data_15161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15161 _Entry.Title ; The MYND domain from human AML1-ETO ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-06 _Entry.Accession_date 2007-03-06 _Entry.Last_release_date 2007-10-24 _Entry.Original_release_date 2007-10-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yizhou Liu . . . 15161 2 Wei Chen . . . 15161 3 Justin Gaudet . . . 15161 4 Matthew Cheney . . . 15161 5 Liya Roudaia . . . 15161 6 Tomasz Cierpicki . . . 15161 7 Rachel Klet . . . 15161 8 Kari Hartman . . . 15161 9 Thomas Laue . . . 15161 10 Nancy Speck . . . 15161 11 John Bushweller . . . 15161 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Dartmouth Medical School' . 15161 1 . 'University of Virginia' . 15161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 202 15161 '15N chemical shifts' 59 15161 '1H chemical shifts' 269 15161 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 . . 2007-10-24 2007-03-06 original author . 15161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OD1 'Solution structure of the MYND domain from human AML1-ETO' 15161 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17560331 _Citation.Full_citation . _Citation.Title ; Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cancer Cell' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 6 _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 483 _Citation.Page_last 497 _Citation.Year 2007 _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 Yizhou Liu . . . 15161 1 2 Wei Chen . . . 15161 1 3 Justin Gaudet . . . 15161 1 4 Matthew Cheney . . . 15161 1 5 Liya Roudaia . . . 15161 1 6 Tomasz Cierpicki . . . 15161 1 7 Rachel Klet . . . 15161 1 8 Kari Hartman . . . 15161 1 9 Thomas Laue . . . 15161 1 10 Nancy Speck . . . 15161 1 11 John Bushweller . . . 15161 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acute myeloid leukemia' 15161 1 AML1-ETO 15161 1 MYND 15161 1 'zinc finger protein' 15161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15161 _Assembly.ID 1 _Assembly.Name 'ETO MYND' _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 'ETO MYND' 1 $ETO_MYND A . yes native no no . . . 15161 1 2 'ZINC ION, 1' 2 $ZN B . no native no no . . . 15161 1 3 'ZINC ION, 2' 2 $ZN B . no native no no . . . 15161 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 'ETO MYND' 1 CYS 6 6 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 2 coordination single . 1 'ETO MYND' 1 CYS 9 9 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 3 coordination single . 1 'ETO MYND' 1 CYS 26 26 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 4 coordination single . 1 'ETO MYND' 1 CYS 30 30 SG . 2 'ZINC ION, 1' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 5 coordination single . 1 'ETO MYND' 1 CYS 17 17 SG . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 6 coordination single . 1 'ETO MYND' 1 CYS 20 20 SG . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 7 coordination single . 1 'ETO MYND' 1 CYS 42 42 SG . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 8 coordination single . 1 'ETO MYND' 1 HIS 38 38 NE2 . 3 'ZINC ION, 2' 2 ZN 1 1 ZN . . . . . . . . . . 15161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ETO_MYND _Entity.Sf_category entity _Entity.Sf_framecode ETO_MYND _Entity.Entry_ID 15161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ETO_MYND _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 ; DSSESCWNCGRKASETCSGC NTARYCGSFCQHKDWEKHHH ICGQTLQAQQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15173 . SMRT-MYND . . . . . 100.00 70 100.00 100.00 1.09e-27 . . . . 15161 1 2 no PDB 2DJ8 . "Solution Structure Of Zf-Mynd Domain Of Protein Cbfa2ti (Protein Mtg8)" . . . . . 84.00 60 100.00 100.00 1.31e-21 . . . . 15161 1 3 no PDB 2OD1 . "Solution Structure Of The Mynd Domain From Human Aml1-Eto" . . . . . 100.00 60 100.00 100.00 2.63e-27 . . . . 15161 1 4 no PDB 2ODD . "Solution Structure Of The Mynd Domain From Aml1-Eto Complexed With Smrt, A Corepressor" . . . . . 100.00 64 100.00 100.00 3.33e-27 . . . . 15161 1 5 no DBJ BAA03089 . "AML1-MTG8 fusion protein [Homo sapiens]" . . . . . 100.00 752 100.00 100.00 1.58e-29 . . . . 15161 1 6 no DBJ BAA03247 . "MTG8 protein [Homo sapiens]" . . . . . 100.00 567 100.00 100.00 6.34e-28 . . . . 15161 1 7 no DBJ BAA03558 . "MTG8b protein [Homo sapiens]" . . . . . 100.00 604 100.00 100.00 1.28e-27 . . . . 15161 1 8 no DBJ BAA06774 . "Cbfa2t1h [Mus musculus]" . . . . . 100.00 577 98.00 98.00 3.30e-27 . . . . 15161 1 9 no DBJ BAA07755 . "MTG8a protein [Homo sapiens]" . . . . . 100.00 577 100.00 100.00 6.70e-28 . . . . 15161 1 10 no EMBL CAA56311 . "ETO [Homo sapiens]" . . . . . 100.00 574 100.00 100.00 6.81e-28 . . . . 15161 1 11 no EMBL CAF99400 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 100.00 599 98.00 100.00 9.89e-28 . . . . 15161 1 12 no EMBL CAG33073 . "CBFA2T1 [Homo sapiens]" . . . . . 100.00 577 100.00 100.00 6.70e-28 . . . . 15161 1 13 no GB AAB34819 . "AMLI-ETO fusion protein, partial [Homo sapiens]" . . . . . 100.00 588 100.00 100.00 6.95e-28 . . . . 15161 1 14 no GB AAC28931 . "putative transcription factor [Homo sapiens]" . . . . . 100.00 577 100.00 100.00 6.70e-28 . . . . 15161 1 15 no GB AAC28932 . "putative transcription factor [Homo sapiens]" . . . . . 100.00 604 100.00 100.00 1.28e-27 . . . . 15161 1 16 no GB AAF72198 . "MTG8/ETOa [Gallus gallus]" . . . . . 100.00 577 98.00 100.00 1.51e-27 . . . . 15161 1 17 no GB AAF72199 . "MTG8/ETOb [Gallus gallus]" . . . . . 100.00 604 98.00 100.00 2.63e-27 . . . . 15161 1 18 no REF NP_001070244 . "protein CBFA2T1 [Danio rerio]" . . . . . 100.00 588 98.00 100.00 9.51e-28 . . . . 15161 1 19 no REF NP_001089065 . "runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Xenopus laevis]" . . . . . 100.00 582 98.00 100.00 2.31e-27 . . . . 15161 1 20 no REF NP_001102127 . "protein CBFA2T1 [Rattus norvegicus]" . . . . . 100.00 577 98.00 98.00 3.37e-27 . . . . 15161 1 21 no REF NP_001104496 . "protein CBFA2T1 isoform 2 [Mus musculus]" . . . . . 100.00 584 98.00 98.00 3.27e-27 . . . . 15161 1 22 no REF NP_001104497 . "protein CBFA2T1 isoform 1 [Mus musculus]" . . . . . 100.00 604 98.00 98.00 5.48e-27 . . . . 15161 1 23 no SP Q06455 . "RecName: Full=Protein CBFA2T1; AltName: Full=Cyclin-D-related protein; AltName: Full=Eight twenty one protein; AltName: Full=Pr" . . . . . 