data_34125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34125 _Entry.Title ; Cytotoxin-1 in DPC-micelle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-19 _Entry.Accession_date 2017-11-29 _Entry.Last_release_date 2017-11-29 _Entry.Original_release_date 2017-11-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Dubovskii P. V. . . 34125 2 M. Dubinnyi M. A. . . 34125 3 P. Volynsky P. E. . . 34125 4 Y. Pustovalova Y. E. . . 34125 5 A. Konshina A. G. . . 34125 6 Y. Utkin Y. N. . . 34125 7 R. Efremov R. G. . . 34125 8 A. Arseniev A. S. . . 34125 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cobra venom' . 34125 'cytolytic peptide' . 34125 'cytotoxyc activity' . 34125 'three-finger protein' . 34125 toxin . 34125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 414 34125 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-11-30 . original BMRB . 34125 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NQ4 'BMRB Entry Tracking System' 34125 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34125 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15584897 _Citation.Full_citation . _Citation.Title ; Interaction of three-finger toxins with phospholipid membranes: comparison of S- and P-type cytotoxins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 387 _Citation.Journal_issue . _Citation.Journal_ASTM BIJOAK _Citation.Journal_ISSN 1470-8728 _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 807 _Citation.Page_last 815 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Dubovskii P. V. . . 34125 1 2 D. Lesovoy D. M. . . 34125 1 3 M. Dubinnyi M. A. . . 34125 1 4 A. Konshina A. G. . . 34125 1 5 Y. Utkin Y. N. . . 34125 1 6 R. Efremov R. G. . . 34125 1 7 A. Arseniev A. S. . . 34125 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34125 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28990854 _Citation.Full_citation . _Citation.Title ; Impact of membrane partitioning on the spatial structure of an S-type cobra cytotoxin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. Struct. Dyn.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM JBSDD6 _Citation.Journal_ISSN 1538-0254 _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 1 _Citation.Page_last 16 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Dubovskii P. V. . . 34125 2 2 M. Dubinnyi M. A. . . 34125 2 3 P. Volynsky P. E. . . 34125 2 4 Y. Pustovalova Y. E. . . 34125 2 5 A. Konshina A. G. . . 34125 2 6 Y. Utkin Y. N. . . 34125 2 7 A. Arseniev A. S. . . 34125 2 8 R. Efremov R. G. . . 34125 2 9 P. Dubovskii P. V. . . 34125 2 10 D. Lesovoy D. M. . . 34125 2 11 M. Dubinnyi M. A. . . 34125 2 12 A. Konshina A. G. . . 34125 2 13 Y. Utkin Y. N. . . 34125 2 14 R. Efremov R. G. . . 34125 2 15 A. Arseniev A. S. . . 34125 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34125 _Assembly.ID 1 _Assembly.Name 'Cytotoxin 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34125 1 2 entity_2 2 $entity_HOH B A no . . . . . . 34125 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 21 21 SG . . . . . . . . . . . . 34125 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . . . 34125 1 3 disulfide single . 1 . 1 CYS 42 42 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . . . 34125 1 4 disulfide single . 1 . 1 CYS 54 54 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . . . 34125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; LKCNKLVPIAYKTCPEGKNL CYKMFMMSDLTIPVKRGCID VCPKNSLLVKYVCCNTDRCN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6831.339 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CTI na 34125 1 'Cytotoxin I' na 34125 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 . LEU . 34125 1 2 . LYS . 34125 1 3 . CYS . 34125 1 4 . ASN . 34125 1 5 . LYS . 34125 1 6 . LEU . 34125 1 7 . VAL . 34125 1 8 . PRO . 34125 1 9 . ILE . 34125 1 10 . ALA . 34125 1 11 . TYR . 34125 1 12 . LYS . 34125 1 13 . THR . 34125 1 14 . CYS . 34125 1 15 . PRO . 34125 1 16 . GLU . 34125 1 17 . GLY . 34125 1 18 . LYS . 34125 1 19 . ASN . 34125 1 20 . LEU . 34125 1 21 . CYS . 34125 1 22 . TYR . 34125 1 23 . LYS . 34125 1 24 . MET . 34125 1 25 . PHE . 34125 1 26 . MET . 34125 1 27 . MET . 34125 1 28 . SER . 34125 1 29 . ASP . 34125 1 30 . LEU . 34125 1 31 . THR . 34125 1 32 . ILE . 34125 1 33 . PRO . 34125 1 34 . VAL . 34125 1 35 . LYS . 34125 1 36 . ARG . 34125 1 37 . GLY . 34125 1 38 . CYS . 34125 1 39 . ILE . 34125 1 40 . ASP . 34125 1 41 . VAL . 34125 1 42 . CYS . 34125 1 43 . PRO . 34125 1 44 . LYS . 34125 1 45 . ASN . 34125 1 46 . SER . 34125 1 47 . LEU . 34125 1 48 . LEU . 34125 1 49 . VAL . 34125 1 50 . LYS . 34125 1 51 . TYR . 34125 1 52 . VAL . 34125 1 53 . CYS . 34125 1 54 . CYS . 34125 1 55 . ASN . 34125 1 56 . THR . 34125 1 57 . ASP . 34125 1 58 . ARG . 34125 1 59 . CYS . 34125 1 60 . ASN . 