . . 1 . . . . . . . . 6335 1 41 . 1 1 5 5 PHE HZ H 1 7.09 . . 1 . . . . . . . . 6335 1 42 . 1 1 5 5 PHE C C 13 174.83 . . 1 . . . . . . . . 6335 1 43 . 1 1 5 5 PHE CA C 13 57.77 . . 1 . . . . . . . . 6335 1 44 . 1 1 5 5 PHE CB C 13 39.76 . . 1 . . . . . . . . 6335 1 45 . 1 1 5 5 PHE CD1 C 13 130.76 . . 3 . . . . . . . . 6335 1 46 . 1 1 5 5 PHE N N 15 122.85 . . 1 . . . . . . . . 6335 1 47 . 1 1 6 6 LYS H H 1 8.04 . . 1 . . . . . . . . 6335 1 48 . 1 1 6 6 LYS HA H 1 4.25 . . 1 . . . . . . . . 6335 1 49 . 1 1 6 6 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 6335 1 50 . 1 1 6 6 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 6335 1 51 . 1 1 6 6 LYS HG2 H 1 1.36 . . 1 . . . . . . . . 6335 1 52 . 1 1 6 6 LYS HG3 H 1 1.36 . . 1 . . . . . . . . 6335 1 53 . 1 1 6 6 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 6335 1 54 . 1 1 6 6 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 6335 1 55 . 1 1 6 6 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 6335 1 56 . 1 1 6 6 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 6335 1 57 . 1 1 6 6 LYS C C 13 174.55 . . 1 . . . . . . . . 6335 1 58 . 1 1 6 6 LYS CA C 13 55.37 . . 1 . . . . . . . . 6335 1 59 . 1 1 6 6 LYS CB C 13 33.44 . . 1 . . . . . . . . 6335 1 60 . 1 1 6 6 LYS CG C 13 24.71 . . 1 . . . . . . . . 6335 1 61 . 1 1 6 6 LYS CD C 13 28.82 . . 1 . . . . . . . . 6335 1 62 . 1 1 6 6 LYS CE C 13 41.91 . . 1 . . . . . . . . 6335 1 63 . 1 1 6 6 LYS N N 15 125.69 . . 1 . . . . . . . . 6335 1 64 . 1 1 7 7 CYS H H 1 8.38 . . 1 . . . . . . . . 6335 1 65 . 1 1 7 7 CYS HA H 1 4.18 . . 1 . . . . . . . . 6335 1 66 . 1 1 7 7 CYS HB2 H 1 3.05 . . 2 . . . . . . . . 6335 1 67 . 1 1 7 7 CYS HB3 H 1 2.89 . . 2 . . . . . . . . 6335 1 68 . 1 1 7 7 CYS C C 13 175.75 . . 1 . . . . . . . . 6335 1 69 . 1 1 7 7 CYS CA C 13 59.15 . . 1 . . . . . . . . 6335 1 70 . 1 1 7 7 CYS CB C 13 30.75 . . 1 . . . . . . . . 6335 1 71 . 1 1 7 7 CYS N N 15 125.60 . . 1 . . . . . . . . 6335 1 72 . 1 1 8 8 THR H H 1 8.74 . . 1 . . . . . . . . 6335 1 73 . 1 1 8 8 THR HA H 1 4.38 . . 1 . . . . . . . . 6335 1 74 . 1 1 8 8 THR HB H 1 4.38 . . 1 . . . . . . . . 6335 1 75 . 1 1 8 8 THR HG21 H 1 1.15 . . 1 . . . . . . . . 6335 1 76 . 1 1 8 8 THR HG22 H 1 1.15 . . 1 . . . . . . . . 6335 1 77 . 1 1 8 8 THR HG23 H 1 1.15 . . 1 . . . . . . . . 6335 1 78 . 1 1 8 8 THR C C 13 175.30 . . 1 . . . . . . . . 6335 1 79 . 1 1 8 8 THR CA C 13 61.45 . . 1 . . . . . . . . 6335 1 80 . 1 1 8 8 THR CB C 13 69.45 . . 1 . . . . . . . . 6335 1 81 . 1 1 8 8 THR CG2 C 13 22.18 . . 1 . . . . . . . . 6335 1 82 . 1 1 8 8 THR N N 15 114.74 . . 1 . . . . . . . . 6335 1 83 . 1 1 9 9 CYS H H 1 8.08 . . 1 . . . . . . . . 6335 1 84 . 1 1 9 9 CYS HA H 1 4.39 . . 1 . . . . . . . . 6335 1 85 . 1 1 9 9 CYS HB2 H 1 3.23 . . 2 . . . . . . . . 6335 1 86 . 1 1 9 9 CYS HB3 H 1 2.97 . . 2 . . . . . . . . 6335 1 87 . 1 1 9 9 CYS C C 13 173.85 . . 1 . . . . . . . . 6335 1 88 . 1 1 9 9 CYS CA C 13 57.49 . . 1 . . . . . . . . 6335 1 89 . 1 1 9 9 CYS CB C 13 31.45 . . 1 . . . . . . . . 6335 1 90 . 1 1 9 9 CYS N N 15 123.52 . . 1 . . . . . . . . 6335 1 91 . 1 1 10 10 SER H H 1 7.39 . . 1 . . . . . . . . 6335 1 92 . 1 1 10 10 SER HA H 1 4.46 . . 1 . . . . . . . . 6335 1 93 . 1 1 10 10 SER HB2 H 1 4.17 . . 2 . . . . . . . . 6335 1 94 . 1 1 10 10 SER HB3 H 1 4.06 . . 2 . . . . . . . . 6335 1 95 . 1 1 10 10 SER C C 13 173.89 . . 1 . . . . . . . . 6335 1 96 . 1 1 10 10 SER CA C 13 57.17 . . 1 . . . . . . . . 6335 1 97 . 1 1 10 10 SER CB C 13 65.68 . . 1 . . . . . . . . 6335 1 98 . 1 1 10 10 SER N N 15 107.92 . . 1 . . . . . . . . 6335 1 99 . 1 1 11 11 ARG H H 1 9.19 . . 1 . . . . . . . . 6335 1 100 . 1 1 11 11 ARG HA H 1 3.21 . . 1 . . . . . . . . 6335 1 101 . 1 1 11 11 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 6335 1 102 . 1 1 11 11 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 6335 1 103 . 1 1 11 11 ARG HG2 H 1 1.62 . . 2 . . . . . . . . 6335 1 104 . 1 1 11 11 ARG HG3 H 1 1.60 . . 2 . . . . . . . . 6335 1 105 . 1 1 11 11 ARG HD2 H 1 3.24 . . 2 . . . . . . . . 6335 1 106 . 1 1 11 11 ARG HD3 H 1 3.15 . . 2 . . . . . . . . 6335 1 107 . 1 1 11 11 ARG C C 13 178.04 . . 1 . . . . . . . . 6335 1 108 . 1 1 11 11 ARG CA C 13 60.40 . . 1 . . . . . . . . 6335 1 109 . 1 1 11 11 ARG CB C 13 29.51 . . 1 . . . . . . . . 6335 1 110 . 1 1 11 11 ARG CG C 13 28.58 . . 1 . . . . . . . . 6335 1 111 . 1 1 11 11 ARG CD C 13 42.85 . . 1 . . . . . . . . 6335 1 112 . 1 1 11 11 ARG N N 15 123.66 . . 1 . . . . . . . . 6335 1 113 . 1 1 12 12 GLU H H 1 8.69 . . 1 . . . . . . . . 6335 1 114 . 1 1 12 12 GLU HA H 1 3.94 . . 1 . . . . . . . . 6335 1 115 . 1 1 12 12 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 6335 1 116 . 1 1 12 12 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 6335 1 117 . 1 1 12 12 GLU HG2 H 1 2.37 . . 2 . . . . . . . . 6335 1 118 . 1 1 12 12 GLU HG3 H 1 2.21 . . 2 . . . . . . . . 6335 1 119 . 1 1 12 12 GLU C C 13 178.78 . . 1 . . . . . . . . 6335 1 120 . 1 1 12 12 GLU CA C 13 60.19 . . 1 . . . . . . . . 6335 1 121 . 1 1 12 12 GLU CB C 13 28.65 . . 1 . . . . . . . . 6335 1 122 . 1 1 12 12 GLU CG C 13 37.08 . . 1 . . . . . . . . 6335 1 123 . 1 1 12 12 GLU N N 15 118.07 . . 1 . . . . . . . . 6335 1 124 . 1 1 13 13 ARG H H 1 7.90 . . 1 . . . . . . . . 6335 1 125 . 1 1 13 13 ARG HA H 1 4.07 . . 1 . . . . . . . . 