100.00 604 100.00 100.00 1.28e-27 . . . . 15161 1 24 no SP Q61909 . "RecName: Full=Protein CBFA2T1; AltName: Full=Protein MTG8" . . . . . 100.00 577 98.00 98.00 3.30e-27 . . . . 15161 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 1 658 ASP . 15161 1 2 659 SER . 15161 1 3 660 SER . 15161 1 4 661 GLU . 15161 1 5 662 SER . 15161 1 6 663 CYS . 15161 1 7 664 TRP . 15161 1 8 665 ASN . 15161 1 9 666 CYS . 15161 1 10 667 GLY . 15161 1 11 668 ARG . 15161 1 12 669 LYS . 15161 1 13 670 ALA . 15161 1 14 671 SER . 15161 1 15 672 GLU . 15161 1 16 673 THR . 15161 1 17 674 CYS . 15161 1 18 675 SER . 15161 1 19 676 GLY . 15161 1 20 677 CYS . 15161 1 21 678 ASN . 15161 1 22 679 THR . 15161 1 23 680 ALA . 15161 1 24 681 ARG . 15161 1 25 682 TYR . 15161 1 26 683 CYS . 15161 1 27 684 GLY . 15161 1 28 685 SER . 15161 1 29 686 PHE . 15161 1 30 687 CYS . 15161 1 31 688 GLN . 15161 1 32 689 HIS . 15161 1 33 690 LYS . 15161 1 34 691 ASP . 15161 1 35 692 TRP . 15161 1 36 693 GLU . 15161 1 37 694 LYS . 15161 1 38 695 HIS . 15161 1 39 696 HIS . 15161 1 40 697 HIS . 15161 1 41 698 ILE . 15161 1 42 699 CYS . 15161 1 43 700 GLY . 15161 1 44 701 GLN . 15161 1 45 702 THR . 15161 1 46 703 LEU . 15161 1 47 704 GLN . 15161 1 48 705 ALA . 15161 1 49 706 GLN . 15161 1 50 707 GLN . 15161 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 . ASP 1 1 15161 1 . SER 2 2 15161 1 . SER 3 3 15161 1 . GLU 4 4 15161 1 . SER 5 5 15161 1 . CYS 6 6 15161 1 . TRP 7 7 15161 1 . ASN 8 8 15161 1 . CYS 9 9 15161 1 . GLY 10 10 15161 1 . ARG 11 11 15161 1 . LYS 12 12 15161 1 . ALA 13 13 15161 1 . SER 14 14 15161 1 . GLU 15 15 15161 1 . THR 16 16 15161 1 . CYS 17 17 15161 1 . SER 18 18 15161 1 . GLY 19 19 15161 1 . CYS 20 20 15161 1 . ASN 21 21 15161 1 . THR 22 22 15161 1 . ALA 23 23 15161 1 . ARG 24 24 15161 1 . TYR 25 25 15161 1 . CYS 26 26 15161 1 . GLY 27 27 15161 1 . SER 28 28 15161 1 . PHE 29 29 15161 1 . CYS 30 30 15161 1 . GLN 31 31 15161 1 . HIS 32 32 15161 1 . LYS 33 33 15161 1 . ASP 34 34 15161 1 . TRP 35 35 15161 1 . GLU 36 36 15161 1 . LYS 37 37 15161 1 . HIS 38 38 15161 1 . HIS 39 39 15161 1 . HIS 40 40 15161 1 . ILE 41 41 15161 1 . CYS 42 42 15161 1 . GLY 43 43 15161 1 . GLN 44 44 15161 1 . THR 45 45 15161 1 . LEU 46 46 15161 1 . GLN 47 47 15161 1 . ALA 48 48 15161 1 . GLN 49 49 15161 1 . GLN 50 50 15161 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15161 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _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 . 15161 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 15161 _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 $ETO_MYND . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15161 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 15161 _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 $ETO_MYND . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pGEX4T3 . . . . . . 15161 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 15161 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Wed Dec 20 05:48:03 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15161 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15161 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15161 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15161 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15161 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 . . . . . . . . . . . . . . . 15161 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15161 _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 'ETO MYND' '[U-99% 13C; U-99% 15N]' . . 1 $ETO_MYND . . 1 . . mM . . . . 15161 1 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 1 . . mM . . . . 15161 1 3 Bis-Tris 'natural abundance' . . . . . . 25 . . mM . . . . 15161 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15161 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15161 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15161 1 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 15161 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 25mM Bis-Tris, 100mM NaCl, 5mM DTT, 5% D2O ; 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' 0.1 . M 15161 1 pH 6 . pH 15161 1 pressure 1 . atm 15161 1 temperature 310 . K 15161 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15161 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15161 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15161 _NMR_spectrometer.ID 1 _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 15161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 15161 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 15161 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15161 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15161 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15161 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15161 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15161 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15161 _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 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 15161 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15161 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132918 . . . . . . . . . 15161 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15161 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15161 1 2 '3D CBCA(CO)NH' . . . 15161 1 3 '3D HNCACB' . . . 15161 1 4 '3D HNCO' . . . 15161 1 5 '3D HCCH-TOCSY' . . . 15161 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP H H 1 8.372 0.006 . 1 . . . . 658 ASP H . 15161 1 2 . 1 1 1 1 ASP HA H 1 4.719 0.023 . 1 . . . . 658 ASP HA . 15161 1 3 . 1 1 1 1 ASP HB2 H 1 2.762 0.014 . 2 . . . . 658 ASP HB2 . 15161 1 4 . 1 1 1 1 ASP C C 13 176.598 0.000 . 1 . . . . 658 ASP C . 15161 1 5 . 1 1 1 1 ASP CA C 13 54.738 0.231 . 1 . . . . 658 ASP CA . 15161 1 6 . 1 1 1 1 ASP CB C 13 41.471 0.168 . 1 . . . . 658 ASP CB . 15161 1 7 . 1 1 1 1 ASP N N 15 122.398 0.060 . 1 . . . . 658 ASP N . 15161 1 8 . 1 1 2 2 SER H H 1 8.278 0.012 . 1 . . . . 659 SER H . 15161 1 9 . 1 1 2 2 SER HA H 1 4.556 0.010 . 1 . . . . 659 SER HA . 15161 1 10 . 1 1 2 2 SER HB2 H 1 3.945 0.013 . 2 . . . . 659 SER HB2 . 15161 1 11 . 1 1 2 2 SER HB3 H 1 4.002 0.000 . 2 . . . . 659 SER HB3 . 15161 1 12 . 1 1 2 2 SER C C 13 175.339 0.000 . 1 . . . . 