34125 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 . LEU 1 1 34125 1 . LYS 2 2 34125 1 . CYS 3 3 34125 1 . ASN 4 4 34125 1 . LYS 5 5 34125 1 . LEU 6 6 34125 1 . VAL 7 7 34125 1 . PRO 8 8 34125 1 . ILE 9 9 34125 1 . ALA 10 10 34125 1 . TYR 11 11 34125 1 . LYS 12 12 34125 1 . THR 13 13 34125 1 . CYS 14 14 34125 1 . PRO 15 15 34125 1 . GLU 16 16 34125 1 . GLY 17 17 34125 1 . LYS 18 18 34125 1 . ASN 19 19 34125 1 . LEU 20 20 34125 1 . CYS 21 21 34125 1 . TYR 22 22 34125 1 . LYS 23 23 34125 1 . MET 24 24 34125 1 . PHE 25 25 34125 1 . MET 26 26 34125 1 . MET 27 27 34125 1 . SER 28 28 34125 1 . ASP 29 29 34125 1 . LEU 30 30 34125 1 . THR 31 31 34125 1 . ILE 32 32 34125 1 . PRO 33 33 34125 1 . VAL 34 34 34125 1 . LYS 35 35 34125 1 . ARG 36 36 34125 1 . GLY 37 37 34125 1 . CYS 38 38 34125 1 . ILE 39 39 34125 1 . ASP 40 40 34125 1 . VAL 41 41 34125 1 . CYS 42 42 34125 1 . PRO 43 43 34125 1 . LYS 44 44 34125 1 . ASN 45 45 34125 1 . SER 46 46 34125 1 . LEU 47 47 34125 1 . LEU 48 48 34125 1 . VAL 49 49 34125 1 . LYS 50 50 34125 1 . TYR 51 51 34125 1 . VAL 52 52 34125 1 . CYS 53 53 34125 1 . CYS 54 54 34125 1 . ASN 55 55 34125 1 . THR 56 56 34125 1 . ASP 57 57 34125 1 . ARG 58 58 34125 1 . CYS 59 59 34125 1 . ASN 60 60 34125 1 stop_ save_ save_entity_HOH _Entity.Sf_category entity _Entity.Sf_framecode entity_HOH _Entity.Entry_ID 34125 _Entity.ID 2 _Entity.BMRB_code HOH _Entity.Name entity_HOH _Entity.Type water _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18.015 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WATER BMRB 34125 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID WATER BMRB 34125 2 HOH 'Three letter code' 34125 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HOH $chem_comp_HOH 34125 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 34125 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 8657 organism . 'Naja oxiana' 'Central Asian cobra' . . Eukaryota Metazoa Naja oxiana . . . . . . . . . . . . . 34125 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 34125 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Naja oxiana' . . . Naja oxiana . . . . . . . . . . 34125 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 34125 _Chem_comp.ID HOH _Chem_comp.Provenance PDB _Chem_comp.Name WATER _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HOH _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H2O/h1H2 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _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 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 34125 HOH O SMILES ACDLabs 10.04 34125 HOH O SMILES CACTVS 3.341 34125 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 34125 HOH O SMILES_CANONICAL CACTVS 3.341 34125 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34125 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 34125 HOH 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 oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34125 HOH water 'SYSTEMATIC NAME' ACDLabs 10.04 34125 HOH 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 O O O O . O . . N 0 . . . 1 no no . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 34125 HOH H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 34125 HOH H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 34125 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 no N 1 . 34125 HOH 2 . SING O H2 no N 2 . 34125 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34125 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 3.0 mM no cytotoxin-1, 180.0 mM fully deuterated dodecylphosphocholine, 50 mM no potassium chloride, 50 M no H2O, 5.5 M 99.9%-deuterated D2O, 0.01 uM no HCl, 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 D2O 99.9%-deuterated . . . . . . 5.5 . . M . . . . 34125 1 2 H2O no . . . . . . 50 . . M . . . . 34125 1 3 HCl no . . . . . . 0.01 . . uM . . . . 34125 1 4 cytotoxin-1 no . . 1 $entity_1 . . 3.0 . . mM . . . . 34125 1 5 dodecylphosphocholine 'fully deuterated' . . . . . . 180.0 . . mM . . . . 34125 1 6 'potassium chloride' no . . . . . . 50 . . mM . . . . 34125 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34125 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 3.0 mM no cytotoxin-1, 180.0 mM fully deuterated dodecylphosphocholine, 50 mM no potassium chloride, 55 M 100%-deuterated D2O, 0.01 uM no HCl, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 100%-deuterated . . . . . . 55 . . M . . . . 34125 2 2 HCl no . . . . . . 0.01 . . uM . . . . 34125 2 3 cytotoxin-1 no . . 1 $entity_1 . . 3.0 . . mM . . . . 34125 2 4 dodecylphosphocholine 'fully deuterated' . . . . . . 180.0 . . mM . . . . 34125 2 5 'potassium chloride' no . . . . . . 50 . . mM . . . . 34125 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34125 _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' 50 0.2 mM 34125 1 pH 6.0 0.1 pH 34125 1 pressure 1 0.01 bar 34125 1 temperature 323 0.1 K 34125 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34125 _Sample_condition_list.ID 2 _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' 50 0.2 mM 34125 2 pH 6.0 0.1 pD 34125 2 pressure 1 0.01 bar 34125 2 temperature 323 0.1 K 34125 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34125 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 1.0.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34125 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34125 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34125 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2001.085.20.47 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34125 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34125 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34125 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34125 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34125 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34125 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version 1.2.11 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34125 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34125 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34125 _Software.ID 5 _Software.Type . _Software.Name xwinnmr _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34125 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34125 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34125 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34125 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 34125 1 2 NMR_spectrometer_2 Varian UNITY . 