6335 1 126 . 1 1 13 13 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 6335 1 127 . 1 1 13 13 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 6335 1 128 . 1 1 13 13 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 6335 1 129 . 1 1 13 13 ARG HG3 H 1 1.56 . . 2 . . . . . . . . 6335 1 130 . 1 1 13 13 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 6335 1 131 . 1 1 13 13 ARG HD3 H 1 3.11 . . 2 . . . . . . . . 6335 1 132 . 1 1 13 13 ARG C C 13 180.51 . . 1 . . . . . . . . 6335 1 133 . 1 1 13 13 ARG CA C 13 59.01 . . 1 . . . . . . . . 6335 1 134 . 1 1 13 13 ARG CB C 13 29.87 . . 1 . . . . . . . . 6335 1 135 . 1 1 13 13 ARG CG C 13 27.96 . . 1 . . . . . . . . 6335 1 136 . 1 1 13 13 ARG CD C 13 43.33 . . 1 . . . . . . . . 6335 1 137 . 1 1 13 13 ARG N N 15 120.12 . . 1 . . . . . . . . 6335 1 138 . 1 1 14 14 CYS H H 1 7.68 . . 1 . . . . . . . . 6335 1 139 . 1 1 14 14 CYS HA H 1 3.97 . . 1 . . . . . . . . 6335 1 140 . 1 1 14 14 CYS HB2 H 1 3.09 . . 1 . . . . . . . . 6335 1 141 . 1 1 14 14 CYS HB3 H 1 3.09 . . 1 . . . . . . . . 6335 1 142 . 1 1 14 14 CYS C C 13 175.80 . . 1 . . . . . . . . 6335 1 143 . 1 1 14 14 CYS CA C 13 63.72 . . 1 . . . . . . . . 6335 1 144 . 1 1 14 14 CYS CB C 13 26.64 . . 1 . . . . . . . . 6335 1 145 . 1 1 14 14 CYS N N 15 119.05 . . 1 . . . . . . . . 6335 1 146 . 1 1 15 15 ALA H H 1 8.50 . . 1 . . . . . . . . 6335 1 147 . 1 1 15 15 ALA HA H 1 3.48 . . 1 . . . . . . . . 6335 1 148 . 1 1 15 15 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 6335 1 149 . 1 1 15 15 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 6335 1 150 . 1 1 15 15 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 6335 1 151 . 1 1 15 15 ALA C C 13 179.13 . . 1 . . . . . . . . 6335 1 152 . 1 1 15 15 ALA CA C 13 55.06 . . 1 . . . . . . . . 6335 1 153 . 1 1 15 15 ALA CB C 13 17.83 . . 1 . . . . . . . . 6335 1 154 . 1 1 15 15 ALA N N 15 122.99 . . 1 . . . . . . . . 6335 1 155 . 1 1 16 16 ASP H H 1 7.69 . . 1 . . . . . . . . 6335 1 156 . 1 1 16 16 ASP HA H 1 4.23 . . 1 . . . . . . . . 6335 1 157 . 1 1 16 16 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 6335 1 158 . 1 1 16 16 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 6335 1 159 . 1 1 16 16 ASP C C 13 178.92 . . 1 . . . . . . . . 6335 1 160 . 1 1 16 16 ASP CA C 13 57.10 . . 1 . . . . . . . . 6335 1 161 . 1 1 16 16 ASP CB C 13 40.41 . . 1 . . . . . . . . 6335 1 162 . 1 1 16 16 ASP N N 15 116.79 . . 1 . . . . . . . . 6335 1 163 . 1 1 17 17 ALA H H 1 7.41 . . 1 . . . . . . . . 6335 1 164 . 1 1 17 17 ALA HA H 1 4.10 . . 1 . . . . . . . . 6335 1 165 . 1 1 17 17 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 6335 1 166 . 1 1 17 17 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 6335 1 167 . 1 1 17 17 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 6335 1 168 . 1 1 17 17 ALA C C 13 180.81 . . 1 . . . . . . . . 6335 1 169 . 1 1 17 17 ALA CA C 13 54.46 . . 1 . . . . . . . . 6335 1 170 . 1 1 17 17 ALA CB C 13 17.64 . . 1 . . . . . . . . 6335 1 171 . 1 1 17 17 ALA N N 15 122.15 . . 1 . . . . . . . . 6335 1 172 . 1 1 18 18 LEU H H 1 8.01 . . 1 . . . . . . . . 6335 1 173 . 1 1 18 18 LEU HA H 1 3.81 . . 1 . . . . . . . . 6335 1 174 . 1 1 18 18 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 6335 1 175 . 1 1 18 18 LEU HB3 H 1 1.19 . . 2 . . . . . . . . 6335 1 176 . 1 1 18 18 LEU HG H 1 1.42 . . 1 . . . . . . . . 6335 1 177 . 1 1 18 18 LEU HD11 H 1 0.09 . . 2 . . . . . . . . 6335 1 178 . 1 1 18 18 LEU HD12 H 1 0.09 . . 2 . . . . . . . . 6335 1 179 . 1 1 18 18 LEU HD13 H 1 0.09 . . 2 . . . . . . . . 6335 1 180 . 1 1 18 18 LEU HD21 H 1 0.55 . . 2 . . . . . . . . 6335 1 181 . 1 1 18 18 LEU HD22 H 1 0.55 . . 2 . . . . . . . . 6335 1 182 . 1 1 18 18 LEU HD23 H 1 0.55 . . 2 . . . . . . . . 6335 1 183 . 1 1 18 18 LEU C C 13 179.06 . . 1 . . . . . . . . 6335 1 184 . 1 1 18 18 LEU CA C 13 57.62 . . 1 . . . . . . . . 6335 1 185 . 1 1 18 18 LEU CB C 13 41.94 . . 1 . . . . . . . . 6335 1 186 . 1 1 18 18 LEU CG C 13 27.10 . . 1 . . . . . . . . 6335 1 187 . 1 1 18 18 LEU CD1 C 13 24.94 . . 2 . . . . . . . . 6335 1 188 . 1 1 18 18 LEU CD2 C 13 24.28 . . 2 . . . . . . . . 6335 1 189 . 1 1 18 18 LEU N N 15 120.28 . . 1 . . . . . . . . 6335 1 190 . 1 1 19 19 LYS H H 1 7.67 . . 1 . . . . . . . . 6335 1 191 . 1 1 19 19 LYS HA H 1 3.86 . . 1 . . . . . . . . 6335 1 192 . 1 1 19 19 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 6335 1 193 . 1 1 19 19 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 6335 1 194 . 1 1 19 19 LYS HG2 H 1 1.55 . . 2 . . . . . . . . 6335 1 195 . 1 1 19 19 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 6335 1 196 . 1 1 19 19 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 6335 1 197 . 1 1 19 19 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 6335 1 198 . 1 1 19 19 LYS HE2 H 1 2.97 . . 2 . . . . . . . . 6335 1 199 . 1 1 19 19 LYS HE3 H 1 2.92 . . 2 . . . . . . . . 6335 1 200 . 1 1 19 19 LYS C C 13 176.96 . . 1 . . . . . . . . 6335 1 201 . 1 1 19 19 LYS CA C 13 58.88 . . 1 . . . . . . . . 6335 1 202 . 1 1 19 19 LYS CB C 13 32.71 . . 1 . . . . . . . . 6335 1 203 . 1 1 19 19 LYS CG C 13 25.74 . . 1 . . . . . . . . 6335 1 204 . 1 1 19 19 LYS CD C 13 29.56 . . 1 . . . . . . . . 6335 1 205 . 1 1 19 19 LYS CE C 13 41.93 . . 1 . . . . . . . . 6335 1 206 . 1 1 19 19 LYS N N 15 116.98 . . 