659 SER C . 15161 1 13 . 1 1 2 2 SER CA C 13 58.846 0.137 . 1 . . . . 659 SER CA . 15161 1 14 . 1 1 2 2 SER CB C 13 64.026 0.155 . 1 . . . . 659 SER CB . 15161 1 15 . 1 1 2 2 SER N N 15 116.385 0.058 . 1 . . . . 659 SER N . 15161 1 16 . 1 1 3 3 SER H H 1 8.445 0.018 . 1 . . . . 660 SER H . 15161 1 17 . 1 1 3 3 SER HA H 1 4.568 0.009 . 1 . . . . 660 SER HA . 15161 1 18 . 1 1 3 3 SER HB2 H 1 4.001 0.010 . 2 . . . . 660 SER HB2 . 15161 1 19 . 1 1 3 3 SER C C 13 175.038 0.000 . 1 . . . . 660 SER C . 15161 1 20 . 1 1 3 3 SER CA C 13 59.389 0.252 . 1 . . . . 660 SER CA . 15161 1 21 . 1 1 3 3 SER CB C 13 64.109 0.230 . 1 . . . . 660 SER CB . 15161 1 22 . 1 1 3 3 SER N N 15 118.020 0.098 . 1 . . . . 660 SER N . 15161 1 23 . 1 1 4 4 GLU H H 1 8.323 0.005 . 1 . . . . 661 GLU H . 15161 1 24 . 1 1 4 4 GLU HA H 1 4.480 0.024 . 1 . . . . 661 GLU HA . 15161 1 25 . 1 1 4 4 GLU HB2 H 1 2.006 0.019 . 2 . . . . 661 GLU HB2 . 15161 1 26 . 1 1 4 4 GLU HB3 H 1 2.186 0.019 . 2 . . . . 661 GLU HB3 . 15161 1 27 . 1 1 4 4 GLU HG2 H 1 2.346 0.008 . 2 . . . . 661 GLU HG2 . 15161 1 28 . 1 1 4 4 GLU C C 13 176.093 0.000 . 1 . . . . 661 GLU C . 15161 1 29 . 1 1 4 4 GLU CA C 13 56.453 0.198 . 1 . . . . 661 GLU CA . 15161 1 30 . 1 1 4 4 GLU CB C 13 30.787 0.263 . 1 . . . . 661 GLU CB . 15161 1 31 . 1 1 4 4 GLU CG C 13 36.487 0.142 . 1 . . . . 661 GLU CG . 15161 1 32 . 1 1 4 4 GLU N N 15 121.038 0.164 . 1 . . . . 661 GLU N . 15161 1 33 . 1 1 5 5 SER H H 1 7.859 0.009 . 1 . . . . 662 SER H . 15161 1 34 . 1 1 5 5 SER HA H 1 4.615 0.008 . 1 . . . . 662 SER HA . 15161 1 35 . 1 1 5 5 SER HB2 H 1 3.703 0.013 . 2 . . . . 662 SER HB2 . 15161 1 36 . 1 1 5 5 SER C C 13 172.868 0.000 . 1 . . . . 662 SER C . 15161 1 37 . 1 1 5 5 SER CA C 13 58.092 0.246 . 1 . . . . 662 SER CA . 15161 1 38 . 1 1 5 5 SER CB C 13 65.228 0.188 . 1 . . . . 662 SER CB . 15161 1 39 . 1 1 5 5 SER N N 15 116.012 0.067 . 1 . . . . 662 SER N . 15161 1 40 . 1 1 6 6 CYS H H 1 9.565 0.013 . 1 . . . . 663 CYS H . 15161 1 41 . 1 1 6 6 CYS HA H 1 4.107 0.007 . 1 . . . . 663 CYS HA . 15161 1 42 . 1 1 6 6 CYS HB2 H 1 2.944 0.012 . 2 . . . . 663 CYS HB2 . 15161 1 43 . 1 1 6 6 CYS HB3 H 1 3.524 0.008 . 2 . . . . 663 CYS HB3 . 15161 1 44 . 1 1 6 6 CYS C C 13 178.171 0.000 . 1 . . . . 663 CYS C . 15161 1 45 . 1 1 6 6 CYS CA C 13 59.493 0.157 . 1 . . . . 663 CYS CA . 15161 1 46 . 1 1 6 6 CYS CB C 13 30.861 0.148 . 1 . . . . 663 CYS CB . 15161 1 47 . 1 1 6 6 CYS N N 15 123.233 0.087 . 1 . . . . 663 CYS N . 15161 1 48 . 1 1 7 7 TRP H H 1 9.816 0.009 . 1 . . . . 664 TRP H . 15161 1 49 . 1 1 7 7 TRP HA H 1 4.493 0.008 . 1 . . . . 664 TRP HA . 15161 1 50 . 1 1 7 7 TRP HB2 H 1 2.905 0.013 . 2 . . . . 664 TRP HB2 . 15161 1 51 . 1 1 7 7 TRP HB3 H 1 3.548 0.009 . 2 . . . . 664 TRP HB3 . 15161 1 52 . 1 1 7 7 TRP HD1 H 1 7.841 0.011 . 1 . . . . 664 TRP HD1 . 15161 1 53 . 1 1 7 7 TRP HE1 H 1 10.479 0.033 . 1 . . . . 664 TRP HE1 . 15161 1 54 . 1 1 7 7 TRP HE3 H 1 7.944 0.006 . 1 . . . . 664 TRP HE3 . 15161 1 55 . 1 1 7 7 TRP HZ2 H 1 7.466 0.009 . 1 . . . . 664 TRP HZ2 . 15161 1 56 . 1 1 7 7 TRP HZ3 H 1 7.331 0.016 . 1 . . . . 664 TRP HZ3 . 15161 1 57 . 1 1 7 7 TRP HH2 H 1 7.332 0.008 . 1 . . . . 664 TRP HH2 . 15161 1 58 . 1 1 7 7 TRP C C 13 176.097 0.000 . 1 . . . . 664 TRP C . 15161 1 59 . 1 1 7 7 TRP CA C 13 60.325 0.241 . 1 . . . . 664 TRP CA . 15161 1 60 . 1 1 7 7 TRP CB C 13 28.648 0.152 . 1 . . . . 664 TRP CB . 15161 1 61 . 1 1 7 7 TRP CD1 C 13 125.835 0.082 . 1 . . . . 664 TRP CD1 . 15161 1 62 . 1 1 7 7 TRP CE3 C 13 122.195 0.061 . 1 . . . . 664 TRP CE3 . 15161 1 63 . 1 1 7 7 TRP CZ2 C 13 115.118 0.050 . 1 . . . . 664 TRP CZ2 . 15161 1 64 . 1 1 7 7 TRP CZ3 C 13 122.209 0.101 . 1 . . . . 664 TRP CZ3 . 15161 1 65 . 1 1 7 7 TRP CH2 C 13 125.269 0.087 . 1 . . . . 664 TRP CH2 . 15161 1 66 . 1 1 7 7 TRP N N 15 133.155 0.056 . 1 . . . . 664 TRP N . 15161 1 67 . 1 1 7 7 TRP NE1 N 15 129.132 0.010 . 1 . . . . 664 TRP NE1 . 15161 1 68 . 1 1 8 8 ASN H H 1 9.541 0.014 . 1 . . . . 665 ASN H . 15161 1 69 . 1 1 8 8 ASN HA H 1 5.329 0.012 . 1 . . . . 665 ASN HA . 15161 1 70 . 1 1 8 8 ASN HB2 H 1 2.655 0.011 . 2 . . . . 665 ASN HB2 . 15161 1 71 . 1 1 8 8 ASN HB3 H 1 3.683 0.011 . 2 . . . . 665 ASN HB3 . 15161 1 72 . 1 1 8 8 ASN HD21 H 1 9.197 0.017 . 2 . . . . 665 ASN HD21 . 15161 1 73 . 1 1 8 8 ASN HD22 H 1 7.006 0.009 . 2 . . . . 665 ASN HD22 . 15161 1 74 . 1 1 8 8 ASN C C 13 175.369 0.000 . 1 . . . . 665 ASN C . 15161 1 75 . 1 1 8 8 ASN CA C 13 56.495 0.182 . 1 . . . . 665 ASN CA . 15161 1 76 . 1 1 8 8 ASN CB C 13 41.786 0.150 . 1 . . . . 665 ASN CB . 15161 1 77 . 1 1 8 8 ASN N N 15 118.529 0.074 . 1 . . . . 665 ASN N . 15161 1 78 . 1 1 8 8 ASN ND2 N 15 118.964 0.023 . 1 . . . . 665 ASN ND2 . 15161 1 79 . 1 1 9 9 CYS H H 1 8.429 0.011 . 1 . . . . 666 CYS H . 15161 1 80 . 1 1 9 9 CYS HA H 1 5.221 0.012 . 1 . . . . 666 CYS HA . 15161 1 81 . 1 1 9 9 CYS HB2 H 1 2.861 0.014 . 2 . . . . 666 CYS HB2 . 15161 1 82 . 1 1 9 9 CYS HB3 H 1 3.444 0.009 . 2 . . . . 666 CYS HB3 . 15161 1 83 . 1 1 9 9 CYS C C 13 176.829 0.000 . 1 . . . . 666 CYS C . 15161 1 84 . 1 1 9 9 CYS CA C 13 59.667 0.169 . 1 . . . . 666 CYS CA . 15161 1 85 . 1 1 9 9 CYS CB C 13 34.436 0.125 . 1 . . . . 666 CYS CB . 15161 1 86 . 1 1 9 9 CYS N N 15 116.785 0.162 . 1 . . . . 666 CYS N . 15161 1 87 . 1 1 10 10 GLY H H 1 8.280 0.013 . 1 . . . . 667 GLY H . 15161 1 88 . 1 1 10 10 GLY HA2 H 1 3.845 0.026 . 2 . . . . 667 GLY HA2 . 15161 1 89 . 1 1 10 10 GLY HA3 H 1 4.216 0.059 . 2 . . . . 667 GLY HA3 . 15161 1 90 . 1 1 10 10 GLY C C 13 174.112 0.000 . 1 . . . . 667 GLY C . 15161 1 91 . 1 1 10 10 GLY CA C 13 46.668 0.129 . 1 . . . . 667 GLY CA . 15161 1 92 . 1 1 10 10 GLY N N 15 112.778 0.070 . 1 . . . . 667 GLY N . 15161 1 93 . 1 1 11 11 ARG H H 1 8.599 0.026 . 1 . . . . 668 ARG H . 15161 1 94 . 1 1 11 11 ARG HA H 1 4.484 0.014 . 1 . . . . 668 ARG HA . 15161 1 95 . 1 1 11 11 ARG HB2 H 1 1.911 0.006 . 2 . . . . 668 ARG HB2 . 15161 1 96 . 1 1 11 11 ARG HB3 H 1 2.055 0.005 . 2 . . . . 668 ARG HB3 . 15161 1 97 . 1 1 11 11 ARG HG2 H 1 1.803 0.017 . 2 . . . . 668 ARG HG2 . 15161 1 98 . 1 1 11 11 ARG HG3 H 1 2.069 0.010 . 2 . . . . 668 ARG HG3 . 15161 1 99 . 1 1 11 11 ARG HD2 H 1 3.373 0.015 . 2 . . . . 668 ARG HD2 . 15161 1 100 . 1 1 11 11 ARG C C 13 175.377 0.000 . 1 . . . . 668 ARG C . 15161 1 101 . 1 1 11 11 ARG CA C 13 56.962 0.267 . 1 . . . . 668 ARG CA . 