data_15670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15670 _Entry.Title ; Solution structure of the free TAF3 PHD domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-22 _Entry.Accession_date 2008-02-22 _Entry.Last_release_date 2008-08-22 _Entry.Original_release_date 2008-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Solution structure of the free planthomeodomain finger of TFIID subunit TAF3' _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 Hugo 'van Ingen' . . . 15670 2 Frederik 'van Schaik' . M.A . 15670 3 Hans Wienk . . . 15670 4 Marc Timmers . . . 15670 5 Rolf Boelens . . . 15670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 15670 '15N chemical shifts' 73 15670 '1H chemical shifts' 496 15670 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 . . 2008-08-22 2008-02-22 original author . 15670 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15671 TAF3-PHD_H3K4me3 15670 PDB 2K16 'BMRB Entry Tracking System' 15670 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15670 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18682226 _Citation.Full_citation . _Citation.Title 'Structural Insight into the Recognition of the H3K4me3 Mark by the TFIID Subunit TAF3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full Structure _Citation.Journal_volume 16 _Citation.Journal_issue 8 _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 1245 _Citation.Page_last 1256 _Citation.Year 2008 _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 Hugo 'van Ingen' . . . 15670 1 2 Frederik 'van Schaik' . M.A. . 15670 1 3 Hans Wienk . . . 15670 1 4 Joost Ballering . . . 15670 1 5 Holger Rehmann . . . 15670 1 6 Annemarie Deschesne . C. . 15670 1 7 John Kruijzer . A.W. . 15670 1 8 Rob Liskamp . M.J. . 15670 1 9 'H. Th. Marc' Timmers . . . 15670 1 10 Rolf Boelens . . . 15670 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'histone modifications' 15670 1 NMR 15670 1 PHD 15670 1 TFIID 15670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15670 _Assembly.ID 1 _Assembly.Name 'TAF3-PHD finger' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 TAF3_PHD 1 $TAF3_PHD A . yes native no no . . . 15670 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 15670 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 15670 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . . . ZN . . . . 940 ZN2 na 15670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAF3_PHD _Entity.Sf_category entity _Entity.Sf_framecode TAF3_PHD _Entity.Entry_ID 15670 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TAF3_PHD _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 ; GSHMAMAYVIRDEWGNQIWI CPGCNKPDDGSPMIGCDDCD DWYHWPCVGIMAAPPEEMQW FCPKCANKIKKDKKH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 850-857 are non-native remaining from thrombin cleavage site' _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'planthomeodomain finger of TFIID subunit TAF3' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8611.966 _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 15671 . TAF3_PHD . . . . . 100.00 75 100.00 100.00 9.20e-47 . . . . 