1 . . . . . . . . 6335 1 207 . 1 1 20 20 THR H H 1 7.31 . . 1 . . . . . . . . 6335 1 208 . 1 1 20 20 THR HA H 1 4.29 . . 1 . . . . . . . . 6335 1 209 . 1 1 20 20 THR HB H 1 4.36 . . 1 . . . . . . . . 6335 1 210 . 1 1 20 20 THR HG21 H 1 1.22 . . 1 . . . . . . . . 6335 1 211 . 1 1 20 20 THR HG22 H 1 1.22 . . 1 . . . . . . . . 6335 1 212 . 1 1 20 20 THR HG23 H 1 1.22 . . 1 . . . . . . . . 6335 1 213 . 1 1 20 20 THR C C 13 175.12 . . 1 . . . . . . . . 6335 1 214 . 1 1 20 20 THR CA C 13 61.85 . . 1 . . . . . . . . 6335 1 215 . 1 1 20 20 THR CB C 13 69.41 . . 1 . . . . . . . . 6335 1 216 . 1 1 20 20 THR CG2 C 13 21.79 . . 1 . . . . . . . . 6335 1 217 . 1 1 20 20 THR N N 15 106.39 . . 1 . . . . . . . . 6335 1 218 . 1 1 21 21 LEU H H 1 7.02 . . 1 . . . . . . . . 6335 1 219 . 1 1 21 21 LEU HA H 1 4.47 . . 1 . . . . . . . . 6335 1 220 . 1 1 21 21 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 6335 1 221 . 1 1 21 21 LEU HB3 H 1 1.24 . . 2 . . . . . . . . 6335 1 222 . 1 1 21 21 LEU HG H 1 1.82 . . 1 . . . . . . . . 6335 1 223 . 1 1 21 21 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 6335 1 224 . 1 1 21 21 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 6335 1 225 . 1 1 21 21 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 6335 1 226 . 1 1 21 21 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 6335 1 227 . 1 1 21 21 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 6335 1 228 . 1 1 21 21 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 6335 1 229 . 1 1 21 21 LEU CA C 13 53.47 . . 1 . . . . . . . . 6335 1 230 . 1 1 21 21 LEU CB C 13 41.72 . . 1 . . . . . . . . 6335 1 231 . 1 1 21 21 LEU CG C 13 26.66 . . 1 . . . . . . . . 6335 1 232 . 1 1 21 21 LEU CD1 C 13 25.62 . . 2 . . . . . . . . 6335 1 233 . 1 1 21 21 LEU CD2 C 13 22.94 . . 2 . . . . . . . . 6335 1 234 . 1 1 21 21 LEU N N 15 123.57 . . 1 . . . . . . . . 6335 1 235 . 1 1 22 22 PRO HA H 1 4.48 . . 1 . . . . . . . . 6335 1 236 . 1 1 22 22 PRO HB2 H 1 2.48 . . 2 . . . . . . . . 6335 1 237 . 1 1 22 22 PRO HB3 H 1 1.89 . . 2 . . . . . . . . 6335 1 238 . 1 1 22 22 PRO HG2 H 1 2.14 . . 2 . . . . . . . . 6335 1 239 . 1 1 22 22 PRO HG3 H 1 2.08 . . 2 . . . . . . . . 6335 1 240 . 1 1 22 22 PRO HD2 H 1 3.94 . . 2 . . . . . . . . 6335 1 241 . 1 1 22 22 PRO HD3 H 1 3.60 . . 2 . . . . . . . . 6335 1 242 . 1 1 22 22 PRO C C 13 177.94 . . 1 . . . . . . . . 6335 1 243 . 1 1 22 22 PRO CA C 13 62.68 . . 1 . . . . . . . . 6335 1 244 . 1 1 22 22 PRO CB C 13 32.42 . . 1 . . . . . . . . 6335 1 245 . 1 1 22 22 PRO CG C 13 28.04 . . 1 . . . . . . . . 6335 1 246 . 1 1 22 22 PRO CD C 13 50.54 . . 1 . . . . . . . . 6335 1 247 . 1 1 23 23 ASP H H 1 8.73 . . 1 . . . . . . . . 6335 1 248 . 1 1 23 23 ASP HA H 1 4.07 . . 1 . . . . . . . . 6335 1 249 . 1 1 23 23 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 6335 1 250 . 1 1 23 23 ASP HB3 H 1 2.49 . . 2 . . . . . . . . 6335 1 251 . 1 1 23 23 ASP C C 13 177.77 . . 1 . . . . . . . . 6335 1 252 . 1 1 23 23 ASP CA C 13 57.88 . . 1 . . . . . . . . 6335 1 253 . 1 1 23 23 ASP CB C 13 40.19 . . 1 . . . . . . . . 6335 1 254 . 1 1 23 23 ASP N N 15 124.83 . . 1 . . . . . . . . 6335 1 255 . 1 1 24 24 GLU H H 1 9.30 . . 1 . . . . . . . . 6335 1 256 . 1 1 24 24 GLU HA H 1 4.08 . . 1 . . . . . . . . 6335 1 257 . 1 1 24 24 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 6335 1 258 . 1 1 24 24 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 6335 1 259 . 1 1 24 24 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 6335 1 260 . 1 1 24 24 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 6335 1 261 . 1 1 24 24 GLU C C 13 179.07 . . 1 . . . . . . . . 6335 1 262 . 1 1 24 24 GLU CA C 13 59.42 . . 1 . . . . . . . . 6335 1 263 . 1 1 24 24 GLU CB C 13 28.70 . . 1 . . . . . . . . 6335 1 264 . 1 1 24 24 GLU CG C 13 36.21 . . 1 . . . . . . . . 6335 1 265 . 1 1 24 24 GLU N N 15 115.92 . . 1 . . . . . . . . 6335 1 266 . 1 1 25 25 GLU H H 1 7.20 . . 1 . . . . . . . . 6335 1 267 . 1 1 25 25 GLU HA H 1 4.17 . . 1 . . . . . . . . 6335 1 268 . 1 1 25 25 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 6335 1 269 . 1 1 25 25 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 6335 1 270 . 1 1 25 25 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 6335 1 271 . 1 1 25 25 GLU HG3 H 1 2.20 . . 2 . . . . . . . . 6335 1 272 . 1 1 25 25 GLU C C 13 178.40 . . 1 . . . . . . . . 6335 1 273 . 1 1 25 25 GLU CA C 13 58.49 . . 1 . . . . . . . . 6335 1 274 . 1 1 25 25 GLU CB C 13 29.92 . . 1 . . . . . . . . 6335 1 275 . 1 1 25 25 GLU CG C 13 36.12 . . 1 . . . . . . . . 6335 1 276 . 1 1 25 25 GLU N N 15 119.59 . . 1 . . . . . . . . 6335 1 277 . 1 1 26 26 VAL H H 1 7.37 . . 1 . . . . . . . . 6335 1 278 . 1 1 26 26 VAL HA H 1 3.46 . . 1 . . . . . . . . 6335 1 279 . 1 1 26 26 VAL HB H 1 1.96 . . 1 . . . . . . . . 6335 1 280 . 1 1 26 26 VAL HG11 H 1 0.81 . . 2 . . . . . . . . 6335 1 281 . 1 1 26 26 VAL HG12 H 1 0.81 . . 2 . . . . . . . . 6335 1 282 . 1 1 26 26 VAL HG13 H 1 0.81 . . 2 . . . . . . . . 6335 1 283 . 1 1 26 26 VAL HG21 H 1 0.85 . . 2 . . . . . . . . 6335 1 284 . 1 1 26 26 VAL HG22 H 1 0.85 . . 2 . . . . . . . . 6335 1 285 . 1 1 26 26 VAL HG23 H 1 0.85 . . 2 . . . . . . . . 6335 1 286 . 1 1 26 26 VAL C C 13 177.41 . . 1 . . . . . . . . 6335 1 287 . 1 1 26 26 VAL CA C 13 66.17 . . 1 . . . . . . . . 6335 1 288 . 