15161 1 102 . 1 1 11 11 ARG CB C 13 31.333 0.208 . 1 . . . . 668 ARG CB . 15161 1 103 . 1 1 11 11 ARG CG C 13 28.986 0.129 . 1 . . . . 668 ARG CG . 15161 1 104 . 1 1 11 11 ARG CD C 13 43.837 0.215 . 1 . . . . 668 ARG CD . 15161 1 105 . 1 1 11 11 ARG N N 15 122.941 0.116 . 1 . . . . 668 ARG N . 15161 1 106 . 1 1 12 12 LYS H H 1 8.299 0.010 . 1 . . . . 669 LYS H . 15161 1 107 . 1 1 12 12 LYS HA H 1 4.148 0.006 . 1 . . . . 669 LYS HA . 15161 1 108 . 1 1 12 12 LYS HB2 H 1 1.799 0.008 . 2 . . . . 669 LYS HB2 . 15161 1 109 . 1 1 12 12 LYS HB3 H 1 1.873 0.017 . 2 . . . . 669 LYS HB3 . 15161 1 110 . 1 1 12 12 LYS HG2 H 1 1.528 0.012 . 2 . . . . 669 LYS HG2 . 15161 1 111 . 1 1 12 12 LYS HD2 H 1 1.776 0.005 . 2 . . . . 669 LYS HD2 . 15161 1 112 . 1 1 12 12 LYS HE2 H 1 3.103 0.016 . 2 . . . . 669 LYS HE2 . 15161 1 113 . 1 1 12 12 LYS C C 13 176.552 0.000 . 1 . . . . 669 LYS C . 15161 1 114 . 1 1 12 12 LYS CA C 13 58.716 0.180 . 1 . . . . 669 LYS CA . 15161 1 115 . 1 1 12 12 LYS CB C 13 32.559 0.143 . 1 . . . . 669 LYS CB . 15161 1 116 . 1 1 12 12 LYS CG C 13 24.899 0.255 . 1 . . . . 669 LYS CG . 15161 1 117 . 1 1 12 12 LYS CD C 13 29.434 0.182 . 1 . . . . 669 LYS CD . 15161 1 118 . 1 1 12 12 LYS CE C 13 42.627 0.108 . 1 . . . . 669 LYS CE . 15161 1 119 . 1 1 12 12 LYS N N 15 121.177 0.079 . 1 . . . . 669 LYS N . 15161 1 120 . 1 1 13 13 ALA H H 1 8.397 0.010 . 1 . . . . 670 ALA H . 15161 1 121 . 1 1 13 13 ALA HA H 1 4.164 0.014 . 1 . . . . 670 ALA HA . 15161 1 122 . 1 1 13 13 ALA HB1 H 1 1.124 0.008 . 1 . . . . 670 ALA HB . 15161 1 123 . 1 1 13 13 ALA HB2 H 1 1.124 0.008 . 1 . . . . 670 ALA HB . 15161 1 124 . 1 1 13 13 ALA HB3 H 1 1.124 0.008 . 1 . . . . 670 ALA HB . 15161 1 125 . 1 1 13 13 ALA C C 13 176.542 0.000 . 1 . . . . 670 ALA C . 15161 1 126 . 1 1 13 13 ALA CA C 13 52.063 0.147 . 1 . . . . 670 ALA CA . 15161 1 127 . 1 1 13 13 ALA CB C 13 21.436 0.154 . 1 . . . . 670 ALA CB . 15161 1 128 . 1 1 13 13 ALA N N 15 126.268 0.087 . 1 . . . . 670 ALA N . 15161 1 129 . 1 1 14 14 SER H H 1 8.333 0.011 . 1 . . . . 671 SER H . 15161 1 130 . 1 1 14 14 SER HA H 1 4.673 0.011 . 1 . . . . 671 SER HA . 15161 1 131 . 1 1 14 14 SER HB2 H 1 3.864 0.008 . 2 . . . . 671 SER HB2 . 15161 1 132 . 1 1 14 14 SER HB3 H 1 4.010 0.006 . 2 . . . . 671 SER HB3 . 15161 1 133 . 1 1 14 14 SER C C 13 173.494 0.000 . 1 . . . . 671 SER C . 15161 1 134 . 1 1 14 14 SER CA C 13 58.799 0.228 . 1 . . . . 671 SER CA . 15161 1 135 . 1 1 14 14 SER CB C 13 65.559 0.226 . 1 . . . . 671 SER CB . 15161 1 136 . 1 1 14 14 SER N N 15 112.750 0.058 . 1 . . . . 671 SER N . 15161 1 137 . 1 1 15 15 GLU H H 1 8.285 0.007 . 1 . . . . 672 GLU H . 15161 1 138 . 1 1 15 15 GLU HA H 1 4.855 0.008 . 1 . . . . 672 GLU HA . 15161 1 139 . 1 1 15 15 GLU HB2 H 1 1.886 0.010 . 2 . . . . 672 GLU HB2 . 15161 1 140 . 1 1 15 15 GLU HB3 H 1 2.166 0.015 . 2 . . . . 672 GLU HB3 . 15161 1 141 . 1 1 15 15 GLU HG2 H 1 2.206 0.013 . 2 . . . . 672 GLU HG2 . 15161 1 142 . 1 1 15 15 GLU C C 13 175.908 0.000 . 1 . . . . 672 GLU C . 15161 1 143 . 1 1 15 15 GLU CA C 13 55.234 0.235 . 1 . . . . 672 GLU CA . 15161 1 144 . 1 1 15 15 GLU CB C 13 32.455 0.165 . 1 . . . . 672 GLU CB . 15161 1 145 . 1 1 15 15 GLU CG C 13 35.501 0.159 . 1 . . . . 672 GLU CG . 15161 1 146 . 1 1 15 15 GLU N N 15 121.138 0.061 . 1 . . . . 672 GLU N . 15161 1 147 . 1 1 16 16 THR H H 1 8.664 0.011 . 1 . . . . 673 THR H . 15161 1 148 . 1 1 16 16 THR HA H 1 4.917 0.009 . 1 . . . . 673 THR HA . 15161 1 149 . 1 1 16 16 THR HB H 1 3.821 0.011 . 1 . . . . 673 THR HB . 15161 1 150 . 1 1 16 16 THR HG21 H 1 1.014 0.008 . 1 . . . . 673 THR HG2 . 15161 1 151 . 1 1 16 16 THR HG22 H 1 1.014 0.008 . 1 . . . . 673 THR HG2 . 15161 1 152 . 1 1 16 16 THR HG23 H 1 1.014 0.008 . 1 . . . . 673 THR HG2 . 15161 1 153 . 1 1 16 16 THR C C 13 174.242 0.000 . 1 . . . . 673 THR C . 15161 1 154 . 1 1 16 16 THR CA C 13 60.711 0.225 . 1 . . . . 673 THR CA . 15161 1 155 . 1 1 16 16 THR CB C 13 71.130 0.231 . 1 . . . . 673 THR CB . 15161 1 156 . 1 1 16 16 THR CG2 C 13 21.563 0.207 . 1 . . . . 673 THR CG2 . 15161 1 157 . 1 1 16 16 THR N N 15 117.740 0.074 . 1 . . . . 673 THR N . 15161 1 158 . 1 1 17 17 CYS H H 1 8.466 0.011 . 1 . . . . 674 CYS H . 15161 1 159 . 1 1 17 17 CYS HA H 1 4.270 0.014 . 1 . . . . 674 CYS HA . 15161 1 160 . 1 1 17 17 CYS HB2 H 1 2.757 0.008 . 2 . . . . 674 CYS HB2 . 15161 1 161 . 1 1 17 17 CYS HB3 H 1 3.292 0.005 . 2 . . . . 674 CYS HB3 . 15161 1 162 . 1 1 17 17 CYS C C 13 176.967 0.000 . 1 . . . . 674 CYS C . 15161 1 163 . 1 1 17 17 CYS CA C 13 60.298 0.178 . 1 . . . . 674 CYS CA . 15161 1 164 . 1 1 17 17 CYS CB C 13 31.947 0.160 . 1 . . . . 674 CYS CB . 15161 1 165 . 1 1 17 17 CYS N N 15 127.995 0.060 . 1 . . . . 674 CYS N . 15161 1 166 . 1 1 18 18 SER H H 1 9.113 0.012 . 1 . . . . 675 SER H . 15161 1 167 . 1 1 18 18 SER HA H 1 4.398 0.009 . 1 . . . . 675 SER HA . 15161 1 168 . 1 1 18 18 SER HB2 H 1 4.050 0.007 . 2 . . . . 675 SER HB2 . 15161 1 169 . 1 1 18 18 SER HB3 H 1 4.105 0.013 . 2 . . . . 675 SER HB3 . 15161 1 170 . 1 1 18 18 SER C C 13 175.432 0.000 . 1 . . . . 675 SER C . 15161 1 171 . 1 1 18 18 SER CA C 13 60.349 0.228 . 1 . . . . 675 SER CA . 15161 1 172 . 1 1 18 18 SER CB C 13 63.464 0.216 . 1 . . . . 675 SER CB . 15161 1 173 . 1 1 18 18 SER N N 15 126.809 0.071 . 1 . . . . 675 SER N . 15161 1 174 . 1 1 19 19 GLY H H 1 9.314 0.010 . 1 . . . . 676 GLY H . 15161 1 175 . 1 1 19 19 GLY HA2 H 1 3.862 0.010 . 2 . . . . 676 GLY HA2 . 15161 1 176 . 1 1 19 19 GLY HA3 H 1 4.072 0.009 . 2 . . . . 676 GLY HA3 . 15161 1 177 . 1 1 19 19 GLY C C 13 174.545 0.000 . 1 . . . . 676 GLY C . 15161 1 178 . 1 1 19 19 GLY CA C 13 46.862 0.212 . 1 . . . . 676 GLY CA . 15161 1 179 . 1 1 19 19 GLY N N 15 114.709 0.072 . 1 . . . . 676 GLY N . 15161 1 180 . 1 1 20 20 CYS H H 1 7.149 0.010 . 1 . . . . 677 CYS H . 15161 1 181 . 1 1 20 20 CYS HA H 1 5.048 0.009 . 1 . . . . 677 CYS HA . 15161 1 182 . 1 1 20 20 CYS HB2 H 1 3.330 0.016 . 2 . . . . 677 CYS HB2 . 15161 1 183 . 1 1 20 20 CYS HB3 H 1 3.742 0.006 . 2 . . . . 677 CYS HB3 . 15161 1 184 . 1 1 20 20 CYS C C 13 176.966 0.000 . 1 . . . . 677 CYS C . 15161 1 185 . 1 1 20 20 CYS CA C 13 56.833 0.163 . 1 . . . . 677 CYS CA . 15161 1 186 . 1 1 20 20 CYS CB C 13 33.450 0.146 . 1 . . . . 677 CYS CB . 15161 1 187 . 1 1 20 20 CYS N N 15 113.638 0.075 . 1 . . . . 677 CYS N . 15161 1 188 . 