600 . . . 34125 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 34125 _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 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34125 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34125 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34125 1 4 diffusion no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34125 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 . . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34125 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 . . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34125 1 7 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 . . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34125 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34125 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'all chemical shifts are referenced to water signal' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 'Deuterium Oxide' protons . . . . ppm 4.55 na direct 1 . . . . . 34125 1 H 1 water protons . . . . ppm 4.55 na direct 1 . . . . . 34125 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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 '2D 1H-1H NOESY' . . . 34125 1 2 '2D 1H-1H TOCSY' . . . 34125 1 3 '2D DQF-COSY' . . . 34125 1 4 diffusion . . . 34125 1 5 '2D 1H-1H NOESY' . . . 34125 1 6 '2D 1H-1H TOCSY' . . . 34125 1 7 '2D DQF-COSY' . . . 34125 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU HA H 1 4.2130 0.0050 . 1 . . . . A 1 LEU HA . 34125 1 2 . 1 1 1 1 LEU HB2 H 1 1.5870 0.0040 . 2 . . . . A 1 LEU HB2 . 34125 1 3 . 1 1 1 1 LEU HB3 H 1 1.5870 0.0040 . 2 . . . . A 1 LEU HB3 . 34125 1 4 . 1 1 1 1 LEU HG H 1 1.5440 0.0160 . 1 . . . . A 1 LEU HG . 34125 1 5 . 1 1 1 1 LEU HD11 H 1 0.8970 0.0030 . 1 . . . . A 1 LEU HD11 . 34125 1 6 . 1 1 1 1 LEU HD12 H 1 0.8970 0.0030 . 1 . . . . A 1 LEU HD12 . 34125 1 7 . 1 1 1 1 LEU HD13 H 1 0.8970 0.0030 . 1 . . . . A 1 LEU HD13 . 34125 1 8 . 1 1 1 1 LEU HD21 H 1 0.7880 0.0060 . 1 . . . . A 1 LEU HD21 . 34125 1 9 . 1 1 1 1 LEU HD22 H 1 0.7880 0.0060 . 1 . . . . A 1 LEU HD22 . 34125 1 10 . 1 1 1 1 LEU HD23 H 1 0.7880 0.0060 . 1 . . . . A 1 LEU HD23 . 34125 1 11 . 1 1 2 2 LYS H H 1 8.5880 0.0020 . 1 . . . . A 2 LYS H . 34125 1 12 . 1 1 2 2 LYS HA H 1 5.4340 0.0100 . 1 . . . . A 2 LYS HA . 34125 1 13 . 1 1 2 2 LYS HB2 H 1 1.3970 0.0000 . 2 . . . . A 2 LYS HB2 . 34125 1 14 . 1 1 2 2 LYS HB3 H 1 1.3970 0.0000 . 2 . . . . A 2 LYS HB3 . 34125 1 15 . 1 1 2 2 LYS HD2 H 1 1.2550 0.0000 . 2 . . . . A 2 LYS HD2 . 34125 1 16 . 1 1 2 2 LYS HD3 H 1 1.2550 0.0000 . 2 . . . . A 2 LYS HD3 . 34125 1 17 . 1 1 2 2 LYS HE2 H 1 2.8700 0.0000 . 2 . . . . A 2 LYS HE2 . 34125 1 18 . 1 1 2 2 LYS HE3 H 1 2.8700 0.0000 . 2 . . . . A 2 LYS HE3 . 34125 1 19 . 1 1 3 3 CYS H H 1 8.7600 0.0130 . 1 . . . . A 3 CYS H . 34125 1 20 . 1 1 3 3 CYS HA H 1 5.1550 0.0040 . 1 . . . . A 3 CYS HA . 34125 1 21 . 1 1 3 3 CYS HB2 H 1 2.4750 0.0100 . 1 . . . . A 3 CYS HB2 . 34125 1 22 . 1 1 3 3 CYS HB3 H 1 2.8850 0.0050 . 1 . . . . A 3 CYS HB3 . 34125 1 23 . 1 1 4 4 ASN H H 1 9.8700 0.0100 . 1 . . . . A 4 ASN H . 34125 1 24 . 1 1 4 4 ASN HA H 1 5.0270 0.0050 . 1 . . . . A 4 ASN HA . 34125 1 25 . 1 1 4 4 ASN HB2 H 1 2.4670 0.0040 . 1 . . . . A 4 ASN HB2 . 34125 1 26 . 1 1 4 4 ASN HB3 H 1 2.6800 0.0050 . 1 . . . . A 4 ASN HB3 . 34125 1 27 . 1 1 4 4 ASN HD21 H 1 7.4200 0.0000 . 1 . . . . A 4 ASN HD21 . 34125 1 28 . 1 1 4 4 ASN HD22 H 1 6.5840 0.0040 . 1 . . . . A 4 ASN HD22 . 34125 1 29 . 1 1 5 5 LYS H H 1 7.8040 0.0100 . 1 . . . . A 5 LYS H . 34125 1 30 . 1 1 5 5 LYS HA H 1 4.2400 0.0010 . 1 . . . . A 5 LYS HA . 34125 1 31 . 1 1 5 5 LYS HB2 H 1 1.4980 0.0070 . 1 . . . . A 5 LYS HB2 . 34125 1 32 . 1 1 5 5 LYS HB3 H 1 2.1580 0.0060 . 1 . . . . A 5 LYS HB3 . 34125 1 33 . 1 1 5 5 LYS HG2 H 1 1.2290 0.0020 . 2 . . . . A 5 LYS HG2 . 34125 1 34 . 1 1 5 5 LYS HG3 H 1 1.2290 0.0020 . 2 . . . . A 5 LYS HG3 . 34125 1 35 . 1 1 5 5 LYS HD2 H 1 1.3990 0.0010 . 2 . . . . A 5 LYS HD2 . 34125 1 36 . 1 1 5 5 LYS HD3 H 1 1.3990 0.0010 . 2 . . . . A 5 LYS HD3 . 34125 1 37 . 1 1 6 6 LEU H H 1 8.1150 0.0010 . 1 . . . . A 6 LEU H . 34125 1 38 . 1 1 6 6 LEU HA H 1 3.6070 0.0030 . 1 . . . . A 6 LEU HA . 34125 1 39 . 1 1 6 6 LEU HB2 H 1 1.8340 0.0060 . 1 . . . . A 6 LEU HB2 . 34125 1 40 . 1 1 6 6 LEU HB3 H 1 1.7090 0.0020 . 1 . . . . A 6 LEU HB3 . 34125 1 41 . 1 1 6 6 LEU HG H 1 1.5530 0.0050 . 1 . . . . A 6 LEU HG . 34125 1 42 . 1 1 6 6 LEU HD11 H 1 0.8380 0.0000 . 1 . . . . A 6 LEU HD11 . 34125 1 43 . 1 1 6 6 LEU HD12 H 1 0.8380 0.0000 . 1 . . . . A 6 LEU HD12 . 34125 1 44 . 1 1 6 6 LEU HD13 H 1 0.8380 0.0000 . 1 . . . . A 6 LEU HD13 . 34125 1 45 . 1 1 6 6 LEU HD21 H 1 0.9900 0.0010 . 1 . . . . A 6 LEU HD21 . 34125 1 46 . 1 1 6 6 LEU HD22 H 1 0.9900 0.0010 . 1 . . . . A 6 LEU HD22 . 34125 1 47 . 1 1 6 6 LEU HD23 H 1 0.9900 0.0010 . 1 . . . . A 6 LEU HD23 . 34125 1 48 . 1 1 7 7 VAL H H 1 7.1210 0.0520 . 1 . . . . A 7 VAL H . 34125 1 49 . 1 1 7 7 VAL HA H 1 4.5090 0.0060 . 1 . . . . A 7 VAL HA . 34125 1 50 . 1 1 7 7 VAL HB H 1 2.1560 0.0010 . 1 . . . . A 7 VAL HB . 34125 1 51 . 1 1 7 7 VAL HG11 H 1 1.0000 0.0000 . 2 . . . . A 7 VAL HG11 . 34125 1 52 . 1 1 7 7 VAL HG12 H 1 1.0000 0.0000 . 2 . . . . A 7 VAL HG12 . 34125 1 53 . 1 1 7 7 VAL HG13 H 1 1.0000 0.0000 . 