15670 1 2 no PDB 2K16 . "Solution Structure Of The Free Taf3 Phd Domain" . . . . . 100.00 75 100.00 100.00 9.20e-47 . . . . 15670 1 3 no PDB 2K17 . "Solution Structure Of The Taf3 Phd Domain In Complex With A H3k4me3 Peptide" . . . . . 100.00 75 100.00 100.00 9.20e-47 . . . . 15670 1 4 no DBJ BAE22792 . "unnamed protein product [Mus musculus]" . . . . . 90.67 554 100.00 100.00 1.07e-43 . . . . 15670 1 5 no DBJ BAE32543 . "unnamed protein product [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 6 no EMBL CAC34476 . "TAFII140 protein [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 7 no GB AAH89030 . "TAF3 RNA polymerase II, TATA box binding protein (TBP)-associated factor, partial [Mus musculus]" . . . . . 90.67 948 100.00 100.00 4.25e-44 . . . . 15670 1 8 no GB AAI37618 . "TAF3 RNA polymerase II, TATA box binding protein (TBP)-associated factor [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 9 no GB AAI37619 . "TAF3 RNA polymerase II, TATA box binding protein (TBP)-associated factor [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 10 no GB AAI72366 . "TAF3 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 140kDa [synthetic construct]" . . . . . 90.67 929 97.06 97.06 3.43e-41 . . . . 15670 1 11 no GB EDL08000 . "TAF3 RNA polymerase II, TATA box binding protein (TBP)-associated factor [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 12 no REF NP_001258271 . "transcription initiation factor TFIID subunit 3 [Rattus norvegicus]" . . . . . 90.67 930 100.00 100.00 7.24e-44 . . . . 15670 1 13 no REF NP_082024 . "transcription initiation factor TFIID subunit 3 [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 14 no REF NP_114129 . "transcription initiation factor TFIID subunit 3 [Homo sapiens]" . . . . . 90.67 929 97.06 97.06 3.43e-41 . . . . 15670 1 15 no REF XP_001157768 . "PREDICTED: transcription initiation factor TFIID subunit 3 [Pan troglodytes]" . . . . . 90.67 931 97.06 97.06 3.66e-41 . . . . 15670 1 16 no REF XP_002808540 . "PREDICTED: LOW QUALITY PROTEIN: transcription initiation factor TFIID subunit 3-like [Macaca mulatta]" . . . . . 90.67 1116 98.53 98.53 3.56e-42 . . . . 15670 1 17 no SP Q5HZG4 . "RecName: Full=Transcription initiation factor TFIID subunit 3; AltName: Full=140 kDa TATA box-binding protein-associated factor" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15670 1 18 no SP Q5VWG9 . "RecName: Full=Transcription initiation factor TFIID subunit 3; AltName: Full=140 kDa TATA box-binding protein-associated factor" . . . . . 90.67 929 97.06 97.06 3.43e-41 . . . . 15670 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 15670 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 1 850 GLY . 15670 1 2 851 SER . 15670 1 3 852 HIS . 15670 1 4 853 MET . 15670 1 5 854 ALA . 15670 1 6 855 MET . 15670 1 7 856 ALA . 15670 1 8 857 TYR . 15670 1 9 858 VAL . 15670 1 10 859 ILE . 15670 1 11 860 ARG . 15670 1 12 861 ASP . 15670 1 13 862 GLU . 15670 1 14 863 TRP . 15670 1 15 864 GLY . 15670 1 16 865 ASN . 15670 1 17 866 GLN . 15670 1 18 867 ILE . 15670 1 19 868 TRP . 15670 1 20 869 ILE . 15670 1 21 870 CYS . 15670 1 22 871 PRO . 