1 1 21 21 ASN H H 1 8.732 0.009 . 1 . . . . 678 ASN H . 15161 1 189 . 1 1 21 21 ASN HA H 1 4.548 0.010 . 1 . . . . 678 ASN HA . 15161 1 190 . 1 1 21 21 ASN HB2 H 1 2.817 0.009 . 2 . . . . 678 ASN HB2 . 15161 1 191 . 1 1 21 21 ASN HB3 H 1 3.139 0.007 . 2 . . . . 678 ASN HB3 . 15161 1 192 . 1 1 21 21 ASN C C 13 173.937 0.000 . 1 . . . . 678 ASN C . 15161 1 193 . 1 1 21 21 ASN CA C 13 55.194 0.218 . 1 . . . . 678 ASN CA . 15161 1 194 . 1 1 21 21 ASN CB C 13 38.599 0.108 . 1 . . . . 678 ASN CB . 15161 1 195 . 1 1 21 21 ASN N N 15 123.508 0.073 . 1 . . . . 678 ASN N . 15161 1 196 . 1 1 22 22 THR H H 1 8.008 0.009 . 1 . . . . 679 THR H . 15161 1 197 . 1 1 22 22 THR HA H 1 4.372 0.012 . 1 . . . . 679 THR HA . 15161 1 198 . 1 1 22 22 THR HB H 1 4.297 0.018 . 1 . . . . 679 THR HB . 15161 1 199 . 1 1 22 22 THR HG21 H 1 1.449 0.012 . 1 . . . . 679 THR HG2 . 15161 1 200 . 1 1 22 22 THR HG22 H 1 1.449 0.012 . 1 . . . . 679 THR HG2 . 15161 1 201 . 1 1 22 22 THR HG23 H 1 1.449 0.012 . 1 . . . . 679 THR HG2 . 15161 1 202 . 1 1 22 22 THR C C 13 172.566 0.000 . 1 . . . . 679 THR C . 15161 1 203 . 1 1 22 22 THR CA C 13 65.166 0.182 . 1 . . . . 679 THR CA . 15161 1 204 . 1 1 22 22 THR CB C 13 71.983 0.262 . 1 . . . . 679 THR CB . 15161 1 205 . 1 1 22 22 THR CG2 C 13 20.883 0.088 . 1 . . . . 679 THR CG2 . 15161 1 206 . 1 1 22 22 THR N N 15 113.975 0.093 . 1 . . . . 679 THR N . 15161 1 207 . 1 1 23 23 ALA H H 1 6.874 0.008 . 1 . . . . 680 ALA H . 15161 1 208 . 1 1 23 23 ALA HA H 1 1.347 0.008 . 1 . . . . 680 ALA HA . 15161 1 209 . 1 1 23 23 ALA HB1 H 1 0.055 0.008 . 1 . . . . 680 ALA HB . 15161 1 210 . 1 1 23 23 ALA HB2 H 1 0.055 0.008 . 1 . . . . 680 ALA HB . 15161 1 211 . 1 1 23 23 ALA HB3 H 1 0.055 0.008 . 1 . . . . 680 ALA HB . 15161 1 212 . 1 1 23 23 ALA C C 13 174.516 0.000 . 1 . . . . 680 ALA C . 15161 1 213 . 1 1 23 23 ALA CA C 13 52.446 0.154 . 1 . . . . 680 ALA CA . 15161 1 214 . 1 1 23 23 ALA CB C 13 19.592 0.135 . 1 . . . . 680 ALA CB . 15161 1 215 . 1 1 23 23 ALA N N 15 125.738 0.070 . 1 . . . . 680 ALA N . 15161 1 216 . 1 1 24 24 ARG H H 1 4.262 0.011 . 1 . . . . 681 ARG H . 15161 1 217 . 1 1 24 24 ARG HA H 1 4.743 0.008 . 1 . . . . 681 ARG HA . 15161 1 218 . 1 1 24 24 ARG HB2 H 1 1.355 0.011 . 2 . . . . 681 ARG HB2 . 15161 1 219 . 1 1 24 24 ARG HB3 H 1 1.482 0.006 . 2 . . . . 681 ARG HB3 . 15161 1 220 . 1 1 24 24 ARG HG2 H 1 1.505 0.002 . 2 . . . . 681 ARG HG2 . 15161 1 221 . 1 1 24 24 ARG HG3 H 1 1.600 0.010 . 2 . . . . 681 ARG HG3 . 15161 1 222 . 1 1 24 24 ARG HD2 H 1 3.006 0.009 . 2 . . . . 681 ARG HD2 . 15161 1 223 . 1 1 24 24 ARG HE H 1 6.817 0.006 . 1 . . . . 681 ARG HE . 15161 1 224 . 1 1 24 24 ARG C C 13 173.879 0.000 . 1 . . . . 681 ARG C . 15161 1 225 . 1 1 24 24 ARG CA C 13 52.505 0.197 . 1 . . . . 681 ARG CA . 15161 1 226 . 1 1 24 24 ARG CB C 13 32.549 0.138 . 1 . . . . 681 ARG CB . 15161 1 227 . 1 1 24 24 ARG CG C 13 26.229 0.170 . 1 . . . . 681 ARG CG . 15161 1 228 . 1 1 24 24 ARG CD C 13 43.000 0.231 . 1 . . . . 681 ARG CD . 15161 1 229 . 1 1 24 24 ARG N N 15 116.852 0.128 . 1 . . . . 681 ARG N . 15161 1 230 . 1 1 24 24 ARG NE N 15 75.145 27.988 . 1 . . . . 681 ARG NE . 15161 1 231 . 1 1 25 25 TYR H H 1 8.406 0.010 . 1 . . . . 682 TYR H . 15161 1 232 . 1 1 25 25 TYR HA H 1 6.420 0.010 . 1 . . . . 682 TYR HA . 15161 1 233 . 1 1 25 25 TYR HB2 H 1 2.384 0.007 . 2 . . . . 682 TYR HB2 . 15161 1 234 . 1 1 25 25 TYR HB3 H 1 3.414 0.010 . 2 . . . . 682 TYR HB3 . 15161 1 235 . 1 1 25 25 TYR HD1 H 1 7.178 0.002 . 3 . . . . 682 TYR HD1 . 15161 1 236 . 1 1 25 25 TYR HD2 H 1 7.192 0.001 . 3 . . . . 682 TYR HD2 . 15161 1 237 . 1 1 25 25 TYR HE1 H 1 6.866 0.003 . 3 . . . . 682 TYR HE1 . 15161 1 238 . 1 1 25 25 TYR HE2 H 1 6.886 0.001 . 3 . . . . 682 TYR HE2 . 15161 1 239 . 1 1 25 25 TYR C C 13 176.259 0.000 . 1 . . . . 682 TYR C . 15161 1 240 . 1 1 25 25 TYR CA C 13 56.327 0.175 . 1 . . . . 682 TYR CA . 15161 1 241 . 1 1 25 25 TYR CB C 13 44.661 0.136 . 1 . . . . 682 TYR CB . 15161 1 242 . 1 1 25 25 TYR CD1 C 13 133.434 0.046 . 3 . . . . 682 TYR CD1 . 15161 1 243 . 1 1 25 25 TYR CD2 C 13 133.559 0.184 . 3 . . . . 682 TYR CD2 . 15161 1 244 . 1 1 25 25 TYR CE1 C 13 118.510 0.012 . 3 . . . . 682 TYR CE1 . 15161 1 245 . 1 1 25 25 TYR CE2 C 13 118.457 0.019 . 3 . . . . 682 TYR CE2 . 15161 1 246 . 1 1 25 25 TYR N N 15 115.401 0.083 . 1 . . . . 682 TYR N . 15161 1 247 . 1 1 26 26 CYS H H 1 9.631 0.011 . 1 . . . . 683 CYS H . 15161 1 248 . 1 1 26 26 CYS HA H 1 4.884 0.007 . 1 . . . . 683 CYS HA . 15161 1 249 . 1 1 26 26 CYS HB2 H 1 2.833 0.010 . 2 . . . . 683 CYS HB2 . 15161 1 250 . 1 1 26 26 CYS HB3 H 1 3.359 0.010 . 2 . . . . 683 CYS HB3 . 15161 1 251 . 1 1 26 26 CYS C C 13 174.693 0.000 . 1 . . . . 683 CYS C . 15161 1 252 . 1 1 26 26 CYS CA C 13 60.525 0.188 . 1 . . . . 683 CYS CA . 15161 1 253 . 1 1 26 26 CYS CB C 13 30.649 0.167 . 1 . . . . 683 CYS CB . 15161 1 254 . 1 1 26 26 CYS N N 15 120.650 0.083 . 1 . . . . 683 CYS N . 15161 1 255 . 1 1 27 27 GLY H H 1 7.299 0.012 . 1 . . . . 684 GLY H . 15161 1 256 . 1 1 27 27 GLY HA2 H 1 4.089 0.011 . 2 . . . . 684 GLY HA2 . 15161 1 257 . 1 1 27 27 GLY HA3 H 1 4.463 0.013 . 2 . . . . 684 GLY HA3 . 15161 1 258 . 1 1 27 27 GLY C C 13 173.142 0.000 . 1 . . . . 684 GLY C . 15161 1 259 . 1 1 27 27 GLY CA C 13 45.060 0.197 . 1 . . . . 684 GLY CA . 15161 1 260 . 1 1 27 27 GLY N N 15 108.096 0.053 . 1 . . . . 684 GLY N . 15161 1 261 . 1 1 28 28 SER H H 1 8.657 0.006 . 1 . . . . 685 SER H . 15161 1 262 . 1 1 28 28 SER HA H 1 4.199 0.005 . 1 . . . . 685 SER HA . 15161 1 263 . 1 1 28 28 SER HB2 H 1 3.922 0.002 . 2 . . . . 685 SER HB2 . 15161 1 264 . 1 1 28 28 SER HB3 H 1 3.953 0.009 . 2 . . . . 685 SER HB3 . 15161 1 265 . 1 1 28 28 SER C C 13 176.677 0.000 . 1 . . . . 685 SER C . 15161 1 266 . 1 1 28 28 SER CA C 13 61.262 0.214 . 1 . . . . 685 SER CA . 15161 1 267 . 1 1 28 28 SER CB C 13 63.306 0.078 . 1 . . . . 685 SER CB . 15161 1 268 . 1 1 28 28 SER N N 15 114.890 0.087 . 1 . . . . 685 SER N . 15161 1 269 . 1 1 29 29 PHE H H 1 8.568 0.008 . 1 . . . . 686 PHE H . 15161 1 270 . 1 1 29 29 PHE HA H 1 4.275 0.019 . 1 . . . . 686 PHE HA . 15161 1 271 . 1 1 29 29 PHE HB2 H 1 3.278 0.010 . 2 . . . . 686 PHE HB2 . 15161 1 272 . 1 1 29 29 PHE HD1 H 1 7.380 0.012 . 3 . . . . 686 PHE HD1 . 15161 1 273 . 1 1 29 29 PHE HE1 H 1 7.382 0.015 . 3 . . . . 686 PHE HE1 . 15161 1 274 . 