2 . . . . A 7 VAL HG13 . 34125 1 54 . 1 1 7 7 VAL HG21 H 1 1.0000 0.0000 . 2 . . . . A 7 VAL HG21 . 34125 1 55 . 1 1 7 7 VAL HG22 H 1 1.0000 0.0000 . 2 . . . . A 7 VAL HG22 . 34125 1 56 . 1 1 7 7 VAL HG23 H 1 1.0000 0.0000 . 2 . . . . A 7 VAL HG23 . 34125 1 57 . 1 1 8 8 PRO HA H 1 4.6130 0.0020 . 1 . . . . A 8 PRO HA . 34125 1 58 . 1 1 8 8 PRO HB2 H 1 1.8390 0.0050 . 1 . . . . A 8 PRO HB2 . 34125 1 59 . 1 1 8 8 PRO HB3 H 1 2.1450 0.0020 . 1 . . . . A 8 PRO HB3 . 34125 1 60 . 1 1 8 8 PRO HG2 H 1 1.9580 0.0000 . 1 . . . . A 8 PRO HG2 . 34125 1 61 . 1 1 8 8 PRO HG3 H 1 2.3870 0.0020 . 1 . . . . A 8 PRO HG3 . 34125 1 62 . 1 1 8 8 PRO HD2 H 1 3.5960 0.0040 . 1 . . . . A 8 PRO HD2 . 34125 1 63 . 1 1 8 8 PRO HD3 H 1 4.0100 0.0050 . 1 . . . . A 8 PRO HD3 . 34125 1 64 . 1 1 9 9 ILE H H 1 6.8350 0.0060 . 1 . . . . A 9 ILE H . 34125 1 65 . 1 1 9 9 ILE HA H 1 4.3140 0.0070 . 1 . . . . A 9 ILE HA . 34125 1 66 . 1 1 9 9 ILE HB H 1 2.0530 0.0020 . 1 . . . . A 9 ILE HB . 34125 1 67 . 1 1 9 9 ILE HG12 H 1 1.0430 0.0070 . 2 . . . . A 9 ILE HG12 . 34125 1 68 . 1 1 9 9 ILE HG13 H 1 1.0430 0.0070 . 2 . . . . A 9 ILE HG13 . 34125 1 69 . 1 1 9 9 ILE HG21 H 1 0.9460 0.0040 . 1 . . . . A 9 ILE HG21 . 34125 1 70 . 1 1 9 9 ILE HG22 H 1 0.9460 0.0040 . 1 . . . . A 9 ILE HG22 . 34125 1 71 . 1 1 9 9 ILE HG23 H 1 0.9460 0.0040 . 1 . . . . A 9 ILE HG23 . 34125 1 72 . 1 1 9 9 ILE HD11 H 1 1.3880 0.0040 . 1 . . . . A 9 ILE HD11 . 34125 1 73 . 1 1 9 9 ILE HD12 H 1 1.3880 0.0040 . 1 . . . . A 9 ILE HD12 . 34125 1 74 . 1 1 9 9 ILE HD13 H 1 1.3880 0.0040 . 1 . . . . A 9 ILE HD13 . 34125 1 75 . 1 1 10 10 ALA H H 1 7.9600 0.0070 . 1 . . . . A 10 ALA H . 34125 1 76 . 1 1 10 10 ALA HA H 1 4.7160 0.0030 . 1 . . . . A 10 ALA HA . 34125 1 77 . 1 1 10 10 ALA HB1 H 1 1.4030 0.0020 . 1 . . . . A 10 ALA HB1 . 34125 1 78 . 1 1 10 10 ALA HB2 H 1 1.4030 0.0020 . 1 . . . . A 10 ALA HB2 . 34125 1 79 . 1 1 10 10 ALA HB3 H 1 1.4030 0.0020 . 1 . . . . A 10 ALA HB3 . 34125 1 80 . 1 1 11 11 TYR H H 1 7.8160 0.0010 . 1 . . . . A 11 TYR H . 34125 1 81 . 1 1 11 11 TYR HA H 1 5.3710 0.0040 . 1 . . . . A 11 TYR HA . 34125 1 82 . 1 1 11 11 TYR HB2 H 1 2.6670 0.0020 . 1 . . . . A 11 TYR HB2 . 34125 1 83 . 1 1 11 11 TYR HB3 H 1 2.9020 0.0020 . 1 . . . . A 11 TYR HB3 . 34125 1 84 . 1 1 11 11 TYR HD1 H 1 6.7110 0.0020 . 3 . . . . A 11 TYR HD1 . 34125 1 85 . 1 1 11 11 TYR HD2 H 1 6.7110 0.0020 . 3 . . . . A 11 TYR HD2 . 34125 1 86 . 1 1 11 11 TYR HE1 H 1 6.8110 0.0020 . 3 . . . . A 11 TYR HE1 . 34125 1 87 . 1 1 11 11 TYR HE2 H 1 6.8110 0.0020 . 3 . . . . A 11 TYR HE2 . 34125 1 88 . 1 1 12 12 LYS H H 1 9.0360 0.0160 . 1 . . . . A 12 LYS H . 34125 1 89 . 1 1 12 12 LYS HA H 1 4.8260 0.0080 . 1 . . . . A 12 LYS HA . 34125 1 90 . 1 1 12 12 LYS HB2 H 1 1.7260 0.0160 . 1 . . . . A 12 LYS HB2 . 34125 1 91 . 1 1 12 12 LYS HB3 H 1 1.4310 0.0100 . 1 . . . . A 12 LYS HB3 . 34125 1 92 . 1 1 12 12 LYS HG2 H 1 1.2590 0.0060 . 1 . . . . A 12 LYS HG2 . 34125 1 93 . 1 1 12 12 LYS HD2 H 1 1.8370 0.0110 . 2 . . . . A 12 LYS HD2 . 34125 1 94 . 1 1 12 12 LYS HD3 H 1 1.8370 0.0110 . 2 . . . . A 12 LYS HD3 . 34125 1 95 . 1 1 12 12 LYS HE2 H 1 3.0050 0.0040 . 2 . . . . A 12 LYS HE2 . 34125 1 96 . 1 1 12 12 LYS HE3 H 1 3.0050 0.0040 . 2 . . . . A 12 LYS HE3 . 34125 1 97 . 1 1 13 13 THR H H 1 8.6860 0.0030 . 1 . . . . A 13 THR H . 34125 1 98 . 1 1 13 13 THR HA H 1 4.6810 0.0030 . 1 . . . . A 13 THR HA . 34125 1 99 . 1 1 13 13 THR HB H 1 4.1020 0.0050 . 1 . . . . A 13 THR HB . 34125 1 100 . 1 1 13 13 THR HG21 H 1 1.3040 0.0020 . 1 . . . . A 13 THR HG21 . 34125 1 101 . 1 1 13 13 THR HG22 H 1 1.3040 0.0020 . 1 . . . . A 13 THR HG22 . 34125 1 102 . 1 1 13 13 THR HG23 H 1 1.3040 0.0020 . 1 . . . . A 13 THR HG23 . 34125 1 103 . 1 1 14 14 CYS H H 1 9.0850 0.0040 . 1 . . . . A 14 CYS H . 34125 1 104 . 1 1 14 14 CYS HA H 1 5.0230 0.0040 . 1 . . . . A 14 CYS HA . 34125 1 105 . 1 1 14 14 CYS HB2 H 1 2.8620 0.0050 . 1 . . . . A 14 CYS HB2 . 34125 1 106 . 1 1 14 14 CYS HB3 H 1 3.5190 0.0060 . 1 . . . . A 14 CYS HB3 . 34125 1 107 . 1 1 15 15 PRO HA H 1 4.6340 0.0010 . 1 . . . . A 15 PRO HA . 34125 1 108 . 1 1 15 15 PRO HB2 H 1 2.4360 0.0060 . 1 . . . . A 15 PRO HB2 . 34125 1 109 . 1 1 15 15 PRO HB3 H 1 1.9670 0.0010 . 1 . . . . A 15 PRO HB3 . 34125 1 110 . 1 1 15 15 PRO HG3 H 1 2.1940 0.0030 . 1 . . . . A 15 PRO HG3 . 34125 1 111 . 1 1 15 15 PRO HD2 H 1 3.4690 0.0090 . 1 . . . . A 15 PRO HD2 . 34125 1 112 . 1 1 15 15 PRO HD3 H 1 4.0240 0.0050 . 1 . . . . A 15 PRO HD3 . 34125 1 113 . 1 1 16 16 GLU H H 1 8.4730 0.0060 . 1 . . . . A 16 GLU H . 34125 1 114 . 1 1 16 16 GLU HA H 1 4.0510 0.0020 . 1 . . . . A 16 GLU HA . 34125 1 115 . 1 1 16 16 GLU HB2 H 1 2.0020 0.0020 . 2 . . . . A 16 GLU HB2 . 34125 1 116 . 1 1 16 16 GLU HB3 H 1 2.0020 0.0020 . 2 . . . . A 16 GLU HB3 . 34125 1 117 . 1 1 16 16 GLU HG2 H 1 2.3240 0.0030 . 2 . . . . A 16 GLU HG2 . 34125 1 118 . 1 1 16 16 GLU HG3 H 1 2.3240 0.0030 . 2 . . . . A 16 GLU HG3 . 34125 1 119 . 1 1 17 17 GLY H H 1 8.7500 0.0010 . 1 . . . . A 17 GLY H . 34125 1 120 . 1 1 17 17 GLY HA2 H 1 3.7010 0.0030 . 1 . . . . A 17 GLY HA2 . 34125 1 121 . 1 1 17 17 GLY HA3 H 1 4.3190 0.0030 . 1 . . . . A 17 GLY HA3 . 34125 1 122 . 1 1 18 18 LYS H H 1 7.6060 0.0010 . 1 . . . . A 18 LYS H . 34125 1 123 . 1 1 18 18 LYS HA H 1 4.3070 0.0020 . 1 . . . . A 18 LYS HA . 34125 1 124 . 1 1 18 18 LYS HB2 H 1 1.9550 0.0050 . 2 . . . . A 18 LYS HB2 . 34125 1 125 . 1 1 18 18 LYS HB3 H 1 1.9550 0.0050 . 2 . . . . A 18 LYS HB3 . 34125 1 126 . 1 1 18 18 LYS HG2 H 1 1.1500 0.0030 . 1 . . . . A 18 LYS HG2 . 34125 1 127 . 