15670 1 23 872 GLY . 15670 1 24 873 CYS . 15670 1 25 874 ASN . 15670 1 26 875 LYS . 15670 1 27 876 PRO . 15670 1 28 877 ASP . 15670 1 29 878 ASP . 15670 1 30 879 GLY . 15670 1 31 880 SER . 15670 1 32 881 PRO . 15670 1 33 882 MET . 15670 1 34 883 ILE . 15670 1 35 884 GLY . 15670 1 36 885 CYS . 15670 1 37 886 ASP . 15670 1 38 887 ASP . 15670 1 39 888 CYS . 15670 1 40 889 ASP . 15670 1 41 890 ASP . 15670 1 42 891 TRP . 15670 1 43 892 TYR . 15670 1 44 893 HIS . 15670 1 45 894 TRP . 15670 1 46 895 PRO . 15670 1 47 896 CYS . 15670 1 48 897 VAL . 15670 1 49 898 GLY . 15670 1 50 899 ILE . 15670 1 51 900 MET . 15670 1 52 901 ALA . 15670 1 53 902 ALA . 15670 1 54 903 PRO . 15670 1 55 904 PRO . 15670 1 56 905 GLU . 15670 1 57 906 GLU . 15670 1 58 907 MET . 15670 1 59 908 GLN . 15670 1 60 909 TRP . 15670 1 61 910 PHE . 15670 1 62 911 CYS . 15670 1 63 912 PRO . 15670 1 64 913 LYS . 15670 1 65 914 CYS . 15670 1 66 915 ALA . 15670 1 67 916 ASN . 15670 1 68 917 LYS . 15670 1 69 918 ILE . 15670 1 70 919 LYS . 15670 1 71 920 LYS . 15670 1 72 921 ASP . 15670 1 73 922 LYS . 15670 1 74 923 LYS . 15670 1 75 924 HIS . 15670 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15670 1 . SER 2 2 15670 1 . HIS 3 3 15670 1 . MET 4 4 15670 1 . ALA 5 5 15670 1 . MET 6 6 15670 1 . ALA 7 7 15670 1 . TYR 8 8 15670 1 . VAL 9 9 15670 1 . ILE 10 10 15670 1 . ARG 11 11 15670 1 . ASP 12 12 15670 1 . GLU 13 13 15670 1 . TRP 14 14 15670 1 . GLY 15 15 15670 1 . ASN 16 16 15670 1 . GLN 17 17 15670 1 . ILE 18 18 15670 1 . TRP 19 19 15670 1 . ILE 20 20 15670 1 . CYS 21 21 15670 1 . PRO 22 22 15670 1 . GLY 23 23 15670 1 . CYS 24 24 15670 1 . ASN 25 25 15670 1 . LYS 26 26 15670 1 . PRO 27 27 15670 1 . ASP 28 28 15670 1 . ASP 29 29 15670 1 . GLY 30 30 15670 1 . SER 31 31 15670 1 . PRO 32 32 15670 1 . MET 33 33 15670 1 . ILE 34 34 15670 1 . GLY 35 35 15670 1 . CYS 36 36 15670 1 . ASP 37 37 15670 1 . ASP 38 38 15670 1 . CYS 39 39 15670 1 . ASP 40 40 15670 1 . ASP 41 41 15670 1 . TRP 42 42 15670 1 . TYR 43 43 15670 1 . HIS 44 44 15670 1 . TRP 45 45 15670 1 . PRO 46 46 15670 1 . CYS 47 47 15670 1 . VAL 48 48 15670 1 . GLY 49 49 15670 1 . ILE 50 50 15670 1 . MET 51 51 15670 1 . ALA 52 52 15670 1 . ALA 53 53 15670 1 . PRO 54 54 15670 1 . PRO 55 55 15670 1 . GLU 56 56 15670 1 . GLU 57 57 15670 1 . MET 58 58 15670 1 . GLN 59 59 15670 1 . TRP 60 60 15670 1 . PHE 61 61 15670 1 . CYS 62 62 15670 1 . PRO 63 63 15670 1 . LYS 64 64 15670 1 . CYS 65 65 15670 1 . ALA 66 66 15670 1 . ASN 67 67 15670 1 . LYS 68 68 15670 1 . ILE 69 69 15670 1 . LYS 70 70 15670 1 . LYS 71 71 15670 1 . ASP 72 72 15670 1 . LYS 73 73 15670 1 . LYS 74 74 15670 1 . HIS 75 75 15670 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15670 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15670 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 15670 _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 $TAF3_PHD . 10090 organism . 'Mus musculus' . . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15670 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 15670 _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 $TAF3_PHD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . p . . . . . . 