1 1 26 26 VAL CB C 13 32.04 . . 1 . . . . . . . . 6335 1 289 . 1 1 26 26 VAL CG1 C 13 21.99 . . 2 . . . . . . . . 6335 1 290 . 1 1 26 26 VAL CG2 C 13 23.98 . . 2 . . . . . . . . 6335 1 291 . 1 1 26 26 VAL N N 15 119.27 . . 1 . . . . . . . . 6335 1 292 . 1 1 27 27 ASP H H 1 8.61 . . 1 . . . . . . . . 6335 1 293 . 1 1 27 27 ASP HA H 1 4.28 . . 1 . . . . . . . . 6335 1 294 . 1 1 27 27 ASP HB2 H 1 2.61 . . 2 . . . . . . . . 6335 1 295 . 1 1 27 27 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 6335 1 296 . 1 1 27 27 ASP C C 13 179.45 . . 1 . . . . . . . . 6335 1 297 . 1 1 27 27 ASP CA C 13 57.61 . . 1 . . . . . . . . 6335 1 298 . 1 1 27 27 ASP CB C 13 39.91 . . 1 . . . . . . . . 6335 1 299 . 1 1 27 27 ASP N N 15 118.71 . . 1 . . . . . . . . 6335 1 300 . 1 1 28 28 SER H H 1 7.64 . . 1 . . . . . . . . 6335 1 301 . 1 1 28 28 SER HA H 1 4.24 . . 1 . . . . . . . . 6335 1 302 . 1 1 28 28 SER HB2 H 1 3.98 . . 1 . . . . . . . . 6335 1 303 . 1 1 28 28 SER HB3 H 1 3.98 . . 1 . . . . . . . . 6335 1 304 . 1 1 28 28 SER C C 13 176.49 . . 1 . . . . . . . . 6335 1 305 . 1 1 28 28 SER CA C 13 61.64 . . 1 . . . . . . . . 6335 1 306 . 1 1 28 28 SER CB C 13 62.92 . . 1 . . . . . . . . 6335 1 307 . 1 1 28 28 SER N N 15 115.09 . . 1 . . . . . . . . 6335 1 308 . 1 1 29 29 ILE H H 1 7.68 . . 1 . . . . . . . . 6335 1 309 . 1 1 29 29 ILE HA H 1 3.91 . . 1 . . . . . . . . 6335 1 310 . 1 1 29 29 ILE HB H 1 1.83 . . 1 . . . . . . . . 6335 1 311 . 1 1 29 29 ILE HG12 H 1 1.78 . . 2 . . . . . . . . 6335 1 312 . 1 1 29 29 ILE HG13 H 1 1.13 . . 2 . . . . . . . . 6335 1 313 . 1 1 29 29 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 6335 1 314 . 1 1 29 29 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 6335 1 315 . 1 1 29 29 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 6335 1 316 . 1 1 29 29 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 6335 1 317 . 1 1 29 29 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 6335 1 318 . 1 1 29 29 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 6335 1 319 . 1 1 29 29 ILE C C 13 178.96 . . 1 . . . . . . . . 6335 1 320 . 1 1 29 29 ILE CA C 13 64.46 . . 1 . . . . . . . . 6335 1 321 . 1 1 29 29 ILE CB C 13 38.21 . . 1 . . . . . . . . 6335 1 322 . 1 1 29 29 ILE CG1 C 13 28.29 . . 1 . . . . . . . . 6335 1 323 . 1 1 29 29 ILE CG2 C 13 18.64 . . 1 . . . . . . . . 6335 1 324 . 1 1 29 29 ILE CD1 C 13 13.77 . . 1 . . . . . . . . 6335 1 325 . 1 1 29 29 ILE N N 15 122.68 . . 1 . . . . . . . . 6335 1 326 . 1 1 30 30 LEU H H 1 8.19 . . 1 . . . . . . . . 6335 1 327 . 1 1 30 30 LEU HA H 1 3.83 . . 1 . . . . . . . . 6335 1 328 . 1 1 30 30 LEU HB2 H 1 1.87 . . 2 . . . . . . . . 6335 1 329 . 1 1 30 30 LEU HB3 H 1 1.45 . . 2 . . . . . . . . 6335 1 330 . 1 1 30 30 LEU HG H 1 1.74 . . 1 . . . . . . . . 6335 1 331 . 1 1 30 30 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 6335 1 332 . 1 1 30 30 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 6335 1 333 . 1 1 30 30 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 6335 1 334 . 1 1 30 30 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 6335 1 335 . 1 1 30 30 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 6335 1 336 . 1 1 30 30 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 6335 1 337 . 1 1 30 30 LEU C C 13 179.68 . . 1 . . . . . . . . 6335 1 338 . 1 1 30 30 LEU CA C 13 57.73 . . 1 . . . . . . . . 6335 1 339 . 1 1 30 30 LEU CB C 13 41.72 . . 1 . . . . . . . . 6335 1 340 . 1 1 30 30 LEU CG C 13 26.68 . . 1 . . . . . . . . 6335 1 341 . 1 1 30 30 LEU CD1 C 13 23.08 . . 2 . . . . . . . . 6335 1 342 . 1 1 30 30 LEU CD2 C 13 25.65 . . 2 . . . . . . . . 6335 1 343 . 1 1 30 30 LEU N N 15 119.45 . . 1 . . . . . . . . 6335 1 344 . 1 1 31 31 ALA H H 1 7.96 . . 1 . . . . . . . . 6335 1 345 . 1 1 31 31 ALA HA H 1 4.10 . . 1 . . . . . . . . 6335 1 346 . 1 1 31 31 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 6335 1 347 . 1 1 31 31 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 6335 1 348 . 1 1 31 31 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 6335 1 349 . 1 1 31 31 ALA C C 13 178.83 . . 1 . . . . . . . . 6335 1 350 . 1 1 31 31 ALA CA C 13 54.40 . . 1 . . . . . . . . 6335 1 351 . 1 1 31 31 ALA CB C 13 18.52 . . 1 . . . . . . . . 6335 1 352 . 1 1 31 31 ALA N N 15 120.94 . . 1 . . . . . . . . 6335 1 353 . 1 1 32 32 GLU H H 1 7.62 . . 1 . . . . . . . . 6335 1 354 . 1 1 32 32 GLU HA H 1 4.27 . . 1 . . . . . . . . 6335 1 355 . 1 1 32 32 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 6335 1 356 . 1 1 32 32 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 6335 1 357 . 1 1 32 32 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 6335 1 358 . 1 1 32 32 GLU HG3 H 1 2.32 . . 1 . . . . . . . . 6335 1 359 . 1 1 32 32 GLU C C 13 176.97 . . 1 . . . . . . . . 6335 1 360 . 1 1 32 32 GLU CA C 13 57.43 . . 1 . . . . . . . . 6335 1 361 . 1 1 32 32 GLU CB C 13 30.26 . . 1 . . . . . . . . 6335 1 362 . 1 1 32 32 GLU CG C 13 35.84 . . 1 . . . . . . . . 6335 1 363 . 1 1 32 32 GLU N N 15 116.38 . . 1 . . . . . . . . 6335 1 364 . 1 1 33 33 ASP H H 1 8.44 . . 1 . . . . . . . . 6335 1 365 . 1 1 33 33 ASP HA H 1 4.71 . . 1 . . . . . . . . 6335 1 366 . 1 1 33 33 ASP HB2 H 1 2.90 . . 2 . . . . . . . . 6335 1 367 . 1 1 33 33 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 6335 1 368 . 1 1 33 33 ASP C C 13 177.62 . . 