1 1 18 18 LYS HG3 H 1 1.3780 0.0040 . 1 . . . . A 18 LYS HG3 . 34125 1 128 . 1 1 18 18 LYS HD2 H 1 1.4270 0.0000 . 2 . . . . A 18 LYS HD2 . 34125 1 129 . 1 1 18 18 LYS HD3 H 1 1.4270 0.0000 . 2 . . . . A 18 LYS HD3 . 34125 1 130 . 1 1 18 18 LYS HE2 H 1 2.9820 0.0040 . 2 . . . . A 18 LYS HE2 . 34125 1 131 . 1 1 18 18 LYS HE3 H 1 2.9820 0.0040 . 2 . . . . A 18 LYS HE3 . 34125 1 132 . 1 1 19 19 ASN H H 1 7.8010 0.0120 . 1 . . . . A 19 ASN H . 34125 1 133 . 1 1 19 19 ASN HA H 1 4.9300 0.0030 . 1 . . . . A 19 ASN HA . 34125 1 134 . 1 1 19 19 ASN HB2 H 1 2.6800 0.0010 . 1 . . . . A 19 ASN HB2 . 34125 1 135 . 1 1 19 19 ASN HB3 H 1 3.0450 0.0040 . 1 . . . . A 19 ASN HB3 . 34125 1 136 . 1 1 19 19 ASN HD21 H 1 7.3890 0.0020 . 1 . . . . A 19 ASN HD21 . 34125 1 137 . 1 1 19 19 ASN HD22 H 1 6.9280 0.0000 . 1 . . . . A 19 ASN HD22 . 34125 1 138 . 1 1 20 20 LEU H H 1 8.2220 0.0070 . 1 . . . . A 20 LEU H . 34125 1 139 . 1 1 20 20 LEU HA H 1 4.8750 0.0020 . 1 . . . . A 20 LEU HA . 34125 1 140 . 1 1 20 20 LEU HB2 H 1 1.6910 0.0010 . 1 . . . . A 20 LEU HB2 . 34125 1 141 . 1 1 20 20 LEU HB3 H 1 1.4150 0.0020 . 1 . . . . A 20 LEU HB3 . 34125 1 142 . 1 1 20 20 LEU HG H 1 1.5560 0.0040 . 1 . . . . A 20 LEU HG . 34125 1 143 . 1 1 20 20 LEU HD11 H 1 0.7730 0.0010 . 1 . . . . A 20 LEU HD11 . 34125 1 144 . 1 1 20 20 LEU HD12 H 1 0.7730 0.0010 . 1 . . . . A 20 LEU HD12 . 34125 1 145 . 1 1 20 20 LEU HD13 H 1 0.7730 0.0010 . 1 . . . . A 20 LEU HD13 . 34125 1 146 . 1 1 20 20 LEU HD21 H 1 0.8840 0.0130 . 1 . . . . A 20 LEU HD21 . 34125 1 147 . 1 1 20 20 LEU HD22 H 1 0.8840 0.0130 . 1 . . . . A 20 LEU HD22 . 34125 1 148 . 1 1 20 20 LEU HD23 H 1 0.8840 0.0130 . 1 . . . . A 20 LEU HD23 . 34125 1 149 . 1 1 21 21 CYS H H 1 9.0050 0.0010 . 1 . . . . A 21 CYS H . 34125 1 150 . 1 1 21 21 CYS HA H 1 6.1330 0.0020 . 1 . . . . A 21 CYS HA . 34125 1 151 . 1 1 21 21 CYS HB2 H 1 2.9740 0.0090 . 1 . . . . A 21 CYS HB2 . 34125 1 152 . 1 1 21 21 CYS HB3 H 1 3.0820 0.0030 . 1 . . . . A 21 CYS HB3 . 34125 1 153 . 1 1 22 22 TYR H H 1 8.9180 0.0110 . 1 . . . . A 22 TYR H . 34125 1 154 . 1 1 22 22 TYR HA H 1 6.1360 0.0030 . 1 . . . . A 22 TYR HA . 34125 1 155 . 1 1 22 22 TYR HB2 H 1 3.1530 0.0040 . 1 . . . . A 22 TYR HB2 . 34125 1 156 . 1 1 22 22 TYR HB3 H 1 2.9740 0.0040 . 1 . . . . A 22 TYR HB3 . 34125 1 157 . 1 1 22 22 TYR HD1 H 1 6.6370 0.0040 . 3 . . . . A 22 TYR HD1 . 34125 1 158 . 1 1 22 22 TYR HD2 H 1 6.6370 0.0040 . 3 . . . . A 22 TYR HD2 . 34125 1 159 . 1 1 22 22 TYR HE1 H 1 6.8730 0.0040 . 3 . . . . A 22 TYR HE1 . 34125 1 160 . 1 1 22 22 TYR HE2 H 1 6.8730 0.0040 . 3 . . . . A 22 TYR HE2 . 34125 1 161 . 1 1 23 23 LYS H H 1 9.0690 0.0060 . 1 . . . . A 23 LYS H . 34125 1 162 . 1 1 23 23 LYS HA H 1 4.8240 0.0080 . 1 . . . . A 23 LYS HA . 34125 1 163 . 1 1 23 23 LYS HB2 H 1 1.5230 0.0000 . 1 . . . . A 23 LYS HB2 . 34125 1 164 . 1 1 23 23 LYS HB3 H 1 1.6200 0.0000 . 1 . . . . A 23 LYS HB3 . 34125 1 165 . 1 1 23 23 LYS HG2 H 1 1.4300 0.0000 . 2 . . . . A 23 LYS HG2 . 34125 1 166 . 1 1 23 23 LYS HG3 H 1 1.4300 0.0000 . 2 . . . . A 23 LYS HG3 . 34125 1 167 . 1 1 23 23 LYS HD2 H 1 1.4400 0.0050 . 2 . . . . A 23 LYS HD2 . 34125 1 168 . 1 1 23 23 LYS HD3 H 1 1.4400 0.0050 . 2 . . . . A 23 LYS HD3 . 34125 1 169 . 1 1 23 23 LYS HE2 H 1 2.9840 0.0090 . 2 . . . . A 23 LYS HE2 . 34125 1 170 . 1 1 23 23 LYS HE3 H 1 2.9840 0.0090 . 2 . . . . A 23 LYS HE3 . 34125 1 171 . 1 1 24 24 MET H H 1 8.4170 0.0050 . 1 . . . . A 24 MET H . 34125 1 172 . 1 1 24 24 MET HA H 1 5.0910 0.0060 . 1 . . . . A 24 MET HA . 34125 1 173 . 1 1 24 24 MET HB2 H 1 1.9610 0.0040 . 1 . . . . A 24 MET HB2 . 34125 1 174 . 1 1 24 24 MET HB3 H 1 1.7720 0.0050 . 1 . . . . A 24 MET HB3 . 34125 1 175 . 1 1 24 24 MET HG2 H 1 1.3200 0.0000 . 1 . . . . A 24 MET HG2 . 34125 1 176 . 1 1 24 24 MET HG3 H 1 1.6000 0.0000 . 1 . . . . A 24 MET HG3 . 34125 1 177 . 1 1 25 25 PHE H H 1 9.4580 0.0050 . 1 . . . . A 25 PHE H . 34125 1 178 . 1 1 25 25 PHE HA H 1 4.9290 0.0040 . 1 . . . . A 25 PHE HA . 34125 1 179 . 1 1 25 25 PHE HB2 H 1 2.4460 0.0090 . 1 . . . . A 25 PHE HB2 . 34125 1 180 . 1 1 25 25 PHE HB3 H 1 3.1880 0.0090 . 1 . . . . A 25 PHE HB3 . 34125 1 181 . 1 1 25 25 PHE HD1 H 1 7.0650 0.0030 . 3 . . . . A 25 PHE HD1 . 34125 1 182 . 1 1 25 25 PHE HD2 H 1 7.0650 0.0030 . 3 . . . . A 25 PHE HD2 . 34125 1 183 . 1 1 25 25 PHE HE1 H 1 7.1380 0.0040 . 3 . . . . A 25 PHE HE1 . 34125 1 184 . 1 1 25 25 PHE HE2 H 1 7.1380 0.0040 . 3 . . . . A 25 PHE HE2 . 34125 1 185 . 1 1 25 25 PHE HZ H 1 7.2430 0.0010 . 1 . . . . A 25 PHE HZ . 34125 1 186 . 1 1 26 26 MET H H 1 9.5650 0.0060 . 1 . . . . A 26 MET H . 34125 1 187 . 1 1 26 26 MET HA H 1 5.1370 0.0040 . 1 . . . . A 26 MET HA . 34125 1 188 . 1 1 26 26 MET HB2 H 1 2.0530 0.0120 . 1 . . . . A 26 MET HB2 . 34125 1 189 . 1 1 26 26 MET HB3 H 1 2.1310 0.0080 . 1 . . . . A 26 MET HB3 . 34125 1 190 . 1 1 26 26 MET HG2 H 1 2.4840 0.0090 . 1 . . . . A 26 MET HG2 . 34125 1 191 . 1 1 26 26 MET HG3 H 1 2.6140 0.0140 . 1 . . . . A 26 MET HG3 . 34125 1 192 . 1 1 27 27 MET H H 1 8.7480 0.0070 . 1 . . . . A 27 MET H . 34125 1 193 . 1 1 27 27 MET HA H 1 4.0050 0.0140 . 1 . . . . A 27 MET HA . 34125 1 194 . 1 1 27 27 MET HB2 H 1 2.3380 0.0100 . 1 . . . . A 27 MET HB2 . 34125 1 195 . 1 1 27 27 MET HB3 H 1 2.1320 0.0190 . 1 . . . . A 27 MET HB3 . 34125 1 196 . 1 1 27 27 MET HG2 H 1 2.5100 0.0000 . 1 . . . . A 27 MET HG2 . 34125 1 197 . 1 1 27 27 MET HG3 H 1 2.6040 0.0030 . 1 . . . . A 27 MET HG3 . 34125 1 198 . 1 1 28 28 SER HA H 1 4.5670 0.0020 . 1 . . . . A 28 SER HA . 34125 1 199 . 1 1 28 28 SER HB2 H 1 3.5360 0.0020 . 