15670 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 15670 _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 ZN _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _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 Fri Feb 15 21:22:05 2008 ; _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 1.01 15670 ZN [Zn++] SMILES CACTVS 3.341 15670 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15670 ZN [Zn+2] SMILES ACDLabs 10.04 15670 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15670 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15670 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15670 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15670 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 . . . . . . . . . . . . . . . 15670 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TAF3_PHD '[U-13C; U-15N]' . . 1 $TAF3_PHD . . 150 . . mM . . . . 15670 1 2 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15670 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15670 1 4 ZnCl2 'natural abundance' . . . . . . 0.01 . . mM . . . . 15670 1 5 H2O . . . . . . . 95 . . % . . . . 15670 1 6 D2O . . . . . . . 5 . . % . . . . 15670 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 15670 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 15670 1 pressure 1 . atm 15670 1 temperature 293 . K 15670 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15670 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15670 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15670 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15670 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15670 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15670 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15670 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15670 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15670 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15670 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15670 4 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 15670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15670 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15670 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15670 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15670 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 15670 1 2 spectrometer_2 Bruker Avance . 750 . . . 15670 1 3 spectrometer_3 Bruker Avance . 700 . . . 15670 1 4 spectrometer_4 Bruker Avance . 600 . . . 15670 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 15670 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15670 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15670 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15670 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 15670 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'all shifts referenced via 1H water shift and calibrated temperature' 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 water protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 15670 1 H 1 water protons . . . . ppm 4.751 internal direct 1.000000000 . . . . . . . . . 