1 1 29 29 PHE HZ H 1 7.280 0.004 . 1 . . . . 686 PHE HZ . 15161 1 275 . 1 1 29 29 PHE C C 13 178.805 0.000 . 1 . . . . 686 PHE C . 15161 1 276 . 1 1 29 29 PHE CA C 13 62.287 0.115 . 1 . . . . 686 PHE CA . 15161 1 277 . 1 1 29 29 PHE CB C 13 38.479 0.134 . 1 . . . . 686 PHE CB . 15161 1 278 . 1 1 29 29 PHE CD1 C 13 132.260 0.048 . 3 . . . . 686 PHE CD1 . 15161 1 279 . 1 1 29 29 PHE CD2 C 13 132.246 0.000 . 3 . . . . 686 PHE CD2 . 15161 1 280 . 1 1 29 29 PHE CE1 C 13 130.015 0.000 . 3 . . . . 686 PHE CE1 . 15161 1 281 . 1 1 29 29 PHE CE2 C 13 130.015 0.000 . 3 . . . . 686 PHE CE2 . 15161 1 282 . 1 1 29 29 PHE CZ C 13 132.076 0.080 . 1 . . . . 686 PHE CZ . 15161 1 283 . 1 1 29 29 PHE N N 15 124.478 0.036 . 1 . . . . 686 PHE N . 15161 1 284 . 1 1 30 30 CYS H H 1 8.742 0.011 . 1 . . . . 687 CYS H . 15161 1 285 . 1 1 30 30 CYS HA H 1 4.005 0.007 . 1 . . . . 687 CYS HA . 15161 1 286 . 1 1 30 30 CYS HB2 H 1 3.068 0.010 . 2 . . . . 687 CYS HB2 . 15161 1 287 . 1 1 30 30 CYS HB3 H 1 3.159 0.013 . 2 . . . . 687 CYS HB3 . 15161 1 288 . 1 1 30 30 CYS C C 13 176.809 0.000 . 1 . . . . 687 CYS C . 15161 1 289 . 1 1 30 30 CYS CA C 13 65.948 0.194 . 1 . . . . 687 CYS CA . 15161 1 290 . 1 1 30 30 CYS CB C 13 32.098 0.150 . 1 . . . . 687 CYS CB . 15161 1 291 . 1 1 30 30 CYS N N 15 121.037 0.124 . 1 . . . . 687 CYS N . 15161 1 292 . 1 1 31 31 GLN H H 1 7.499 0.013 . 1 . . . . 688 GLN H . 15161 1 293 . 1 1 31 31 GLN HA H 1 1.895 0.011 . 1 . . . . 688 GLN HA . 15161 1 294 . 1 1 31 31 GLN HB2 H 1 1.382 0.008 . 2 . . . . 688 GLN HB2 . 15161 1 295 . 1 1 31 31 GLN HB3 H 1 1.897 0.007 . 2 . . . . 688 GLN HB3 . 15161 1 296 . 1 1 31 31 GLN HG2 H 1 2.043 0.012 . 2 . . . . 688 GLN HG2 . 15161 1 297 . 1 1 31 31 GLN HE21 H 1 7.641 0.005 . 2 . . . . 688 GLN HE21 . 15161 1 298 . 1 1 31 31 GLN HE22 H 1 6.845 0.005 . 2 . . . . 688 GLN HE22 . 15161 1 299 . 1 1 31 31 GLN C C 13 178.753 0.000 . 1 . . . . 688 GLN C . 15161 1 300 . 1 1 31 31 GLN CA C 13 59.041 0.190 . 1 . . . . 688 GLN CA . 15161 1 301 . 1 1 31 31 GLN CB C 13 28.040 0.183 . 1 . . . . 688 GLN CB . 15161 1 302 . 1 1 31 31 GLN CG C 13 33.003 0.322 . 1 . . . . 688 GLN CG . 15161 1 303 . 1 1 31 31 GLN N N 15 118.492 0.068 . 1 . . . . 688 GLN N . 15161 1 304 . 1 1 31 31 GLN NE2 N 15 109.887 0.042 . 1 . . . . 688 GLN NE2 . 15161 1 305 . 1 1 32 32 HIS H H 1 8.237 0.173 . 1 . . . . 689 HIS H . 15161 1 306 . 1 1 32 32 HIS HA H 1 4.337 0.014 . 1 . . . . 689 HIS HA . 15161 1 307 . 1 1 32 32 HIS HB2 H 1 3.215 0.018 . 2 . . . . 689 HIS HB2 . 15161 1 308 . 1 1 32 32 HIS HD2 H 1 7.082 0.002 . 1 . . . . 689 HIS HD2 . 15161 1 309 . 1 1 32 32 HIS HE1 H 1 8.204 0.001 . 1 . . . . 689 HIS HE1 . 15161 1 310 . 1 1 32 32 HIS C C 13 178.143 0.000 . 1 . . . . 689 HIS C . 15161 1 311 . 1 1 32 32 HIS CA C 13 58.941 0.168 . 1 . . . . 689 HIS CA . 15161 1 312 . 1 1 32 32 HIS CB C 13 28.511 0.170 . 1 . . . . 689 HIS CB . 15161 1 313 . 1 1 32 32 HIS CD2 C 13 120.168 0.168 . 1 . . . . 689 HIS CD2 . 15161 1 314 . 1 1 32 32 HIS CE1 C 13 137.133 0.029 . 1 . . . . 689 HIS CE1 . 15161 1 315 . 1 1 32 32 HIS N N 15 116.768 0.326 . 1 . . . . 689 HIS N . 15161 1 316 . 1 1 33 33 LYS H H 1 8.403 0.010 . 1 . . . . 690 LYS H . 15161 1 317 . 1 1 33 33 LYS HA H 1 4.034 0.015 . 1 . . . . 690 LYS HA . 15161 1 318 . 1 1 33 33 LYS HB2 H 1 1.721 0.007 . 2 . . . . 690 LYS HB2 . 15161 1 319 . 1 1 33 33 LYS HB3 H 1 1.849 0.013 . 2 . . . . 690 LYS HB3 . 15161 1 320 . 1 1 33 33 LYS HG2 H 1 1.490 0.018 . 2 . . . . 690 LYS HG2 . 15161 1 321 . 1 1 33 33 LYS HD2 H 1 1.716 0.005 . 2 . . . . 690 LYS HD2 . 15161 1 322 . 1 1 33 33 LYS HE2 H 1 3.035 0.006 . 2 . . . . 690 LYS HE2 . 15161 1 323 . 1 1 33 33 LYS HE3 H 1 3.090 0.016 . 2 . . . . 690 LYS HE3 . 15161 1 324 . 1 1 33 33 LYS C C 13 178.547 0.000 . 1 . . . . 690 LYS C . 15161 1 325 . 1 1 33 33 LYS CA C 13 58.452 0.197 . 1 . . . . 690 LYS CA . 15161 1 326 . 1 1 33 33 LYS CB C 13 32.079 0.156 . 1 . . . . 690 LYS CB . 15161 1 327 . 1 1 33 33 LYS CG C 13 24.702 0.126 . 1 . . . . 690 LYS CG . 15161 1 328 . 1 1 33 33 LYS CD C 13 28.872 0.212 . 1 . . . . 690 LYS CD . 15161 1 329 . 1 1 33 33 LYS CE C 13 42.552 0.193 . 1 . . . . 690 LYS CE . 15161 1 330 . 1 1 33 33 LYS N N 15 122.300 0.093 . 1 . . . . 690 LYS N . 15161 1 331 . 1 1 34 34 ASP H H 1 7.795 0.009 . 1 . . . . 691 ASP H . 15161 1 332 . 1 1 34 34 ASP HA H 1 5.085 0.011 . 1 . . . . 691 ASP HA . 15161 1 333 . 1 1 34 34 ASP HB2 H 1 2.638 0.009 . 2 . . . . 691 ASP HB2 . 15161 1 334 . 1 1 34 34 ASP HB3 H 1 2.781 0.005 . 2 . . . . 691 ASP HB3 . 15161 1 335 . 1 1 34 34 ASP C C 13 176.501 0.000 . 1 . . . . 691 ASP C . 15161 1 336 . 1 1 34 34 ASP CA C 13 54.760 0.183 . 1 . . . . 691 ASP CA . 15161 1 337 . 1 1 34 34 ASP CB C 13 43.948 0.144 . 1 . . . . 691 ASP CB . 15161 1 338 . 1 1 34 34 ASP N N 15 115.742 0.088 . 1 . . . . 691 ASP N . 15161 1 339 . 1 1 35 35 TRP H H 1 7.634 0.012 . 1 . . . . 692 TRP H . 15161 1 340 . 1 1 35 35 TRP HA H 1 4.608 0.012 . 1 . . . . 692 TRP HA . 15161 1 341 . 1 1 35 35 TRP HB2 H 1 3.394 0.007 . 2 . . . . 692 TRP HB2 . 15161 1 342 . 1 1 35 35 TRP HB3 H 1 3.579 0.013 . 2 . . . . 692 TRP HB3 . 15161 1 343 . 1 1 35 35 TRP HD1 H 1 7.298 0.011 . 1 . . . . 692 TRP HD1 . 15161 1 344 . 1 1 35 35 TRP HE1 H 1 10.018 0.044 . 1 . . . . 692 TRP HE1 . 15161 1 345 . 1 1 35 35 TRP HE3 H 1 7.763 0.010 . 1 . . . . 692 TRP HE3 . 15161 1 346 . 1 1 35 35 TRP HZ2 H 1 7.231 0.006 . 1 . . . . 692 TRP HZ2 . 15161 1 347 . 1 1 35 35 TRP HZ3 H 1 7.224 0.007 . 1 . . . . 692 TRP HZ3 . 15161 1 348 . 1 1 35 35 TRP HH2 H 1 7.099 0.001 . 1 . . . . 692 TRP HH2 . 15161 1 349 . 1 1 35 35 TRP C C 13 177.913 0.000 . 1 . . . . 692 TRP C . 15161 1 350 . 1 1 35 35 TRP CA C 13 61.860 0.202 . 1 . . . . 692 TRP CA . 15161 1 351 . 1 1 35 35 TRP CB C 13 29.852 0.159 . 1 . . . . 692 TRP CB . 15161 1 352 . 1 1 35 35 TRP CD1 C 13 127.383 0.093 . 1 . . . . 692 TRP CD1 . 15161 1 353 . 1 1 35 35 TRP CE3 C 13 120.880 0.113 . 1 . . . . 692 TRP CE3 . 15161 1 354 . 1 1 35 35 TRP CZ2 C 13 114.829 0.012 . 1 . . . . 692 TRP CZ2 . 15161 1 355 . 1 1 35 35 TRP CZ3 C 13 122.559 0.154 . 1 . . . . 692 TRP CZ3 . 15161 1 356 . 1 1 35 35 TRP CH2 C 13 124.912 0.044 . 1 . . . . 692 TRP CH2 . 15161 1 357 . 1 1 35 35 TRP N N 15 121.032 0.040 . 1 . . . . 692 TRP N . 15161 1 358 . 1 1 35 35 TRP NE1 N 15 129.096 0.012 . 1 . . . . 692 TRP NE1 . 15161 1 359 . 1 1 36 36 GLU H H 1 8.576 0.018 . 1 . . . . 