1 . . . . A 28 SER HB2 . 34125 1 200 . 1 1 28 28 SER HB3 H 1 3.9850 0.0020 . 1 . . . . A 28 SER HB3 . 34125 1 201 . 1 1 29 29 ASP H H 1 8.4300 0.0000 . 1 . . . . A 29 ASP H . 34125 1 202 . 1 1 29 29 ASP HA H 1 5.0300 0.0000 . 1 . . . . A 29 ASP HA . 34125 1 203 . 1 1 29 29 ASP HB2 H 1 2.1840 0.0000 . 1 . . . . A 29 ASP HB2 . 34125 1 204 . 1 1 29 29 ASP HB3 H 1 2.4360 0.0000 . 1 . . . . A 29 ASP HB3 . 34125 1 205 . 1 1 30 30 LEU H H 1 7.9180 0.0000 . 1 . . . . A 30 LEU H . 34125 1 206 . 1 1 30 30 LEU HA H 1 4.3150 0.0070 . 1 . . . . A 30 LEU HA . 34125 1 207 . 1 1 30 30 LEU HB2 H 1 1.5260 0.0000 . 1 . . . . A 30 LEU HB2 . 34125 1 208 . 1 1 30 30 LEU HG H 1 1.6090 0.0010 . 1 . . . . A 30 LEU HG . 34125 1 209 . 1 1 30 30 LEU HD11 H 1 0.8970 0.0020 . 1 . . . . A 30 LEU HD11 . 34125 1 210 . 1 1 30 30 LEU HD12 H 1 0.8970 0.0020 . 1 . . . . A 30 LEU HD12 . 34125 1 211 . 1 1 30 30 LEU HD13 H 1 0.8970 0.0020 . 1 . . . . A 30 LEU HD13 . 34125 1 212 . 1 1 30 30 LEU HD21 H 1 0.7810 0.0000 . 1 . . . . A 30 LEU HD21 . 34125 1 213 . 1 1 30 30 LEU HD22 H 1 0.7810 0.0000 . 1 . . . . A 30 LEU HD22 . 34125 1 214 . 1 1 30 30 LEU HD23 H 1 0.7810 0.0000 . 1 . . . . A 30 LEU HD23 . 34125 1 215 . 1 1 31 31 THR H H 1 8.4330 0.0010 . 1 . . . . A 31 THR H . 34125 1 216 . 1 1 31 31 THR HA H 1 4.5190 0.0060 . 1 . . . . A 31 THR HA . 34125 1 217 . 1 1 31 31 THR HB H 1 4.4050 0.0070 . 1 . . . . A 31 THR HB . 34125 1 218 . 1 1 31 31 THR HG21 H 1 1.2970 0.0060 . 1 . . . . A 31 THR HG21 . 34125 1 219 . 1 1 31 31 THR HG22 H 1 1.2970 0.0060 . 1 . . . . A 31 THR HG22 . 34125 1 220 . 1 1 31 31 THR HG23 H 1 1.2970 0.0060 . 1 . . . . A 31 THR HG23 . 34125 1 221 . 1 1 32 32 ILE H H 1 7.4360 0.0050 . 1 . . . . A 32 ILE H . 34125 1 222 . 1 1 32 32 ILE HA H 1 4.8250 0.0030 . 1 . . . . A 32 ILE HA . 34125 1 223 . 1 1 32 32 ILE HB H 1 1.8760 0.0000 . 1 . . . . A 32 ILE HB . 34125 1 224 . 1 1 32 32 ILE HG12 H 1 0.9340 0.0170 . 1 . . . . A 32 ILE HG12 . 34125 1 225 . 1 1 32 32 ILE HG13 H 1 1.2320 0.0000 . 1 . . . . A 32 ILE HG13 . 34125 1 226 . 1 1 32 32 ILE HG21 H 1 1.0350 0.0080 . 1 . . . . A 32 ILE HG21 . 34125 1 227 . 1 1 32 32 ILE HG22 H 1 1.0350 0.0080 . 1 . . . . A 32 ILE HG22 . 34125 1 228 . 1 1 32 32 ILE HG23 H 1 1.0350 0.0080 . 1 . . . . A 32 ILE HG23 . 34125 1 229 . 1 1 32 32 ILE HD11 H 1 1.6670 0.0000 . 1 . . . . A 32 ILE HD11 . 34125 1 230 . 1 1 32 32 ILE HD12 H 1 1.6670 0.0000 . 1 . . . . A 32 ILE HD12 . 34125 1 231 . 1 1 32 32 ILE HD13 H 1 1.6670 0.0000 . 1 . . . . A 32 ILE HD13 . 34125 1 232 . 1 1 33 33 PRO HA H 1 4.1220 0.0040 . 1 . . . . A 33 PRO HA . 34125 1 233 . 1 1 33 33 PRO HB2 H 1 1.3200 0.0000 . 1 . . . . A 33 PRO HB2 . 34125 1 234 . 1 1 33 33 PRO HB3 H 1 1.5650 0.0000 . 1 . . . . A 33 PRO HB3 . 34125 1 235 . 1 1 33 33 PRO HG2 H 1 1.7130 0.0020 . 1 . . . . A 33 PRO HG2 . 34125 1 236 . 1 1 33 33 PRO HG3 H 1 1.8440 0.0000 . 1 . . . . A 33 PRO HG3 . 34125 1 237 . 1 1 33 33 PRO HD2 H 1 3.6330 0.0080 . 1 . . . . A 33 PRO HD2 . 34125 1 238 . 1 1 33 33 PRO HD3 H 1 4.0840 0.0070 . 1 . . . . A 33 PRO HD3 . 34125 1 239 . 1 1 34 34 VAL H H 1 8.2470 0.0110 . 1 . . . . A 34 VAL H . 34125 1 240 . 1 1 34 34 VAL HA H 1 4.3890 0.0020 . 1 . . . . A 34 VAL HA . 34125 1 241 . 1 1 34 34 VAL HB H 1 2.3820 0.0030 . 1 . . . . A 34 VAL HB . 34125 1 242 . 1 1 34 34 VAL HG11 H 1 1.0370 0.0020 . 1 . . . . A 34 VAL HG11 . 34125 1 243 . 1 1 34 34 VAL HG12 H 1 1.0370 0.0020 . 1 . . . . A 34 VAL HG12 . 34125 1 244 . 1 1 34 34 VAL HG13 H 1 1.0370 0.0020 . 1 . . . . A 34 VAL HG13 . 34125 1 245 . 1 1 34 34 VAL HG21 H 1 0.8140 0.0020 . 1 . . . . A 34 VAL HG21 . 34125 1 246 . 1 1 34 34 VAL HG22 H 1 0.8140 0.0020 . 1 . . . . A 34 VAL HG22 . 34125 1 247 . 1 1 34 34 VAL HG23 H 1 0.8140 0.0020 . 1 . . . . A 34 VAL HG23 . 34125 1 248 . 1 1 35 35 LYS H H 1 7.2230 0.0050 . 1 . . . . A 35 LYS H . 34125 1 249 . 1 1 35 35 LYS HA H 1 4.4500 0.0000 . 1 . . . . A 35 LYS HA . 34125 1 250 . 1 1 35 35 LYS HB2 H 1 1.8480 0.0000 . 1 . . . . A 35 LYS HB2 . 34125 1 251 . 1 1 35 35 LYS HB3 H 1 1.9220 0.0040 . 1 . . . . A 35 LYS HB3 . 34125 1 252 . 1 1 35 35 LYS HG2 H 1 1.6780 0.0000 . 2 . . . . A 35 LYS HG2 . 34125 1 253 . 1 1 35 35 LYS HG3 H 1 1.6780 0.0000 . 2 . . . . A 35 LYS HG3 . 34125 1 254 . 1 1 35 35 LYS HD2 H 1 1.8280 0.0000 . 2 . . . . A 35 LYS HD2 . 34125 1 255 . 1 1 35 35 LYS HD3 H 1 1.8280 0.0000 . 2 . . . . A 35 LYS HD3 . 34125 1 256 . 1 1 35 35 LYS HE2 H 1 3.1060 0.0000 . 2 . . . . A 35 LYS HE2 . 34125 1 257 . 1 1 35 35 LYS HE3 H 1 3.1060 0.0000 . 2 . . . . A 35 LYS HE3 . 34125 1 258 . 1 1 36 36 ARG H H 1 8.1250 0.0070 . 1 . . . . A 36 ARG H . 34125 1 259 . 1 1 36 36 ARG HA H 1 4.4480 0.0070 . 1 . . . . A 36 ARG HA . 34125 1 260 . 1 1 36 36 ARG HB2 H 1 1.5190 0.0050 . 1 . . . . A 36 ARG HB2 . 34125 1 261 . 1 1 36 36 ARG HB3 H 1 1.1130 0.0010 . 1 . . . . A 36 ARG HB3 . 34125 1 262 . 1 1 36 36 ARG HG2 H 1 1.2870 0.0000 . 1 . . . . A 36 ARG HG2 . 34125 1 263 . 1 1 37 37 GLY H H 1 6.4210 0.0010 . 1 . . . . A 37 GLY H . 34125 1 264 . 1 1 37 37 GLY HA2 H 1 3.8620 0.0090 . 1 . . . . A 37 GLY HA2 . 34125 1 265 . 1 1 37 37 GLY HA3 H 1 4.1590 0.0240 . 1 . . . . A 37 GLY HA3 . 34125 1 266 . 1 1 38 38 CYS H H 1 8.6590 0.0490 . 1 . . . . A 38 CYS H . 34125 1 267 . 1 1 38 38 CYS HA H 1 5.9660 0.0160 . 1 . . . . A 38 CYS HA . 34125 1 268 . 1 1 38 38 CYS HB2 H 1 3.4930 0.0040 . 1 . . . . A 38 CYS HB2 . 34125 1 269 . 1 1 38 38 CYS HB3 H 1 2.9770 0.0350 . 1 . . . . A 38 CYS HB3 . 34125 1 270 . 1 1 39 39 ILE H H 1 9.8510 0.0110 . 1 . . . . A 39 ILE H . 34125 1 271 . 