15670 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15670 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 15670 _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 3 '2D 1H-1H NOESY' . . . 15670 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 GLY HA2 H 1 3.895 0.001 . 2 . . . . 850 GLY QA . 15670 1 2 . 1 1 1 1 GLY HA3 H 1 3.895 0.001 . 2 . . . . 850 GLY QA . 15670 1 3 . 1 1 1 1 GLY CA C 13 43.705 0.000 . 1 . . . . 850 GLY CA . 15670 1 4 . 1 1 2 2 SER HA H 1 4.563 0.001 . 1 . . . . 851 SER HA . 15670 1 5 . 1 1 2 2 SER HB2 H 1 3.866 0.002 . 2 . . . . 851 SER QB . 15670 1 6 . 1 1 2 2 SER HB3 H 1 3.866 0.002 . 2 . . . . 851 SER QB . 15670 1 7 . 1 1 2 2 SER CA C 13 58.435 0.000 . 1 . . . . 851 SER CA . 15670 1 8 . 1 1 2 2 SER CB C 13 64.144 0.029 . 1 . . . . 851 SER CB . 15670 1 9 . 1 1 3 3 HIS HA H 1 4.692 0.002 . . . . . . 852 HIS HA . 15670 1 10 . 1 1 3 3 HIS HB2 H 1 3.119 0.002 . . . . . . 852 HIS HB2 . 15670 1 11 . 1 1 3 3 HIS HB3 H 1 3.179 0.004 . . . . . . 852 HIS HB3 . 15670 1 12 . 1 1 3 3 HIS HD2 H 1 7.069 0.000 . . . . . . 852 HIS HD2 . 15670 1 13 . 1 1 3 3 HIS HE1 H 1 8.009 0.000 . . . . . . 852 HIS HE1 . 15670 1 14 . 1 1 3 3 HIS CA C 13 56.356 0.071 . . . . . . 852 HIS CA . 15670 1 15 . 1 1 3 3 HIS CB C 13 30.519 0.000 . . . . . . 852 HIS CB . 15670 1 16 . 1 1 3 3 HIS CD2 C 13 119.963 0.000 . . . . . . 852 HIS CD2 . 15670 1 17 . 1 1 3 3 HIS CE1 C 13 138.020 0.000 . . . . . . 852 HIS CE1 . 15670 1 18 . 1 1 4 4 MET H H 1 8.378 0.000 . 1 . . . . 853 MET H . 15670 1 19 . 1 1 4 4 MET HA H 1 4.433 0.002 . 1 . . . . 853 MET HA . 15670 1 20 . 1 1 4 4 MET HB2 H 1 2.061 0.000 . 2 . . . . 853 MET QB . 15670 1 21 . 1 1 4 4 MET HB3 H 1 2.061 0.000 . 2 . . . . 853 MET QB . 15670 1 22 . 1 1 4 4 MET HG2 H 1 1.961 0.004 . 2 . . . . 853 MET QG . 15670 1 23 . 1 1 4 4 MET HG3 H 1 1.961 0.004 . 2 . . . . 853 MET QG . 15670 1 24 . 1 1 5 5 ALA H H 1 8.386 0.003 . 1 . . . . 854 ALA H . 15670 1 25 . 1 1 5 5 ALA HA H 1 4.321 0.002 . 1 . . . . 854 ALA HA . 15670 1 26 . 1 1 5 5 ALA HB1 H 1 1.413 0.002 . . . . . . 854 ALA QB . 15670 1 27 . 1 1 5 5 ALA HB2 H 1 1.413 0.002 . . . . . . 854 ALA QB . 15670 1 28 . 1 1 5 5 ALA HB3 H 1 1.413 0.002 . . . . . . 854 ALA QB . 15670 1 29 . 1 1 5 5 ALA CA C 13 52.703 0.022 . 1 . . . . 854 ALA CA . 15670 1 30 . 1 1 5 5 ALA CB C 13 19.235 0.009 . 1 . . . . 854 ALA CB . 15670 1 31 . 1 1 5 5 ALA N N 15 125.438 0.007 . 1 . . . . 854 ALA N . 15670 1 32 . 1 1 6 6 MET H H 1 8.304 0.002 . 1 . . . . 855 MET H . 15670 1 33 . 1 1 6 6 MET HA H 1 4.423 0.005 . 1 . . . . 855 MET HA . 15670 1 34 . 1 1 6 6 MET HB2 H 1 2.025 0.002 . 2 . . . . 855 MET HB2 . 15670 1 35 . 1 1 6 6 MET HB3 H 1 1.954 0.003 . 2 . . . . 855 MET HB3 . 15670 1 36 . 1 1 6 6 MET HG2 H 1 2.497 0.000 . 2 . . . . 855 MET HG2 . 15670 1 37 . 1 1 6 6 MET HG3 H 1 2.522 0.007 . 2 . . . . 855 MET HG3 . 15670 1 38 . 1 1 6 6 MET CA C 13 55.453 0.052 . 1 . . . . 855 MET CA . 15670 1 39 . 1 1 6 6 MET CB C 13 32.959 0.017 . 1 . . . . 855 MET CB . 15670 1 40 . 1 1 6 6 MET CG C 13 32.407 0.000 . 