693 GLU H . 15161 1 360 . 1 1 36 36 GLU HA H 1 3.906 0.009 . 1 . . . . 693 GLU HA . 15161 1 361 . 1 1 36 36 GLU HB2 H 1 2.232 0.008 . 2 . . . . 693 GLU HB2 . 15161 1 362 . 1 1 36 36 GLU HB3 H 1 2.324 0.009 . 2 . . . . 693 GLU HB3 . 15161 1 363 . 1 1 36 36 GLU HG2 H 1 2.479 0.010 . 2 . . . . 693 GLU HG2 . 15161 1 364 . 1 1 36 36 GLU C C 13 177.715 0.000 . 1 . . . . 693 GLU C . 15161 1 365 . 1 1 36 36 GLU CA C 13 60.451 0.242 . 1 . . . . 693 GLU CA . 15161 1 366 . 1 1 36 36 GLU CB C 13 29.246 0.190 . 1 . . . . 693 GLU CB . 15161 1 367 . 1 1 36 36 GLU CG C 13 36.298 0.138 . 1 . . . . 693 GLU CG . 15161 1 368 . 1 1 36 36 GLU N N 15 119.371 0.112 . 1 . . . . 693 GLU N . 15161 1 369 . 1 1 37 37 LYS H H 1 7.790 0.011 . 1 . . . . 694 LYS H . 15161 1 370 . 1 1 37 37 LYS HA H 1 4.373 0.013 . 1 . . . . 694 LYS HA . 15161 1 371 . 1 1 37 37 LYS HB2 H 1 2.083 0.006 . 2 . . . . 694 LYS HB2 . 15161 1 372 . 1 1 37 37 LYS HG2 H 1 1.552 0.027 . 2 . . . . 694 LYS HG2 . 15161 1 373 . 1 1 37 37 LYS HG3 H 1 1.664 0.030 . 2 . . . . 694 LYS HG3 . 15161 1 374 . 1 1 37 37 LYS HD2 H 1 1.943 0.006 . 2 . . . . 694 LYS HD2 . 15161 1 375 . 1 1 37 37 LYS HE2 H 1 3.196 0.006 . 2 . . . . 694 LYS HE2 . 15161 1 376 . 1 1 37 37 LYS C C 13 179.450 0.000 . 1 . . . . 694 LYS C . 15161 1 377 . 1 1 37 37 LYS CA C 13 58.539 0.225 . 1 . . . . 694 LYS CA . 15161 1 378 . 1 1 37 37 LYS CB C 13 33.550 0.135 . 1 . . . . 694 LYS CB . 15161 1 379 . 1 1 37 37 LYS CG C 13 25.237 0.157 . 1 . . . . 694 LYS CG . 15161 1 380 . 1 1 37 37 LYS CD C 13 29.577 0.233 . 1 . . . . 694 LYS CD . 15161 1 381 . 1 1 37 37 LYS CE C 13 42.423 0.201 . 1 . . . . 694 LYS CE . 15161 1 382 . 1 1 37 37 LYS N N 15 116.950 0.116 . 1 . . . . 694 LYS N . 15161 1 383 . 1 1 38 38 HIS H H 1 9.267 0.009 . 1 . . . . 695 HIS H . 15161 1 384 . 1 1 38 38 HIS HA H 1 4.547 0.013 . 1 . . . . 695 HIS HA . 15161 1 385 . 1 1 38 38 HIS HB2 H 1 3.142 0.007 . 2 . . . . 695 HIS HB2 . 15161 1 386 . 1 1 38 38 HIS HB3 H 1 3.579 0.013 . 2 . . . . 695 HIS HB3 . 15161 1 387 . 1 1 38 38 HIS HD2 H 1 7.043 0.019 . 1 . . . . 695 HIS HD2 . 15161 1 388 . 1 1 38 38 HIS HE1 H 1 7.981 0.012 . 1 . . . . 695 HIS HE1 . 15161 1 389 . 1 1 38 38 HIS C C 13 178.081 0.000 . 1 . . . . 695 HIS C . 15161 1 390 . 1 1 38 38 HIS CA C 13 59.057 0.210 . 1 . . . . 695 HIS CA . 15161 1 391 . 1 1 38 38 HIS CB C 13 29.947 0.145 . 1 . . . . 695 HIS CB . 15161 1 392 . 1 1 38 38 HIS CD2 C 13 126.987 0.155 . 1 . . . . 695 HIS CD2 . 15161 1 393 . 1 1 38 38 HIS CE1 C 13 143.099 10.300 . 1 . . . . 695 HIS CE1 . 15161 1 394 . 1 1 38 38 HIS N N 15 119.225 0.074 . 1 . . . . 695 HIS N . 15161 1 395 . 1 1 38 38 HIS NE2 N 15 215.137 0.004 . 1 . . . . 695 HIS NE2 . 15161 1 396 . 1 1 39 39 HIS H H 1 8.713 0.015 . 1 . . . . 696 HIS H . 15161 1 397 . 1 1 39 39 HIS HA H 1 3.654 0.014 . 1 . . . . 696 HIS HA . 15161 1 398 . 1 1 39 39 HIS HB2 H 1 1.550 0.024 . 2 . . . . 696 HIS HB2 . 15161 1 399 . 1 1 39 39 HIS HB3 H 1 2.428 0.009 . 2 . . . . 696 HIS HB3 . 15161 1 400 . 1 1 39 39 HIS HD2 H 1 6.860 0.004 . 1 . . . . 696 HIS HD2 . 15161 1 401 . 1 1 39 39 HIS HE1 H 1 8.136 0.010 . 1 . . . . 696 HIS HE1 . 15161 1 402 . 1 1 39 39 HIS C C 13 175.242 0.000 . 1 . . . . 696 HIS C . 15161 1 403 . 1 1 39 39 HIS CA C 13 58.450 0.189 . 1 . . . . 696 HIS CA . 15161 1 404 . 1 1 39 39 HIS CB C 13 26.113 0.157 . 1 . . . . 696 HIS CB . 15161 1 405 . 1 1 39 39 HIS CD2 C 13 120.974 0.130 . 1 . . . . 696 HIS CD2 . 15161 1 406 . 1 1 39 39 HIS CE1 C 13 136.736 0.010 . 1 . . . . 696 HIS CE1 . 15161 1 407 . 1 1 39 39 HIS N N 15 114.471 0.073 . 1 . . . . 696 HIS N . 15161 1 408 . 1 1 39 39 HIS ND1 N 15 177.997 0.000 . 1 . . . . 696 HIS ND1 . 15161 1 409 . 1 1 39 39 HIS NE2 N 15 177.282 0.036 . 1 . . . . 696 HIS NE2 . 15161 1 410 . 1 1 40 40 HIS H H 1 6.789 0.021 . 1 . . . . 697 HIS H . 15161 1 411 . 1 1 40 40 HIS HA H 1 4.143 0.013 . 1 . . . . 697 HIS HA . 15161 1 412 . 1 1 40 40 HIS HB2 H 1 2.957 0.014 . 2 . . . . 697 HIS HB2 . 15161 1 413 . 1 1 40 40 HIS HB3 H 1 3.151 0.012 . 2 . . . . 697 HIS HB3 . 15161 1 414 . 1 1 40 40 HIS HD2 H 1 7.222 0.010 . 1 . . . . 697 HIS HD2 . 15161 1 415 . 1 1 40 40 HIS HE1 H 1 8.187 0.031 . 1 . . . . 697 HIS HE1 . 15161 1 416 . 1 1 40 40 HIS C C 13 175.754 0.000 . 1 . . . . 697 HIS C . 15161 1 417 . 1 1 40 40 HIS CA C 13 58.204 0.183 . 1 . . . . 697 HIS CA . 15161 1 418 . 1 1 40 40 HIS CB C 13 30.219 0.166 . 1 . . . . 697 HIS CB . 15161 1 419 . 1 1 40 40 HIS CD2 C 13 120.418 0.157 . 1 . . . . 697 HIS CD2 . 15161 1 420 . 1 1 40 40 HIS CE1 C 13 138.378 0.006 . 1 . . . . 697 HIS CE1 . 15161 1 421 . 1 1 40 40 HIS N N 15 114.645 0.020 . 1 . . . . 697 HIS N . 15161 1 422 . 1 1 40 40 HIS NE2 N 15 174.935 0.017 . 1 . . . . 697 HIS NE2 . 15161 1 423 . 1 1 41 41 ILE H H 1 7.218 0.011 . 1 . . . . 698 ILE H . 15161 1 424 . 1 1 41 41 ILE HA H 1 4.482 0.009 . 1 . . . . 698 ILE HA . 15161 1 425 . 1 1 41 41 ILE HB H 1 2.123 0.005 . 1 . . . . 698 ILE HB . 15161 1 426 . 1 1 41 41 ILE HG12 H 1 1.268 0.017 . 2 . . . . 698 ILE HG12 . 15161 1 427 . 1 1 41 41 ILE HG13 H 1 1.361 0.011 . 2 . . . . 698 ILE HG13 . 15161 1 428 . 1 1 41 41 ILE HG21 H 1 0.947 0.015 . 1 . . . . 698 ILE HG2 . 15161 1 429 . 1 1 41 41 ILE HG22 H 1 0.947 0.015 . 1 . . . . 698 ILE HG2 . 15161 1 430 . 1 1 41 41 ILE HG23 H 1 0.947 0.015 . 1 . . . . 698 ILE HG2 . 15161 1 431 . 1 1 41 41 ILE HD11 H 1 1.109 0.006 . 1 . . . . 698 ILE HD1 . 15161 1 432 . 1 1 41 41 ILE HD12 H 1 1.109 0.006 . 1 . . . . 698 ILE HD1 . 15161 1 433 . 1 1 41 41 ILE HD13 H 1 1.109 0.006 . 1 . . . . 698 ILE HD1 . 15161 1 434 . 1 1 41 41 ILE C C 13 175.335 0.000 . 1 . . . . 698 ILE C . 15161 1 435 . 1 1 41 41 ILE CA C 13 60.539 0.224 . 1 . . . . 698 ILE CA . 15161 1 436 . 1 1 41 41 ILE CB C 13 40.093 0.135 . 1 . . . . 698 ILE CB . 15161 1 437 . 1 1 41 41 ILE CG1 C 13 27.207 0.154 . 1 . . . . 698 ILE CG1 . 15161 1 438 . 1 1 41 41 ILE CG2 C 13 18.447 0.154 . 1 . . . . 698 ILE CG2 . 15161 1 439 . 1 1 41 41 ILE CD1 C 13 14.517 0.125 . 1 . . . . 698 ILE CD1 . 15161 1 440 . 1 1 41 41 ILE N N 15 111.185 0.076 . 1 . . . . 698 ILE N . 15161 1 441 . 1 1 42 42 CYS H H 1 7.171 0.009 . 1 . . . . 699 CYS H . 15161 1 442 . 1 1 42 42 CYS HA H 1 3.765 0.013 . 1 . . . . 699 CYS HA . 15161 1 443 . 1 1 42 42 CYS HB2 H 1 1.900 0.006 . 2 . . . . 699 CYS HB2 . 15161 1 444 . 1 1 42 42 CYS HB3 H 1 2.476 0.009 . 2 . . . . 699 CYS HB3 . 15161 1 445 . 