1 1 39 39 ILE HA H 1 4.4480 0.0020 . 1 . . . . A 39 ILE HA . 34125 1 272 . 1 1 39 39 ILE HB H 1 1.7850 0.0040 . 1 . . . . A 39 ILE HB . 34125 1 273 . 1 1 39 39 ILE HG12 H 1 1.4810 0.0010 . 1 . . . . A 39 ILE HG12 . 34125 1 274 . 1 1 39 39 ILE HG13 H 1 1.6920 0.0020 . 1 . . . . A 39 ILE HG13 . 34125 1 275 . 1 1 39 39 ILE HG21 H 1 0.6220 0.0040 . 1 . . . . A 39 ILE HG21 . 34125 1 276 . 1 1 39 39 ILE HG22 H 1 0.6220 0.0040 . 1 . . . . A 39 ILE HG22 . 34125 1 277 . 1 1 39 39 ILE HG23 H 1 0.6220 0.0040 . 1 . . . . A 39 ILE HG23 . 34125 1 278 . 1 1 39 39 ILE HD11 H 1 0.4600 0.0040 . 1 . . . . A 39 ILE HD11 . 34125 1 279 . 1 1 39 39 ILE HD12 H 1 0.4600 0.0040 . 1 . . . . A 39 ILE HD12 . 34125 1 280 . 1 1 39 39 ILE HD13 H 1 0.4600 0.0040 . 1 . . . . A 39 ILE HD13 . 34125 1 281 . 1 1 40 40 ASP H H 1 8.7570 0.0010 . 1 . . . . A 40 ASP H . 34125 1 282 . 1 1 40 40 ASP HA H 1 4.8940 0.0070 . 1 . . . . A 40 ASP HA . 34125 1 283 . 1 1 40 40 ASP HB2 H 1 2.8070 0.0010 . 2 . . . . A 40 ASP HB2 . 34125 1 284 . 1 1 40 40 ASP HB3 H 1 2.8070 0.0010 . 2 . . . . A 40 ASP HB3 . 34125 1 285 . 1 1 41 41 VAL H H 1 7.7050 0.0000 . 1 . . . . A 41 VAL H . 34125 1 286 . 1 1 41 41 VAL HA H 1 4.0620 0.0010 . 1 . . . . A 41 VAL HA . 34125 1 287 . 1 1 41 41 VAL HB H 1 1.7590 0.0080 . 1 . . . . A 41 VAL HB . 34125 1 288 . 1 1 41 41 VAL HG11 H 1 0.7850 0.0000 . 2 . . . . A 41 VAL HG11 . 34125 1 289 . 1 1 41 41 VAL HG12 H 1 0.7850 0.0000 . 2 . . . . A 41 VAL HG12 . 34125 1 290 . 1 1 41 41 VAL HG13 H 1 0.7850 0.0000 . 2 . . . . A 41 VAL HG13 . 34125 1 291 . 1 1 41 41 VAL HG21 H 1 0.7850 0.0000 . 2 . . . . A 41 VAL HG21 . 34125 1 292 . 1 1 41 41 VAL HG22 H 1 0.7850 0.0000 . 2 . . . . A 41 VAL HG22 . 34125 1 293 . 1 1 41 41 VAL HG23 H 1 0.7850 0.0000 . 2 . . . . A 41 VAL HG23 . 34125 1 294 . 1 1 42 42 CYS H H 1 8.7510 0.0030 . 1 . . . . A 42 CYS H . 34125 1 295 . 1 1 42 42 CYS HA H 1 4.5100 0.0030 . 1 . . . . A 42 CYS HA . 34125 1 296 . 1 1 42 42 CYS HB2 H 1 2.7780 0.0020 . 1 . . . . A 42 CYS HB2 . 34125 1 297 . 1 1 42 42 CYS HB3 H 1 3.1200 0.0010 . 1 . . . . A 42 CYS HB3 . 34125 1 298 . 1 1 43 43 PRO HA H 1 4.1170 0.0030 . 1 . . . . A 43 PRO HA . 34125 1 299 . 1 1 43 43 PRO HB2 H 1 0.7680 0.0090 . 1 . . . . A 43 PRO HB2 . 34125 1 300 . 1 1 43 43 PRO HB3 H 1 1.8590 0.0040 . 1 . . . . A 43 PRO HB3 . 34125 1 301 . 1 1 43 43 PRO HG2 H 1 0.5370 0.0020 . 1 . . . . A 43 PRO HG2 . 34125 1 302 . 1 1 43 43 PRO HG3 H 1 1.2270 0.0040 . 1 . . . . A 43 PRO HG3 . 34125 1 303 . 1 1 43 43 PRO HD2 H 1 2.4200 0.0040 . 1 . . . . A 43 PRO HD2 . 34125 1 304 . 1 1 43 43 PRO HD3 H 1 3.8650 0.0030 . 1 . . . . A 43 PRO HD3 . 34125 1 305 . 1 1 44 44 LYS H H 1 7.7810 0.0010 . 1 . . . . A 44 LYS H . 34125 1 306 . 1 1 44 44 LYS HA H 1 4.2410 0.0050 . 1 . . . . A 44 LYS HA . 34125 1 307 . 1 1 44 44 LYS HB2 H 1 1.7370 0.0060 . 1 . . . . A 44 LYS HB2 . 34125 1 308 . 1 1 44 44 LYS HB3 H 1 1.8560 0.0020 . 1 . . . . A 44 LYS HB3 . 34125 1 309 . 1 1 44 44 LYS HG2 H 1 1.5710 0.0010 . 2 . . . . A 44 LYS HG2 . 34125 1 310 . 1 1 44 44 LYS HG3 H 1 1.5710 0.0010 . 2 . . . . A 44 LYS HG3 . 34125 1 311 . 1 1 44 44 LYS HE2 H 1 3.0440 0.0260 . 2 . . . . A 44 LYS HE2 . 34125 1 312 . 1 1 44 44 LYS HE3 H 1 3.0440 0.0260 . 2 . . . . A 44 LYS HE3 . 34125 1 313 . 1 1 45 45 ASN H H 1 8.3410 0.0020 . 1 . . . . A 45 ASN H . 34125 1 314 . 1 1 45 45 ASN HA H 1 5.0310 0.0060 . 1 . . . . A 45 ASN HA . 34125 1 315 . 1 1 45 45 ASN HB2 H 1 2.9380 0.0000 . 1 . . . . A 45 ASN HB2 . 34125 1 316 . 1 1 45 45 ASN HB3 H 1 3.0770 0.0090 . 1 . . . . A 45 ASN HB3 . 34125 1 317 . 1 1 45 45 ASN HD21 H 1 7.5700 0.0000 . 1 . . . . A 45 ASN HD21 . 34125 1 318 . 1 1 45 45 ASN HD22 H 1 7.3890 0.0010 . 1 . . . . A 45 ASN HD22 . 34125 1 319 . 1 1 46 46 SER H H 1 9.0490 0.0050 . 1 . . . . A 46 SER H . 34125 1 320 . 1 1 46 46 SER HA H 1 4.9490 0.0020 . 1 . . . . A 46 SER HA . 34125 1 321 . 1 1 46 46 SER HB2 H 1 4.4450 0.0040 . 1 . . . . A 46 SER HB2 . 34125 1 322 . 1 1 46 46 SER HB3 H 1 3.9930 0.0010 . 1 . . . . A 46 SER HB3 . 34125 1 323 . 1 1 46 46 SER HG H 1 4.5770 0.0000 . 1 . . . . A 46 SER HG . 34125 1 324 . 1 1 47 47 LEU H H 1 8.4540 0.0150 . 1 . . . . A 47 LEU H . 34125 1 325 . 1 1 47 47 LEU HA H 1 4.1860 0.0060 . 1 . . . . A 47 LEU HA . 34125 1 326 . 1 1 47 47 LEU HB2 H 1 1.8060 0.0030 . 1 . . . . A 47 LEU HB2 . 34125 1 327 . 1 1 47 47 LEU HB3 H 1 1.7020 0.0000 . 1 . . . . A 47 LEU HB3 . 34125 1 328 . 1 1 47 47 LEU HD11 H 1 0.9400 0.0030 . 1 . . . . A 47 LEU HD11 . 34125 1 329 . 1 1 47 47 LEU HD12 H 1 0.9400 0.0030 . 1 . . . . A 47 LEU HD12 . 34125 1 330 . 1 1 47 47 LEU HD13 H 1 0.9400 0.0030 . 1 . . . . A 47 LEU HD13 . 34125 1 331 . 1 1 47 47 LEU HD21 H 1 1.0160 0.0010 . 1 . . . . A 47 LEU HD21 . 34125 1 332 . 1 1 47 47 LEU HD22 H 1 1.0160 0.0010 . 1 . . . . A 47 LEU HD22 . 34125 1 333 . 1 1 47 47 LEU HD23 H 1 1.0160 0.0010 . 1 . . . . A 47 LEU HD23 . 34125 1 334 . 1 1 48 48 LEU H H 1 8.1200 0.0060 . 1 . . . . A 48 LEU H . 34125 1 335 . 1 1 48 48 LEU HA H 1 4.4910 0.0070 . 1 . . . . A 48 LEU HA . 34125 1 336 . 1 1 48 48 LEU HB2 H 1 1.6850 0.0030 . 1 . . . . A 48 LEU HB2 . 34125 1 337 . 1 1 48 48 LEU HB3 H 1 1.7970 0.0040 . 1 . . . . A 48 LEU HB3 . 34125 1 338 . 1 1 48 48 LEU HD11 H 1 0.9300 0.0160 . 1 . . . . A 48 LEU HD11 . 34125 1 339 . 1 1 48 48 LEU HD12 H 1 0.9300 0.0160 . 1 . . . . A 48 LEU HD12 . 34125 1 340 . 1 1 48 48 LEU HD13 H 1 0.9300 0.0160 . 1 . . . . A 48 LEU HD13 . 34125 1 341 . 1 1 48 48 LEU HD21 H 1 1.0150 0.0000 . 1 . . . . A 48 LEU HD21 . 34125 1 342 . 1 1 48 48 LEU HD22 H 1 1.0150 0.0000 . 1 . . . . A 48 LEU HD22 . 