1 . . . . 855 MET CG . 15670 1 41 . 1 1 6 6 MET N N 15 119.523 0.031 . 1 . . . . 855 MET N . 15670 1 42 . 1 1 7 7 ALA H H 1 8.174 0.003 . 1 . . . . 856 ALA H . 15670 1 43 . 1 1 7 7 ALA HA H 1 4.284 0.002 . 1 . . . . 856 ALA HA . 15670 1 44 . 1 1 7 7 ALA HB1 H 1 1.332 0.002 . . . . . . 856 ALA QB . 15670 1 45 . 1 1 7 7 ALA HB2 H 1 1.332 0.002 . . . . . . 856 ALA QB . 15670 1 46 . 1 1 7 7 ALA HB3 H 1 1.332 0.002 . . . . . . 856 ALA QB . 15670 1 47 . 1 1 7 7 ALA CA C 13 52.736 0.032 . 1 . . . . 856 ALA CA . 15670 1 48 . 1 1 7 7 ALA CB C 13 19.590 0.017 . 1 . . . . 856 ALA CB . 15670 1 49 . 1 1 7 7 ALA N N 15 124.393 0.017 . 1 . . . . 856 ALA N . 15670 1 50 . 1 1 8 8 TYR H H 1 8.311 0.002 . 1 . . . . 857 TYR H . 15670 1 51 . 1 1 8 8 TYR HA H 1 4.576 0.003 . 1 . . . . 857 TYR HA . 15670 1 52 . 1 1 8 8 TYR HB2 H 1 2.899 0.003 . 2 . . . . 857 TYR HB2 . 15670 1 53 . 1 1 8 8 TYR HB3 H 1 3.353 0.008 . 2 . . . . 857 TYR HB3 . 15670 1 54 . 1 1 8 8 TYR HD1 H 1 7.061 0.003 . 3 . . . . 857 TYR QD . 15670 1 55 . 1 1 8 8 TYR HD2 H 1 7.061 0.003 . 3 . . . . 857 TYR QD . 15670 1 56 . 1 1 8 8 TYR HE1 H 1 6.830 0.004 . 3 . . . . 857 TYR QE . 15670 1 57 . 1 1 8 8 TYR HE2 H 1 6.830 0.004 . 3 . . . . 857 TYR QE . 15670 1 58 . 1 1 8 8 TYR CA C 13 57.850 0.000 . 1 . . . . 857 TYR CA . 15670 1 59 . 1 1 8 8 TYR CB C 13 38.050 0.025 . 1 . . . . 857 TYR CB . 15670 1 60 . 1 1 8 8 TYR CD1 C 13 133.261 0.044 . 3 . . . . 857 TYR CD1 . 15670 1 61 . 1 1 8 8 TYR CE1 C 13 118.225 0.002 . 3 . . . . 857 TYR CE1 . 15670 1 62 . 1 1 8 8 TYR N N 15 119.354 0.031 . 1 . . . . 857 TYR N . 15670 1 63 . 1 1 9 9 VAL H H 1 7.640 0.003 . 1 . . . . 858 VAL H . 15670 1 64 . 1 1 9 9 VAL HA H 1 4.355 0.007 . 1 . . . . 858 VAL HA . 15670 1 65 . 1 1 9 9 VAL HB H 1 1.941 0.004 . 1 . . . . 858 VAL HB . 15670 1 66 . 1 1 9 9 VAL HG11 H 1 0.767 0.002 . . . . . . 858 VAL QG1 . 15670 1 67 . 1 1 9 9 VAL HG12 H 1 0.767 0.002 . . . . . . 858 VAL QG1 . 15670 1 68 . 1 1 9 9 VAL HG13 H 1 0.767 0.002 . . . . . . 858 VAL QG1 . 15670 1 69 . 1 1 9 9 VAL HG21 H 1 0.749 0.002 . . . . . . 858 VAL QG2 . 15670 1 70 . 1 1 9 9 VAL HG22 H 1 0.749 0.002 . . . . . . 858 VAL QG2 . 15670 1 71 . 1 1 9 9 VAL HG23 H 1 0.749 0.002 . . . . . . 858 VAL QG2 . 15670 1 72 . 1 1 9 9 VAL CA C 13 61.607 0.028 . 1 . . . . 858 VAL CA . 15670 1 73 . 1 1 9 9 VAL CB C 13 33.950 0.018 . 1 . . . . 858 VAL CB . 15670 1 74 . 1 1 9 9 VAL CG1 C 13 20.916 0.069 . 2 . . . . 858 VAL CG1 . 15670 1 75 . 1 1 9 9 VAL CG2 C 13 20.962 0.071 . 2 . . . . 858 VAL CG2 . 15670 1 76 . 1 1 9 9 VAL N N 15 120.468 0.020 . 1 . . . . 858 VAL N . 15670 1 77 . 1 1 10 10 ILE H H 1 8.504 0.007 . 1 . . . . 859 ILE H . 15670 1 78 . 1 1 10 10 ILE HA H 1 4.249 0.004 . 1 . . . . 859 ILE HA . 15670 1 79 . 1 1 10 10 ILE HB H 1 1.822 0.002 . 1 . . . . 859 ILE HB . 15670 1 80 . 1 1 10 10 ILE HD11 H 1 0.831 0.004 . . . . . . 859 ILE QD1 . 15670 1 81 . 1 1 10 10 ILE HD12 H 1 0.831 0.004 . . . . . . 859 ILE QD1 . 15670 1 82 . 1 1 10 10 ILE HD13 H 1 0.831 0.004 . . . . . . 859 ILE QD1 . 15670 1 83 . 1 1 10 10 ILE HG12 H 1 1.431 0.003 . 2 . . . . 859 ILE HG12 . 15670 1 84 . 1 1 10 10 ILE HG13 H 1 1.102 0.004 . 