1 1 42 42 CYS C C 13 176.115 0.000 . 1 . . . . 699 CYS C . 15161 1 446 . 1 1 42 42 CYS CA C 13 61.934 0.175 . 1 . . . . 699 CYS CA . 15161 1 447 . 1 1 42 42 CYS CB C 13 29.542 0.150 . 1 . . . . 699 CYS CB . 15161 1 448 . 1 1 42 42 CYS N N 15 126.040 0.057 . 1 . . . . 699 CYS N . 15161 1 449 . 1 1 43 43 GLY H H 1 8.329 0.011 . 1 . . . . 700 GLY H . 15161 1 450 . 1 1 43 43 GLY HA2 H 1 4.032 0.053 . 2 . . . . 700 GLY HA2 . 15161 1 451 . 1 1 43 43 GLY HA3 H 1 4.185 0.010 . 2 . . . . 700 GLY HA3 . 15161 1 452 . 1 1 43 43 GLY C C 13 174.766 0.000 . 1 . . . . 700 GLY C . 15161 1 453 . 1 1 43 43 GLY CA C 13 45.957 0.208 . 1 . . . . 700 GLY CA . 15161 1 454 . 1 1 43 43 GLY N N 15 113.993 0.119 . 1 . . . . 700 GLY N . 15161 1 455 . 1 1 44 44 GLN H H 1 8.121 0.010 . 1 . . . . 701 GLN H . 15161 1 456 . 1 1 44 44 GLN HA H 1 4.411 0.039 . 1 . . . . 701 GLN HA . 15161 1 457 . 1 1 44 44 GLN HB2 H 1 2.053 0.005 . 2 . . . . 701 GLN HB2 . 15161 1 458 . 1 1 44 44 GLN HB3 H 1 2.199 0.020 . 2 . . . . 701 GLN HB3 . 15161 1 459 . 1 1 44 44 GLN HG2 H 1 2.428 0.012 . 2 . . . . 701 GLN HG2 . 15161 1 460 . 1 1 44 44 GLN C C 13 176.561 0.000 . 1 . . . . 701 GLN C . 15161 1 461 . 1 1 44 44 GLN CA C 13 56.251 0.252 . 1 . . . . 701 GLN CA . 15161 1 462 . 1 1 44 44 GLN CB C 13 29.797 0.150 . 1 . . . . 701 GLN CB . 15161 1 463 . 1 1 44 44 GLN CG C 13 34.153 0.094 . 1 . . . . 701 GLN CG . 15161 1 464 . 1 1 44 44 GLN N N 15 119.450 0.071 . 1 . . . . 701 GLN N . 15161 1 465 . 1 1 45 45 THR H H 1 8.178 0.010 . 1 . . . . 702 THR H . 15161 1 466 . 1 1 45 45 THR HA H 1 4.406 0.021 . 1 . . . . 702 THR HA . 15161 1 467 . 1 1 45 45 THR HB H 1 4.331 0.009 . 1 . . . . 702 THR HB . 15161 1 468 . 1 1 45 45 THR HG21 H 1 1.312 0.016 . 1 . . . . 702 THR HG2 . 15161 1 469 . 1 1 45 45 THR HG22 H 1 1.312 0.016 . 1 . . . . 702 THR HG2 . 15161 1 470 . 1 1 45 45 THR HG23 H 1 1.312 0.016 . 1 . . . . 702 THR HG2 . 15161 1 471 . 1 1 45 45 THR C C 13 174.734 0.000 . 1 . . . . 702 THR C . 15161 1 472 . 1 1 45 45 THR CA C 13 62.642 0.264 . 1 . . . . 702 THR CA . 15161 1 473 . 1 1 45 45 THR CB C 13 69.631 0.162 . 1 . . . . 702 THR CB . 15161 1 474 . 1 1 45 45 THR CG2 C 13 21.731 0.171 . 1 . . . . 702 THR CG2 . 15161 1 475 . 1 1 45 45 THR N N 15 115.110 0.0641 . 1 . . . . 702 THR N . 15161 1 476 . 1 1 46 46 LEU H H 1 8.173 0.010 . 1 . . . . 703 LEU H . 15161 1 477 . 1 1 46 46 LEU HA H 1 4.435 0.013 . 1 . . . . 703 LEU HA . 15161 1 478 . 1 1 46 46 LEU HB2 H 1 1.694 0.005 . 2 . . . . 703 LEU HB2 . 15161 1 479 . 1 1 46 46 LEU HG H 1 1.676 0.015 . 1 . . . . 703 LEU HG . 15161 1 480 . 1 1 46 46 LEU HD11 H 1 0.973 0.007 . 2 . . . . 703 LEU HD1 . 15161 1 481 . 1 1 46 46 LEU HD12 H 1 0.973 0.007 . 2 . . . . 703 LEU HD1 . 15161 1 482 . 1 1 46 46 LEU HD13 H 1 0.973 0.007 . 2 . . . . 703 LEU HD1 . 15161 1 483 . 1 1 46 46 LEU HD21 H 1 1.014 0.005 . 2 . . . . 703 LEU HD2 . 15161 1 484 . 1 1 46 46 LEU HD22 H 1 1.014 0.005 . 2 . . . . 703 LEU HD2 . 15161 1 485 . 1 1 46 46 LEU HD23 H 1 1.014 0.005 . 2 . . . . 703 LEU HD2 . 15161 1 486 . 1 1 46 46 LEU C C 13 177.291 0.000 . 1 . . . . 703 LEU C . 15161 1 487 . 1 1 46 46 LEU CA C 13 55.624 0.212 . 1 . . . . 703 LEU CA . 15161 1 488 . 1 1 46 46 LEU CB C 13 42.659 0.182 . 1 . . . . 703 LEU CB . 15161 1 489 . 1 1 46 46 LEU CG C 13 27.368 0.208 . 1 . . . . 703 LEU CG . 15161 1 490 . 1 1 46 46 LEU CD1 C 13 25.152 0.170 . 2 . . . . 703 LEU CD1 . 15161 1 491 . 1 1 46 46 LEU CD2 C 13 24.825 0.184 . 2 . . . . 703 LEU CD2 . 15161 1 492 . 1 1 46 46 LEU N N 15 124.572 0.067 . 1 . . . . 703 LEU N . 15161 1 493 . 1 1 47 47 GLN H H 1 8.266 0.006 . 1 . . . . 704 GLN H . 15161 1 494 . 1 1 47 47 GLN HA H 1 4.388 0.008 . 1 . . . . 704 GLN HA . 15161 1 495 . 1 1 47 47 GLN HB2 H 1 1.798 0.000 . 2 . . . . 704 GLN HB2 . 15161 1 496 . 1 1 47 47 GLN HB3 H 1 1.905 0.000 . 2 . . . . 704 GLN HB3 . 15161 1 497 . 1 1 47 47 GLN HG2 H 1 2.445 0.000 . 2 . . . . 704 GLN HG2 . 15161 1 498 . 1 1 47 47 GLN C C 13 175.708 0.000 . 1 . . . . 704 GLN C . 15161 1 499 . 1 1 47 47 GLN CA C 13 56.162 0.238 . 1 . . . . 704 GLN CA . 15161 1 500 . 1 1 47 47 GLN CB C 13 29.842 0.211 . 1 . . . . 704 GLN CB . 15161 1 501 . 1 1 47 47 GLN CG C 13 34.206 0.167 . 1 . . . . 704 GLN CG . 15161 1 502 . 1 1 47 47 GLN N N 15 121.097 0.038 . 1 . . . . 704 GLN N . 15161 1 503 . 1 1 48 48 ALA H H 1 8.223 0.015 . 1 . . . . 705 ALA H . 15161 1 504 . 1 1 48 48 ALA HA H 1 4.376 0.010 . 1 . . . . 705 ALA HA . 15161 1 505 . 1 1 48 48 ALA HB1 H 1 1.458 0.008 . 1 . . . . 705 ALA HB . 15161 1 506 . 1 1 48 48 ALA HB2 H 1 1.458 0.008 . 1 . . . . 705 ALA HB . 15161 1 507 . 1 1 48 48 ALA HB3 H 1 1.458 0.008 . 1 . . . . 705 ALA HB . 15161 1 508 . 1 1 48 48 ALA C C 13 177.584 0.000 . 1 . . . . 705 ALA C . 15161 1 509 . 1 1 48 48 ALA CA C 13 52.748 0.179 . 1 . . . . 705 ALA CA . 15161 1 510 . 1 1 48 48 ALA CB C 13 19.513 0.182 . 1 . . . . 705 ALA CB . 15161 1 511 . 1 1 48 48 ALA N N 15 125.078 0.074 . 1 . . . . 705 ALA N . 15161 1 512 . 1 1 49 49 GLN H H 1 8.278 0.011 . 1 . . . . 706 GLN H . 15161 1 513 . 1 1 49 49 GLN HA H 1 4.467 0.022 . 1 . . . . 706 GLN HA . 15161 1 514 . 1 1 49 49 GLN HB2 H 1 2.081 0.000 . 2 . . . . 706 GLN HB2 . 15161 1 515 . 1 1 49 49 GLN HB3 H 1 2.182 0.000 . 2 . . . . 706 GLN HB3 . 15161 1 516 . 1 1 49 49 GLN HG2 H 1 2.398 0.000 . 2 . . . . 706 GLN HG2 . 15161 1 517 . 1 1 49 49 GLN C C 13 175.198 0.000 . 1 . . . . 706 GLN C . 15161 1 518 . 1 1 49 49 GLN CA C 13 56.238 0.221 . 1 . . . . 706 GLN CA . 15161 1 519 . 1 1 49 49 GLN CB C 13 30.008 0.203 . 1 . . . . 706 GLN CB . 15161 1 520 . 1 1 49 49 GLN CG C 13 34.195 0.157 . 1 . . . . 706 GLN CG . 15161 1 521 . 1 1 49 49 GLN N N 15 120.034 0.072 . 1 . . . . 706 GLN N . 15161 1 522 . 1 1 50 50 GLN H H 1 7.982 0.010 . 1 . . . . 707 GLN H . 15161 1 523 . 1 1 50 50 GLN HA H 1 4.243 0.003 . 1 . . . . 707 GLN HA . 15161 1 524 . 1 1 50 50 GLN HB2 H 1 2.005 0.008 . 2 . . . . 707 GLN HB2 . 15161 1 525 . 1 1 50 50 GLN HB3 H 1 2.186 0.003 . 2 . . . . 707 GLN HB3 . 15161 1 526 . 1 1 50 50 GLN HG2 H 1 2.362 0.003 . 2 . . . . 707 GLN HG2 . 15161 1 527 . 1 1 50 50 GLN CA C 13 57.554 0.074 . 1 . . . . 707 GLN CA . 15161 1 528 . 1 1 50 50 GLN CB C 13 30.519 0.106 . 1 . . . . 707 GLN CB . 15161 1 529 . 1 1 50 50 GLN CG C 13 34.497 0.054 . 1 . . . . 707 GLN CG . 15161 1 530 . 1 1 50 50 GLN N N 15 126.838 0.055 . 1 . . . . 707 GLN N . 15161 1 stop_ save_