1 . . . . . . . . 6335 1 369 . 1 1 33 33 ASP CA C 13 55.02 . . 1 . . . . . . . . 6335 1 370 . 1 1 33 33 ASP CB C 13 42.00 . . 1 . . . . . . . . 6335 1 371 . 1 1 33 33 ASP N N 15 117.25 . . 1 . . . . . . . . 6335 1 372 . 1 1 34 34 GLY H H 1 8.21 . . 1 . . . . . . . . 6335 1 373 . 1 1 34 34 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 6335 1 374 . 1 1 34 34 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 6335 1 375 . 1 1 34 34 GLY C C 13 172.21 . . 1 . . . . . . . . 6335 1 376 . 1 1 34 34 GLY CA C 13 45.92 . . 1 . . . . . . . . 6335 1 377 . 1 1 34 34 GLY N N 15 108.07 . . 1 . . . . . . . . 6335 1 378 . 1 1 35 35 GLU H H 1 7.46 . . 1 . . . . . . . . 6335 1 379 . 1 1 35 35 GLU HA H 1 4.83 . . 1 . . . . . . . . 6335 1 380 . 1 1 35 35 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 6335 1 381 . 1 1 35 35 GLU HB3 H 1 1.74 . . 2 . . . . . . . . 6335 1 382 . 1 1 35 35 GLU HG2 H 1 2.04 . . 2 . . . . . . . . 6335 1 383 . 1 1 35 35 GLU HG3 H 1 1.93 . . 2 . . . . . . . . 6335 1 384 . 1 1 35 35 GLU C C 13 174.33 . . 1 . . . . . . . . 6335 1 385 . 1 1 35 35 GLU CA C 13 54.34 . . 1 . . . . . . . . 6335 1 386 . 1 1 35 35 GLU CB C 13 32.42 . . 1 . . . . . . . . 6335 1 387 . 1 1 35 35 GLU CG C 13 34.95 . . 1 . . . . . . . . 6335 1 388 . 1 1 35 35 GLU N N 15 114.58 . . 1 . . . . . . . . 6335 1 389 . 1 1 36 36 ILE H H 1 9.08 . . 1 . . . . . . . . 6335 1 390 . 1 1 36 36 ILE HA H 1 4.28 . . 1 . . . . . . . . 6335 1 391 . 1 1 36 36 ILE HB H 1 1.75 . . 1 . . . . . . . . 6335 1 392 . 1 1 36 36 ILE HG12 H 1 1.53 . . 2 . . . . . . . . 6335 1 393 . 1 1 36 36 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 6335 1 394 . 1 1 36 36 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 6335 1 395 . 1 1 36 36 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 6335 1 396 . 1 1 36 36 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 6335 1 397 . 1 1 36 36 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 6335 1 398 . 1 1 36 36 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 6335 1 399 . 1 1 36 36 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 6335 1 400 . 1 1 36 36 ILE C C 13 173.22 . . 1 . . . . . . . . 6335 1 401 . 1 1 36 36 ILE CA C 13 60.76 . . 1 . . . . . . . . 6335 1 402 . 1 1 36 36 ILE CB C 13 40.86 . . 1 . . . . . . . . 6335 1 403 . 1 1 36 36 ILE CG1 C 13 28.41 . . 1 . . . . . . . . 6335 1 404 . 1 1 36 36 ILE CG2 C 13 17.67 . . 1 . . . . . . . . 6335 1 405 . 1 1 36 36 ILE CD1 C 13 14.47 . . 1 . . . . . . . . 6335 1 406 . 1 1 36 36 ILE N N 15 120.84 . . 1 . . . . . . . . 6335 1 407 . 1 1 37 37 ASP H H 1 8.76 . . 1 . . . . . . . . 6335 1 408 . 1 1 37 37 ASP HA H 1 5.17 . . 1 . . . . . . . . 6335 1 409 . 1 1 37 37 ASP HB2 H 1 2.96 . . 2 . . . . . . . . 6335 1 410 . 1 1 37 37 ASP HB3 H 1 2.36 . . 2 . . . . . . . . 6335 1 411 . 1 1 37 37 ASP C C 13 176.27 . . 1 . . . . . . . . 6335 1 412 . 1 1 37 37 ASP CA C 13 52.34 . . 1 . . . . . . . . 6335 1 413 . 1 1 37 37 ASP CB C 13 42.12 . . 1 . . . . . . . . 6335 1 414 . 1 1 37 37 ASP N N 15 128.59 . . 1 . . . . . . . . 6335 1 415 . 1 1 38 38 MET H H 1 9.02 . . 1 . . . . . . . . 6335 1 416 . 1 1 38 38 MET HA H 1 4.92 . . 1 . . . . . . . . 6335 1 417 . 1 1 38 38 MET HB2 H 1 2.44 . . 2 . . . . . . . . 6335 1 418 . 1 1 38 38 MET HB3 H 1 2.19 . . 2 . . . . . . . . 6335 1 419 . 1 1 38 38 MET HG2 H 1 2.54 . . 1 . . . . . . . . 6335 1 420 . 1 1 38 38 MET HG3 H 1 2.54 . . 1 . . . . . . . . 6335 1 421 . 1 1 38 38 MET C C 13 174.43 . . 1 . . . . . . . . 6335 1 422 . 1 1 38 38 MET CA C 13 54.66 . . 1 . . . . . . . . 6335 1 423 . 1 1 38 38 MET CB C 13 34.27 . . 1 . . . . . . . . 6335 1 424 . 1 1 38 38 MET CG C 13 33.16 . . 1 . . . . . . . . 6335 1 425 . 1 1 38 38 MET N N 15 125.41 . . 1 . . . . . . . . 6335 1 426 . 1 1 39 39 HIS H H 1 8.68 . . 1 . . . . . . . . 6335 1 427 . 1 1 39 39 HIS HA H 1 5.16 . . 1 . . . . . . . . 6335 1 428 . 1 1 39 39 HIS HB2 H 1 2.64 . . 1 . . . . . . . . 6335 1 429 . 1 1 39 39 HIS HB3 H 1 2.64 . . 1 . . . . . . . . 6335 1 430 . 1 1 39 39 HIS HD2 H 1 6.41 . . 1 . . . . . . . . 6335 1 431 . 1 1 39 39 HIS HE1 H 1 8.13 . . 1 . . . . . . . . 6335 1 432 . 1 1 39 39 HIS C C 13 173.51 . . 1 . . . . . . . . 6335 1 433 . 1 1 39 39 HIS CA C 13 53.66 . . 1 . . . . . . . . 6335 1 434 . 1 1 39 39 HIS CB C 13 31.27 . . 1 . . . . . . . . 6335 1 435 . 1 1 39 39 HIS CD2 C 13 118.60 . . 1 . . . . . . . . 6335 1 436 . 1 1 39 39 HIS CE1 C 13 133.63 . . 1 . . . . . . . . 6335 1 437 . 1 1 39 39 HIS N N 15 120.91 . . 1 . . . . . . . . 6335 1 438 . 1 1 40 40 CYS H H 1 8.64 . . 1 . . . . . . . . 6335 1 439 . 1 1 40 40 CYS HA H 1 4.47 . . 1 . . . . . . . . 6335 1 440 . 1 1 40 40 CYS HB2 H 1 3.13 . . 2 . . . . . . . . 6335 1 441 . 1 1 40 40 CYS HB3 H 1 2.68 . . 2 . . . . . . . . 6335 1 442 . 1 1 40 40 CYS C C 13 176.71 . . 1 . . . . . . . . 6335 1 443 . 1 1 40 40 CYS CA C 13 58.24 . . 1 . . . . . . . . 6335 1 444 . 1 1 40 40 CYS CB C 13 31.79 . . 1 . . . . . . . . 6335 1 445 . 1 1 40 40 CYS N N 15 126.78 . . 1 . . . . . . . . 6335 1 446 . 1 1 41 41 ASP H H 1 8.82 . . 1 . . . . . . . . 6335 1 447 . 1 1 41 41 ASP HA H 1 4.32 . . 1 . . . . . . . . 6335 1 448 . 1 1 41 41 ASP HB2 H 1 2.45 . . 2 . . . . . . . . 6335 1 449 . 1 1 41 41 ASP HB3 H 1 2.28 . . 2 . . . . . . . . 6335 1 450 . 1 1 41 41 ASP C C 13 176.17 . . 1 . . . . . . . . 6335 1 451 . 