2 . . . . 859 ILE HG13 . 15670 1 85 . 1 1 10 10 ILE HG21 H 1 0.849 0.003 . . . . . . 859 ILE QG2 . 15670 1 86 . 1 1 10 10 ILE HG22 H 1 0.849 0.003 . . . . . . 859 ILE QG2 . 15670 1 87 . 1 1 10 10 ILE HG23 H 1 0.849 0.003 . . . . . . 859 ILE QG2 . 15670 1 88 . 1 1 10 10 ILE CA C 13 60.718 0.021 . 1 . . . . 859 ILE CA . 15670 1 89 . 1 1 10 10 ILE CB C 13 39.609 0.045 . 1 . . . . 859 ILE CB . 15670 1 90 . 1 1 10 10 ILE CD1 C 13 13.171 0.057 . 1 . . . . 859 ILE CD1 . 15670 1 91 . 1 1 10 10 ILE CG1 C 13 27.280 0.041 . 1 . . . . 859 ILE CG1 . 15670 1 92 . 1 1 10 10 ILE CG2 C 13 17.669 0.019 . 1 . . . . 859 ILE CG2 . 15670 1 93 . 1 1 10 10 ILE N N 15 124.941 0.023 . 1 . . . . 859 ILE N . 15670 1 94 . 1 1 11 11 ARG H H 1 8.227 0.001 . 1 . . . . 860 ARG H . 15670 1 95 . 1 1 11 11 ARG HA H 1 4.964 0.006 . 1 . . . . 860 ARG HA . 15670 1 96 . 1 1 11 11 ARG HB2 H 1 1.590 0.002 . 2 . . . . 860 ARG QB . 15670 1 97 . 1 1 11 11 ARG HB3 H 1 1.590 0.002 . 2 . . . . 860 ARG QB . 15670 1 98 . 1 1 11 11 ARG HD2 H 1 3.012 0.002 . 2 . . . . 860 ARG QD . 15670 1 99 . 1 1 11 11 ARG HD3 H 1 3.012 0.002 . 2 . . . . 860 ARG QD . 15670 1 100 . 1 1 11 11 ARG HG2 H 1 1.453 0.003 . 2 . . . . 860 ARG HG2 . 15670 1 101 . 1 1 11 11 ARG HG3 H 1 1.370 0.006 . 2 . . . . 860 ARG HG3 . 15670 1 102 . 1 1 11 11 ARG CA C 13 54.539 0.000 . 1 . . . . 860 ARG CA . 15670 1 103 . 1 1 11 11 ARG CB C 13 32.782 0.015 . 1 . . . . 860 ARG CB . 15670 1 104 . 1 1 11 11 ARG CD C 13 43.278 0.007 . 1 . . . . 860 ARG CD . 15670 1 105 . 1 1 11 11 ARG CG C 13 27.716 0.022 . 1 . . . . 860 ARG CG . 15670 1 106 . 1 1 11 11 ARG N N 15 123.643 0.011 . 1 . . . . 860 ARG N . 15670 1 107 . 1 1 12 12 ASP H H 1 8.452 0.003 . 1 . . . . 861 ASP H . 15670 1 108 . 1 1 12 12 ASP HA H 1 4.584 0.002 . 1 . . . . 861 ASP HA . 15670 1 109 . 1 1 12 12 ASP HB2 H 1 2.685 0.003 . 2 . . . . 861 ASP HB2 . 15670 1 110 . 1 1 12 12 ASP HB3 H 1 3.164 0.003 . 2 . . . . 861 ASP HB3 . 15670 1 111 . 1 1 12 12 ASP CA C 13 53.070 0.019 . 1 . . . . 861 ASP CA . 15670 1 112 . 1 1 12 12 ASP CB C 13 41.459 0.051 . 1 . . . . 861 ASP CB . 15670 1 113 . 1 1 12 12 ASP N N 15 122.054 0.034 . 1 . . . . 861 ASP N . 15670 1 114 . 1 1 13 13 GLU H H 1 8.793 0.001 . 1 . . . . 862 GLU H . 15670 1 115 . 1 1 13 13 GLU HA H 1 3.967 0.002 . 1 . . . . 862 GLU HA . 15670 1 116 . 1 1 13 13 GLU HB2 H 1 1.561 0.003 . 2 . . . . 862 GLU HB2 . 15670 1 117 . 1 1 13 13 GLU HB3 H 1 1.473 0.002 . 2 . . . . 862 GLU HB3 . 15670 1 118 . 1 1 13 13 GLU HG2 H 1 1.357 0.003 . 2 . . . . 862 GLU QG . 15670 1 119 . 1 1 13 13 GLU HG3 H 1 1.357 0.003 . 2 . . . . 862 GLU QG . 15670 1 120 . 1 1 13 13 GLU CA C 13 57.936 0.035 . 1 . . . . 862 GLU CA . 15670 1 121 . 1 1 13 13 GLU CB C 13 28.938 0.035 . 1 . . . . 862 GLU CB . 15670 1 122 . 1 1 13 13 GLU CG C 13 35.102 0.023 . 1 . . . . 862 GLU CG . 15670 1 123 . 1 1 13 13 GLU N N 15 118.062 0.009 . 1 . . . . 862 GLU N . 15670 1 124 . 1 1 14 14 TRP H H 1 7.985 0.002 . 1 . . . . 863 TRP H . 15670 1 125 . 1 1 14 14 TRP HA H 1 4.712 0.003 . 1 . . . . 863 TRP HA . 15670 1 126 . 1 1 14 14 TRP HB2 H 1 3.168 0.003 . 2 . . . . 863 TRP HB2 . 15670 1 127 . 