34125 1 343 . 1 1 48 48 LEU HD23 H 1 1.0150 0.0000 . 1 . . . . A 48 LEU HD23 . 34125 1 344 . 1 1 49 49 VAL H H 1 7.3980 0.0010 . 1 . . . . A 49 VAL H . 34125 1 345 . 1 1 49 49 VAL HA H 1 4.9710 0.0070 . 1 . . . . A 49 VAL HA . 34125 1 346 . 1 1 49 49 VAL HB H 1 1.9360 0.0080 . 1 . . . . A 49 VAL HB . 34125 1 347 . 1 1 49 49 VAL HG11 H 1 0.8080 0.0070 . 1 . . . . A 49 VAL HG11 . 34125 1 348 . 1 1 49 49 VAL HG12 H 1 0.8080 0.0070 . 1 . . . . A 49 VAL HG12 . 34125 1 349 . 1 1 49 49 VAL HG13 H 1 0.8080 0.0070 . 1 . . . . A 49 VAL HG13 . 34125 1 350 . 1 1 49 49 VAL HG21 H 1 0.9050 0.0030 . 1 . . . . A 49 VAL HG21 . 34125 1 351 . 1 1 49 49 VAL HG22 H 1 0.9050 0.0030 . 1 . . . . A 49 VAL HG22 . 34125 1 352 . 1 1 49 49 VAL HG23 H 1 0.9050 0.0030 . 1 . . . . A 49 VAL HG23 . 34125 1 353 . 1 1 50 50 LYS H H 1 8.5850 0.0020 . 1 . . . . A 50 LYS H . 34125 1 354 . 1 1 50 50 LYS HA H 1 4.9030 0.0060 . 1 . . . . A 50 LYS HA . 34125 1 355 . 1 1 50 50 LYS HB2 H 1 1.6120 0.0060 . 1 . . . . A 50 LYS HB2 . 34125 1 356 . 1 1 50 50 LYS HB3 H 1 1.8060 0.0080 . 1 . . . . A 50 LYS HB3 . 34125 1 357 . 1 1 50 50 LYS HG2 H 1 1.1880 0.0000 . 1 . . . . A 50 LYS HG2 . 34125 1 358 . 1 1 51 51 TYR H H 1 9.1150 0.0000 . 1 . . . . A 51 TYR H . 34125 1 359 . 1 1 51 51 TYR HA H 1 5.4940 0.0080 . 1 . . . . A 51 TYR HA . 34125 1 360 . 1 1 51 51 TYR HB2 H 1 2.9570 0.0050 . 1 . . . . A 51 TYR HB2 . 34125 1 361 . 1 1 51 51 TYR HB3 H 1 2.7870 0.0030 . 1 . . . . A 51 TYR HB3 . 34125 1 362 . 1 1 51 51 TYR HD1 H 1 6.8740 0.0050 . 3 . . . . A 51 TYR HD1 . 34125 1 363 . 1 1 51 51 TYR HD2 H 1 6.8740 0.0050 . 3 . . . . A 51 TYR HD2 . 34125 1 364 . 1 1 51 51 TYR HE1 H 1 6.4860 0.0040 . 3 . . . . A 51 TYR HE1 . 34125 1 365 . 1 1 51 51 TYR HE2 H 1 6.4860 0.0040 . 3 . . . . A 51 TYR HE2 . 34125 1 366 . 1 1 52 52 VAL H H 1 8.8930 0.0030 . 1 . . . . A 52 VAL H . 34125 1 367 . 1 1 52 52 VAL HA H 1 4.5910 0.0050 . 1 . . . . A 52 VAL HA . 34125 1 368 . 1 1 52 52 VAL HB H 1 2.1020 0.0060 . 1 . . . . A 52 VAL HB . 34125 1 369 . 1 1 52 52 VAL HG11 H 1 1.1100 0.0030 . 1 . . . . A 52 VAL HG11 . 34125 1 370 . 1 1 52 52 VAL HG12 H 1 1.1100 0.0030 . 1 . . . . A 52 VAL HG12 . 34125 1 371 . 1 1 52 52 VAL HG13 H 1 1.1100 0.0030 . 1 . . . . A 52 VAL HG13 . 34125 1 372 . 1 1 52 52 VAL HG21 H 1 1.2190 0.0040 . 1 . . . . A 52 VAL HG21 . 34125 1 373 . 1 1 52 52 VAL HG22 H 1 1.2190 0.0040 . 1 . . . . A 52 VAL HG22 . 34125 1 374 . 1 1 52 52 VAL HG23 H 1 1.2190 0.0040 . 1 . . . . A 52 VAL HG23 . 34125 1 375 . 1 1 53 53 CYS H H 1 9.3310 0.0000 . 1 . . . . A 53 CYS H . 34125 1 376 . 1 1 53 53 CYS HA H 1 5.9140 0.0030 . 1 . . . . A 53 CYS HA . 34125 1 377 . 1 1 53 53 CYS HB2 H 1 3.0860 0.0010 . 1 . . . . A 53 CYS HB2 . 34125 1 378 . 1 1 53 53 CYS HB3 H 1 3.8090 0.0020 . 1 . . . . A 53 CYS HB3 . 34125 1 379 . 1 1 54 54 CYS H H 1 9.1590 0.0000 . 1 . . . . A 54 CYS H . 34125 1 380 . 1 1 54 54 CYS HA H 1 5.1300 0.0000 . 1 . . . . A 54 CYS HA . 34125 1 381 . 1 1 54 54 CYS HB2 H 1 3.6690 0.0010 . 1 . . . . A 54 CYS HB2 . 34125 1 382 . 1 1 54 54 CYS HB3 H 1 3.4530 0.0010 . 1 . . . . A 54 CYS HB3 . 34125 1 383 . 1 1 55 55 ASN H H 1 8.5450 0.0010 . 1 . . . . A 55 ASN H . 34125 1 384 . 1 1 55 55 ASN HA H 1 5.1810 0.0050 . 1 . . . . A 55 ASN HA . 34125 1 385 . 1 1 55 55 ASN HB2 H 1 3.4100 0.0010 . 1 . . . . A 55 ASN HB2 . 34125 1 386 . 1 1 55 55 ASN HB3 H 1 2.6680 0.0030 . 1 . . . . A 55 ASN HB3 . 34125 1 387 . 1 1 55 55 ASN HD21 H 1 7.4560 0.0040 . 1 . . . . A 55 ASN HD21 . 34125 1 388 . 1 1 55 55 ASN HD22 H 1 6.6960 0.0060 . 1 . . . . A 55 ASN HD22 . 34125 1 389 . 1 1 56 56 THR H H 1 7.5720 0.0010 . 1 . . . . A 56 THR H . 34125 1 390 . 1 1 56 56 THR HA H 1 4.7210 0.0020 . 1 . . . . A 56 THR HA . 34125 1 391 . 1 1 56 56 THR HB H 1 4.3050 0.0070 . 1 . . . . A 56 THR HB . 34125 1 392 . 1 1 56 56 THR HG21 H 1 1.2260 0.0010 . 1 . . . . A 56 THR HG21 . 34125 1 393 . 1 1 56 56 THR HG22 H 1 1.2260 0.0010 . 1 . . . . A 56 THR HG22 . 34125 1 394 . 1 1 56 56 THR HG23 H 1 1.2260 0.0010 . 1 . . . . A 56 THR HG23 . 34125 1 395 . 1 1 57 57 ASP H H 1 8.1240 0.0090 . 1 . . . . A 57 ASP H . 34125 1 396 . 1 1 57 57 ASP HA H 1 4.8150 0.0040 . 1 . . . . A 57 ASP HA . 34125 1 397 . 1 1 57 57 ASP HB2 H 1 2.5140 0.0010 . 1 . . . . A 57 ASP HB2 . 34125 1 398 . 1 1 57 57 ASP HB3 H 1 2.2720 0.0030 . 1 . . . . A 57 ASP HB3 . 34125 1 399 . 1 1 58 58 ARG H H 1 9.5980 0.0050 . 1 . . . . A 58 ARG H . 34125 1 400 . 1 1 58 58 ARG HA H 1 3.4010 0.0040 . 1 . . . . A 58 ARG HA . 34125 1 401 . 1 1 58 58 ARG HB2 H 1 1.7880 0.0010 . 1 . . . . A 58 ARG HB2 . 34125 1 402 . 1 1 58 58 ARG HB3 H 1 2.1790 0.0000 . 1 . . . . A 58 ARG HB3 . 34125 1 403 . 1 1 58 58 ARG HG2 H 1 1.3720 0.0030 . 2 . . . . A 58 ARG HG2 . 34125 1 404 . 1 1 58 58 ARG HG3 H 1 1.3720 0.0030 . 2 . . . . A 58 ARG HG3 . 34125 1 405 . 1 1 59 59 CYS H H 1 7.6260 0.0020 . 1 . . . . A 59 CYS H . 34125 1 406 . 1 1 59 59 CYS HA H 1 4.4700 0.0040 . 1 . . . . A 59 CYS HA . 34125 1 407 . 1 1 59 59 CYS HB2 H 1 3.4000 0.0040 . 1 . . . . A 59 CYS HB2 . 34125 1 408 . 1 1 59 59 CYS HB3 H 1 3.6870 0.0030 . 1 . . . . A 59 CYS HB3 . 34125 1 409 . 1 1 60 60 ASN H H 1 8.9430 0.0040 . 1 . . . . A 60 ASN H . 34125 1 410 . 1 1 60 60 ASN HA H 1 4.3720 0.0050 . 1 . . . . A 60 ASN HA . 34125 1 411 . 1 1 60 60 ASN HB2 H 1 2.6810 0.0030 . 1 . . . . A 60 ASN HB2 . 34125 1 412 . 1 1 60 60 ASN HB3 H 1 2.2760 0.0030 . 1 . . . . A 60 ASN HB3 . 34125 1 413 . 1 1 60 60 ASN HD21 H 1 7.3300 0.0000 . 2 . . . . A 60 ASN HD21 . 34125 1 414 . 1 1 60 60 ASN HD22 H 1 7.3300 0.0000 . 2 . . . . A 60 ASN HD22 . 34125 1 stop_ save_