1 1 41 41 ASP CA C 13 56.03 . . 1 . . . . . . . . 6335 1 452 . 1 1 41 41 ASP CB C 13 40.90 . . 1 . . . . . . . . 6335 1 453 . 1 1 41 41 ASP N N 15 129.17 . . 1 . . . . . . . . 6335 1 454 . 1 1 42 42 TYR H H 1 9.01 . . 1 . . . . . . . . 6335 1 455 . 1 1 42 42 TYR HA H 1 4.52 . . 1 . . . . . . . . 6335 1 456 . 1 1 42 42 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 6335 1 457 . 1 1 42 42 TYR HB3 H 1 3.06 . . 2 . . . . . . . . 6335 1 458 . 1 1 42 42 TYR HD1 H 1 7.22 . . 1 . . . . . . . . 6335 1 459 . 1 1 42 42 TYR HD2 H 1 7.22 . . 1 . . . . . . . . 6335 1 460 . 1 1 42 42 TYR HE1 H 1 6.80 . . 1 . . . . . . . . 6335 1 461 . 1 1 42 42 TYR HE2 H 1 6.80 . . 1 . . . . . . . . 6335 1 462 . 1 1 42 42 TYR C C 13 176.93 . . 1 . . . . . . . . 6335 1 463 . 1 1 42 42 TYR CA C 13 59.91 . . 1 . . . . . . . . 6335 1 464 . 1 1 42 42 TYR CB C 13 38.82 . . 1 . . . . . . . . 6335 1 465 . 1 1 42 42 TYR CD1 C 13 132.12 . . 3 . . . . . . . . 6335 1 466 . 1 1 42 42 TYR CE1 C 13 117.35 . . 3 . . . . . . . . 6335 1 467 . 1 1 42 42 TYR N N 15 121.61 . . 1 . . . . . . . . 6335 1 468 . 1 1 43 43 CYS H H 1 8.37 . . 1 . . . . . . . . 6335 1 469 . 1 1 43 43 CYS HA H 1 4.91 . . 1 . . . . . . . . 6335 1 470 . 1 1 43 43 CYS HB2 H 1 3.24 . . 2 . . . . . . . . 6335 1 471 . 1 1 43 43 CYS HB3 H 1 2.92 . . 2 . . . . . . . . 6335 1 472 . 1 1 43 43 CYS C C 13 176.87 . . 1 . . . . . . . . 6335 1 473 . 1 1 43 43 CYS CA C 13 58.17 . . 1 . . . . . . . . 6335 1 474 . 1 1 43 43 CYS CB C 13 32.81 . . 1 . . . . . . . . 6335 1 475 . 1 1 43 43 CYS N N 15 116.88 . . 1 . . . . . . . . 6335 1 476 . 1 1 44 44 GLY H H 1 7.74 . . 1 . . . . . . . . 6335 1 477 . 1 1 44 44 GLY HA2 H 1 4.24 . . 2 . . . . . . . . 6335 1 478 . 1 1 44 44 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 6335 1 479 . 1 1 44 44 GLY C C 13 174.29 . . 1 . . . . . . . . 6335 1 480 . 1 1 44 44 GLY CA C 13 46.06 . . 1 . . . . . . . . 6335 1 481 . 1 1 44 44 GLY N N 15 112.83 . . 1 . . . . . . . . 6335 1 482 . 1 1 45 45 ASN H H 1 8.78 . . 1 . . . . . . . . 6335 1 483 . 1 1 45 45 ASN HA H 1 4.50 . . 1 . . . . . . . . 6335 1 484 . 1 1 45 45 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 6335 1 485 . 1 1 45 45 ASN HB3 H 1 2.16 . . 2 . . . . . . . . 6335 1 486 . 1 1 45 45 ASN HD21 H 1 6.74 . . 2 . . . . . . . . 6335 1 487 . 1 1 45 45 ASN HD22 H 1 6.81 . . 2 . . . . . . . . 6335 1 488 . 1 1 45 45 ASN C C 13 174.26 . . 1 . . . . . . . . 6335 1 489 . 1 1 45 45 ASN CA C 13 53.86 . . 1 . . . . . . . . 6335 1 490 . 1 1 45 45 ASN CB C 13 38.99 . . 1 . . . . . . . . 6335 1 491 . 1 1 45 45 ASN N N 15 122.52 . . 1 . . . . . . . . 6335 1 492 . 1 1 45 45 ASN ND2 N 15 110.89 . . 1 . . . . . . . . 6335 1 493 . 1 1 46 46 HIS H H 1 8.16 . . 1 . . . . . . . . 6335 1 494 . 1 1 46 46 HIS HA H 1 5.09 . . 1 . . . . . . . . 6335 1 495 . 1 1 46 46 HIS HB2 H 1 2.92 . . 2 . . . . . . . . 6335 1 496 . 1 1 46 46 HIS HB3 H 1 2.80 . . 2 . . . . . . . . 6335 1 497 . 1 1 46 46 HIS HD2 H 1 7.35 . . 1 . . . . . . . . 6335 1 498 . 1 1 46 46 HIS HE1 H 1 8.31 . . 1 . . . . . . . . 6335 1 499 . 1 1 46 46 HIS C C 13 173.38 . . 1 . . . . . . . . 6335 1 500 . 1 1 46 46 HIS CA C 13 54.44 . . 1 . . . . . . . . 6335 1 501 . 1 1 46 46 HIS CB C 13 31.03 . . 1 . . . . . . . . 6335 1 502 . 1 1 46 46 HIS CD2 C 13 118.85 . . 1 . . . . . . . . 6335 1 503 . 1 1 46 46 HIS CE1 C 13 135.49 . . 1 . . . . . . . . 6335 1 504 . 1 1 46 46 HIS N N 15 116.25 . . 1 . . . . . . . . 6335 1 505 . 1 1 47 47 TYR H H 1 9.08 . . 1 . . . . . . . . 6335 1 506 . 1 1 47 47 TYR HA H 1 4.36 . . 1 . . . . . . . . 6335 1 507 . 1 1 47 47 TYR HB2 H 1 3.08 . . 2 . . . . . . . . 6335 1 508 . 1 1 47 47 TYR HB3 H 1 2.62 . . 2 . . . . . . . . 6335 1 509 . 1 1 47 47 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 6335 1 510 . 1 1 47 47 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 6335 1 511 . 1 1 47 47 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 6335 1 512 . 1 1 47 47 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 6335 1 513 . 1 1 47 47 TYR C C 13 172.91 . . 1 . . . . . . . . 6335 1 514 . 1 1 47 47 TYR CA C 13 57.14 . . 1 . . . . . . . . 6335 1 515 . 1 1 47 47 TYR CB C 13 41.00 . . 1 . . . . . . . . 6335 1 516 . 1 1 47 47 TYR CD1 C 13 133.21 . . 3 . . . . . . . . 6335 1 517 . 1 1 47 47 TYR CE1 C 13 115.94 . . 3 . . . . . . . . 6335 1 518 . 1 1 47 47 TYR N N 15 121.88 . . 1 . . . . . . . . 6335 1 519 . 1 1 48 48 LEU H H 1 8.41 . . 1 . . . . . . . . 6335 1 520 . 1 1 48 48 LEU HA H 1 5.20 . . 1 . . . . . . . . 6335 1 521 . 1 1 48 48 LEU HB2 H 1 1.51 . . 2 . . . . . . . . 6335 1 522 . 1 1 48 48 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 6335 1 523 . 1 1 48 48 LEU HG H 1 1.43 . . 1 . . . . . . . . 6335 1 524 . 1 1 48 48 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 6335 1 525 . 1 1 48 48 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 6335 1 526 . 1 1 48 48 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 6335 1 527 . 1 1 48 48 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 6335 1 528 . 1 1 48 48 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 6335 1 529 . 1 1 48 48 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 6335 1 530 . 1 1 48 48 LEU C C 13 177.36 . . 1 . . . . . . . . 6335 1 531 . 1 1 48 48 LEU CA C 13 54.08 . . 1 . . . . . . . . 6335 1 532 . 1 1 48 48 LEU CB C 13 43.41 . . 1 . . . . . . . . 6335 1 533 . 1 1 48 48 LEU CG C 13 27.74 . . 1 . . . . . . . . 6335 1 534 . 1 1 48 48 LEU CD1 C 13 24.46 . . 1 . . . . . . . . 6335 1 535 . 1 1 48 48 LEU CD2 C 13 24.46 . . 1 . . . . . . . . 6335 1 536 . 1 1 48 48 LEU N N 15 124.59 . . 1 . . . . . . . . 6335 1 537 . 1 1 49 49 PHE H H 1 9.31 . . 1 . . . . . . . . 6335 1 538 . 1 1 49 49 PHE HA H 1 5.08 . . 1 . . . . . . . . 6335 1 539 . 1 1 49 49 PHE HB2 H 1 2.90 . . 2 . . . . . . . . 6335 1 540 . 1 1 49 49 PHE HB3 H 1 2.77 . . 2 . . . . . . . . 6335 1 541 . 1 1 49 49 PHE HD1 H 1 7.05 . . 1 . . . . . . . . 6335 1 542 . 1 1 49 49 PHE HD2 H 1 7.05 . . 1 . . . . . . . . 6335 1 543 . 1 1 49 49 PHE HE1 H 1 7.16 . . 1 . . . . . . . . 6335 1 544 . 1 1 49 49 PHE HE2 H 1 7.16 . . 1 . . . . . . . . 6335 1 545 . 1 1 49 49 PHE HZ H 1 6.97 . . 1 . . . . . . . . 6335 1 546 . 1 1 49 49 PHE C C 13 174.54 . . 1 . . . . . . . . 6335 1 547 . 1 1 49 49 PHE CA C 13 56.35 . . 1 . . . . . . . . 6335 1 548 . 1 1 49 49 PHE CB C 13 41.83 . . 1 . . . . . . . . 6335 1 549 . 1 1 49 49 PHE CD1 C 13 131.40 . . 3 . . . . . . . . 6335 1 550 . 1 1 49 49 PHE N N 15 124.10 . . 1 . . . . . . . . 6335 1 551 . 1 1 50 50 ASN H H 1 9.40 . . 1 . . . . . . . . 6335 1 552 . 1 1 50 50 ASN HA H 1 5.01 . . 1 . . . . . . . . 6335 1 553 . 1 1 50 50 ASN HB2 H 1 3.41 . . 2 . . . . . . . . 6335 1 554 . 1 1 50 50 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 6335 1 555 . 1 1 50 50 ASN HD21 H 1 6.82 . . 2 . . . . . . . . 6335 1 556 . 1 1 50 50 ASN HD22 H 1 7.50 . . 2 . . . . . . . . 6335 1 557 . 1 1 50 50 ASN C C 13 175.39 . . 1 . . . . . . . . 6335 1 558 . 1 1 50 50 ASN CA C 13 50.73 . . 1 . . . . . . . . 6335 1 559 . 1 1 50 50 ASN CB C 13 39.38 . . 1 . . . . . . . . 6335 1 560 . 1 1 50 50 ASN N N 15 121.76 . . 1 . . . . . . . . 6335 1 561 . 1 1 50 50 ASN ND2 N 15 112.21 . . 1 . . . . . . . . 6335 1 562 . 1 1 51 51 ALA H H 1 8.61 . . 1 . . . . . . . . 6335 1 563 . 1 1 51 51 ALA HA H 1 3.91 . . 1 . . . . . . . . 6335 1 564 . 1 1 51 51 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 6335 1 565 . 1 1 51 51 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 6335 1 566 . 1 1 51 51 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 6335 1 567 . 1 1 51 51 ALA C C 13 180.49 . . 1 . . . . . . . . 6335 1 568 . 1 1 51 51 ALA CA C 13 56.12 . . 1 . . . . . . . . 6335 1 569 . 1 1 51 51 ALA CB C 13 18.45 . . 1 . . . . . . . . 6335 1 570 . 1 1 51 51 ALA N N 15 118.90 . . 1 . . . . . . . . 6335 1 571 . 1 1 52 52 MET H H 1 8.08 . . 1 . . . . . . . . 6335 1 572 . 1 1 52 52 MET HA H 1 4.25 . . 1 . . . . . . . . 6335 1 573 . 1 1 52 52 MET HB2 H 1 2.17 . . 2 . . . . . . . . 6335 1 574 . 1 1 52 52 MET HB3 H 1 2.14 . . 2 . . . . . . . . 6335 1 575 . 1 1 52 52 MET HG2 H 1 2.65 . . 2 . . . . . . . . 6335 1 576 . 1 1 52 52 MET HG3 H 1 2.58 . . 2 . . . . . . . . 6335 1 577 . 1 1 52 52 MET C C 13 178.88 . . 1 . . . . . . . . 6335 1 578 . 1 1 52 52 MET CA C 13 58.36 . . 1 . . . . . . . . 6335 1 579 . 1 1 52 52 MET CB C 13 31.47 . . 1 . . . . . . . . 6335 1 580 . 1 1 52 52 MET CG C 13 32.44 . . 1 . . . . . . . . 6335 1 581 . 1 1 52 52 MET N N 15 118.97 . . 1 . . . . . . . . 6335 1 582 . 1 1 53 53 ASP H H 1 8.44 . . 1 . . . . . . . . 6335 1 583 . 1 1 53 53 ASP HA H 1 4.41 . . 1 . . . . . . . . 6335 1 584 . 1 1 53 53 ASP HB2 H 1 3.23 . . 2 . . . . . . . . 6335 1 585 . 1 1 53 53 ASP HB3 H 1 2.84 . . 2 . . . . . . . . 6335 1 586 . 1 1 53 53 ASP C C 13 179.45 . . 1 . . . . . . . . 6335 1 587 . 1 1 53 53 ASP CA C 13 57.19 . . 1 . . . . . . . . 6335 1 588 . 1 1 53 53 ASP CB C 13 41.75 . . 1 . . . . . . . . 6335 1 589 . 1 1 53 53 ASP N N 15 121.57 . . 1 . . . . . . . . 6335 1 590 . 1 1 54 54 ILE H H 1 8.36 . . 1 . . . . . . . . 6335 1 591 . 1 1 54 54 ILE HA H 1 3.58 . . 1 . . . . . . . . 6335 1 592 . 1 1 54 54 ILE HB H 1 1.89 . . 1 . . . . . . . . 6335 1 593 . 1 1 54 54 ILE HG12 H 1 1.60 . . 2 . . . . . . . . 6335 1 594 . 1 1 54 54 ILE HG13 H 1 1.18 . . 2 . . . . . . . . 6335 1 595 . 1 1 54 54 ILE HG21 H 1 0.76 . . 1 . . . . . . . . 6335 1 596 . 1 1 54 54 ILE HG22 H 1 0.76 . . 1 . . . . . . . . 6335 1 597 . 1 1 54 54 ILE HG23 H 1 0.76 . . 1 . . . . . . . . 6335 1 598 . 1 1 54 54 ILE HD11 H 1 0.68 . . 1 . . . . . . . . 6335 1 599 . 1 1 54 54 ILE HD12 H 1 0.68 . . 1 . . . . . . . . 6335 1 600 . 1 1 54 54 ILE HD13 H 1 0.68 . . 1 . . . . . . . . 6335 1 601 . 1 1 54 54 ILE C C 13 177.03 . . 1 . . . . . . . . 6335 1 602 . 1 1 54 54 ILE CA C 13 63.91 . . 1 . . . . . . . . 6335 1 603 . 1 1 54 54 ILE CB C 13 37.04 . . 1 . . . . . . . . 6335 1 604 . 1 1 54 54 ILE CG1 C 13 29.59 . . 1 . . . . . . . . 6335 1 605 . 1 1 54 54 ILE CG2 C 13 17.80 . . 1 . . . . . . . . 6335 1 606 . 1 1 54 54 ILE CD1 C 13 13.29 . . 1 . . . . . . . . 6335 1 607 . 1 1 54 54 ILE N N 15 119.29 . . 1 . . . . . . . . 6335 1 608 . 1 1 55 55 ALA H H 1 7.94 . . 1 . . . . . . . . 6335 1 609 . 1 1 55 55 ALA HA H 1 4.03 . . 1 . . . . . . . . 6335 1 610 . 1 1 55 55 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 6335 1 611 . 1 1 55 55 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 6335 1 612 . 1 1 55 55 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 6335 1 613 . 1 1 55 55 ALA C C 13 179.95 . . 1 . . . . . . . . 6335 1 614 . 1 1 55 55 ALA CA C 13 55.09 . . 1 . . . . . . . . 6335 1 615 . 1 1 55 55 ALA CB C 13 17.61 . . 1 . . . . . . . . 6335 1 616 . 1 1 55 55 ALA N N 15 122.45 . . 1 . . . . . . . . 6335 1 617 . 1 1 56 56 GLU H H 1 7.72 . . 1 . . . . . . . . 6335 1 618 . 1 1 56 56 GLU HA H 1 4.06 . . 1 . . . . . . . . 6335 1 619 . 1 1 56 56 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 6335 1 620 . 1 1 56 56 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 6335 1 621 . 1 1 56 56 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 6335 1 622 . 1 1 56 56 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 6335 1 623 . 1 1 56 56 GLU C C 13 179.16 . . 1 . . . . . . . . 6335 1 624 . 1 1 56 56 GLU CA C 13 59.00 . . 1 . . . . . . . . 6335 1 625 . 1 1 56 56 GLU CB C 13 29.59 . . 1 . . . . . . . . 6335 1 626 . 1 1 56 56 GLU CG C 13 36.15 . . 1 . . . . . . . . 6335 1 627 . 1 1 56 56 GLU N N 15 117.05 . . 1 . . . . . . . . 6335 1 628 . 1 1 57 57 ILE H H 1 7.88 . . 1 . . . . . . . . 6335 1 629 . 1 1 57 57 ILE HA H 1 3.75 . . 1 . . . . . . . . 6335 1 630 . 1 1 57 57 ILE HB H 1 1.85 . . 1 . . . . . . . . 6335 1 631 . 1 1 57 57 ILE HG12 H 1 1.83 . . 2 . . . . . . . . 6335 1 632 . 1 1 57 57 ILE HG13 H 1 1.14 . . 2 . . . . . . . . 6335 1 633 . 1 1 57 57 ILE HG21 H 1 0.81 . . 1 . . . . . . . . 6335 1 634 . 1 1 57 57 ILE HG22 H 1 0.81 . . 1 . . . . . . . . 6335 1 635 . 1 1 57 57 ILE HG23 H 1 0.81 . . 1 . . . . . . . . 6335 1 636 . 1 1 57 57 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 6335 1 637 . 1 1 57 57 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 6335 1 638 . 1 1 57 57 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 6335 1 639 . 1 1 57 57 ILE C C 13 178.29 . . 1 . . . . . . . . 6335 1 640 . 1 1 57 57 ILE CA C 13 64.46 . . 1 . . . . . . . . 6335 1 641 . 1 1 57 57 ILE CB C 13 38.77 . . 1 . . . . . . . . 6335 1 642 . 1 1 57 57 ILE CG1 C 13 29.51 . . 1 . . . . . . . . 6335 1 643 . 1 1 57 57 ILE CG2 C 13 17.77 . . 1 . . . . . . . . 6335 1 644 . 1 1 57 57 ILE CD1 C 13 15.18 . . 1 . . . . . . . . 6335 1 645 . 1 1 57 57 ILE N N 15 119.56 . . 1 . . . . . . . . 6335 1 646 . 1 1 58 58 ARG H H 1 8.14 . . 1 . . . . . . . . 6335 1 647 . 1 1 58 58 ARG HA H 1 4.07 . . 1 . . . . . . . . 6335 1 648 . 1 1 58 58 ARG HB2 H 1 1.99 . . 2 . . . . . . . . 6335 1 649 . 1 1 58 58 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 6335 1 650 . 1 1 58 58 ARG HG2 H 1 1.69 . . 2 . . . . . . . . 6335 1 651 . 1 1 58 58 ARG HG3 H 1 1.64 . . 2 . . . . . . . . 6335 1 652 . 1 1 58 58 ARG HD2 H 1 2.98 . . 1 . . . . . . . . 6335 1 653 . 1 1 58 58 ARG HD3 H 1 2.98 . . 1 . . . . . . . . 6335 1 654 . 1 1 58 58 ARG C C 13 177.21 . . 1 . . . . . . . . 6335 1 655 . 1 1 58 58 ARG CA C 13 57.84 . . 1 . . . . . . . . 6335 1 656 . 1 1 58 58 ARG CB C 13 30.22 . . 1 . . . . . . . . 6335 1 657 . 1 1 58 58 ARG CG C 13 28.19 . . 1 . . . . . . . . 6335 1 658 . 1 1 58 58 ARG CD C 13 43.17 . . 1 . . . . . . . . 6335 1 659 . 1 1 58 58 ARG N N 15 117.25 . . 1 . . . . . . . . 6335 1 660 . 1 1 59 59 ASN H H 1 7.91 . . 1 . . . . . . . . 6335 1 661 . 1 1 59 59 ASN HA H 1 4.63 . . 1 . . . . . . . . 6335 1 662 . 1 1 59 59 ASN HB2 H 1 2.87 . . 2 . . . . . . . . 6335 1 663 . 1 1 59 59 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 6335 1 664 . 1 1 59 59 ASN HD21 H 1 6.86 . . 2 . . . . . . . . 6335 1 665 . 1 1 59 59 ASN HD22 H 1 7.60 . . 2 . . . . . . . . 6335 1 666 . 1 1 59 59 ASN C C 13 175.44 . . 1 . . . . . . . . 6335 1 667 . 1 1 59 59 ASN CA C 13 53.91 . . 1 . . . . . . . . 6335 1 668 . 1 1 59 59 ASN CB C 13 38.63 . . 1 . . . . . . . . 6335 1 669 . 1 1 59 59 ASN N N 15 117.16 . . 1 . . . . . . . . 6335 1 670 . 1 1 59 59 ASN ND2 N 15 112.29 . . 1 . . . . . . . . 6335 1 671 . 1 1 60 60 ASN H H 1 7.99 . . 1 . . . . . . . . 6335 1 672 . 1 1 60 60 ASN HA H 1 4.72 . . 1 . . . . . . . . 6335 1 673 . 1 1 60 60 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 6335 1 674 . 1 1 60 60 ASN HB3 H 1 2.77 . . 2 . . . . . . . . 6335 1 675 . 1 1 60 60 ASN HD21 H 1 6.90 . . 2 . . . . . . . . 6335 1 676 . 1 1 60 60 ASN HD22 H 1 7.62 . . 2 . . . . . . . . 6335 1 677 . 1 1 60 60 ASN C C 13 174.77 . . 1 . . . . . . . . 6335 1 678 . 1 1 60 60 ASN CA C 13 53.26 . . 1 . . . . . . . . 6335 1 679 . 1 1 60 60 ASN CB C 13 38.99 . . 1 . . . . . . . . 6335 1 680 . 1 1 60 60 ASN N N 15 118.87 . . 1 . . . . . . . . 6335 1 681 . 1 1 60 60 ASN ND2 N 15 112.92 . . 1 . . . . . . . . 6335 1 682 . 1 1 61 61 ALA H H 1 8.07 . . 1 . . . . . . . . 6335 1 683 . 1 1 61 61 ALA HA H 1 4.37 . . 1 . . . . . . . . 6335 1 684 . 1 1 61 61 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 6335 1 685 . 1 1 61 61 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 6335 1 686 . 1 1 61 61 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 6335 1 687 . 1 1 61 61 ALA C C 13 176.86 . . 1 . . . . . . . . 6335 1 688 . 1 1 61 61 ALA CA C 13 52.49 . . 1 . . . . . . . . 6335 1 689 . 1 1 61 61 ALA CB C 13 19.28 . . 1 . . . . . . . . 6335 1 690 . 1 1 61 61 ALA N N 15 124.65 . . 1 . . . . . . . . 6335 1 691 . 1 1 62 62 SER H H 1 7.88 . . 1 . . . . . . . . 6335 1 692 . 1 1 62 62 SER HA H 1 4.22 . . 1 . . . . . . . . 6335 1 693 . 1 1 62 62 SER HB2 H 1 3.82 . . 1 . . . . . . . . 6335 1 694 . 1 1 62 62 SER HB3 H 1 3.82 . . 1 . . . . . . . . 6335 1 695 . 1 1 62 62 SER CA C 13 59.94 . . 1 . . . . . . . . 6335 1 696 . 1 1 62 62 SER CB C 13 64.55 . . 1 . . . . . . . . 6335 1 697 . 1 1 62 62 SER N N 15 120.92 . . 1 . . . . . . . . 6335 1 stop_ save_