1 1 14 14 TRP HB3 H 1 3.503 0.002 . 2 . . . . 863 TRP HB3 . 15670 1 128 . 1 1 14 14 TRP HD1 H 1 7.231 0.004 . 1 . . . . 863 TRP HD1 . 15670 1 129 . 1 1 14 14 TRP HE1 H 1 10.015 0.003 . 1 . . . . 863 TRP HE1 . 15670 1 130 . 1 1 14 14 TRP HE3 H 1 7.641 0.002 . 1 . . . . 863 TRP HE3 . 15670 1 131 . 1 1 14 14 TRP HH2 H 1 7.188 0.005 . 1 . . . . 863 TRP HH2 . 15670 1 132 . 1 1 14 14 TRP HZ2 H 1 7.432 0.004 . 1 . . . . 863 TRP HZ2 . 15670 1 133 . 1 1 14 14 TRP HZ3 H 1 7.139 0.003 . 1 . . . . 863 TRP HZ3 . 15670 1 134 . 1 1 14 14 TRP CA C 13 57.056 0.024 . 1 . . . . 863 TRP CA . 15670 1 135 . 1 1 14 14 TRP CB C 13 29.179 0.038 . 1 . . . . 863 TRP CB . 15670 1 136 . 1 1 14 14 TRP CD1 C 13 127.077 0.095 . 1 . . . . 863 TRP CD1 . 15670 1 137 . 1 1 14 14 TRP CE3 C 13 120.769 0.001 . 1 . . . . 863 TRP CE3 . 15670 1 138 . 1 1 14 14 TRP CH2 C 13 124.738 0.011 . 1 . . . . 863 TRP CH2 . 15670 1 139 . 1 1 14 14 TRP CZ2 C 13 114.865 0.015 . 1 . . . . 863 TRP CZ2 . 15670 1 140 . 1 1 14 14 TRP CZ3 C 13 122.204 0.000 . 1 . . . . 863 TRP CZ3 . 15670 1 141 . 1 1 14 14 TRP N N 15 120.618 0.020 . 1 . . . . 863 TRP N . 15670 1 142 . 1 1 14 14 TRP NE1 N 15 129.147 0.009 . 1 . . . . 863 TRP NE1 . 15670 1 143 . 1 1 15 15 GLY H H 1 8.096 0.002 . 1 . . . . 864 GLY H . 15670 1 144 . 1 1 15 15 GLY HA2 H 1 4.220 0.002 . 2 . . . . 864 GLY HA2 . 15670 1 145 . 1 1 15 15 GLY HA3 H 1 3.652 0.002 . 2 . . . . 864 GLY HA3 . 15670 1 146 . 1 1 15 15 GLY CA C 13 45.396 0.010 . 1 . . . . 864 GLY CA . 15670 1 147 . 1 1 15 15 GLY N N 15 108.151 0.012 . 1 . . . . 864 GLY N . 15670 1 148 . 1 1 16 16 ASN H H 1 8.693 0.002 . 1 . . . . 865 ASN H . 15670 1 149 . 1 1 16 16 ASN HA H 1 4.684 0.002 . 1 . . . . 865 ASN HA . 15670 1 150 . 1 1 16 16 ASN HB2 H 1 2.909 0.003 . 2 . . . . 865 ASN HB2 . 15670 1 151 . 1 1 16 16 ASN HB3 H 1 2.651 0.003 . 2 . . . . 865 ASN HB3 . 15670 1 152 . 1 1 16 16 ASN HD21 H 1 7.161 0.002 . 2 . . . . 865 ASN HD21 . 15670 1 153 . 1 1 16 16 ASN HD22 H 1 8.583 0.004 . 2 . . . . 865 ASN HD22 . 15670 1 154 . 1 1 16 16 ASN CA C 13 53.250 0.037 . 1 . . . . 865 ASN CA . 15670 1 155 . 1 1 16 16 ASN CB C 13 38.791 0.037 . 1 . . . . 865 ASN CB . 15670 1 156 . 1 1 16 16 ASN N N 15 120.811 0.015 . 1 . . . . 865 ASN N . 15670 1 157 . 1 1 16 16 ASN ND2 N 15 117.661 0.037 . 1 . . . . 865 ASN ND2 . 15670 1 158 . 1 1 17 17 GLN H H 1 8.574 0.002 . 1 . . . . 866 GLN H . 15670 1 159 . 1 1 17 17 GLN HA H 1 4.412 0.003 . 1 . . . . 866 GLN HA . 15670 1 160 . 1 1 17 17 GLN HB2 H 1 1.637 0.003 . 2 . . . . 866 GLN HB2 . 15670 1 161 . 1 1 17 17 GLN HB3 H 1 1.718 0.002 . 2 . . . . 866 GLN HB3 . 15670 1 162 . 1 1 17 17 GLN HE21 H 1 6.835 0.002 . 2 . . . . 866 GLN HE21 . 15670 1 163 . 1 1 17 17 GLN HE22 H 1 7.255 0.001 . 2 . . . . 866 GLN HE22 . 15670 1 164 . 1 1 17 17 GLN HG2 H 1 2.126 0.005 . 2 . . . . 866 GLN HG2 . 15670 1 165 . 1 1 17 17 GLN HG3 H 1 1.850 0.003 . 2 . . . . 866 GLN HG3 . 15670 1 166 . 1 1 17 17 GLN CA C 13 55.989 0.011 . 1 . . . . 866 GLN CA . 15670 1 167 . 1 1 17 17 GLN CB C 13 29.549 0.044 . 1 . . . . 866 GLN CB . 15670 1 168 . 1 1 17 17 GLN CG C 13 34.121 0.042 . 1 . . . . 866 GLN CG . 15670 1 169 . 1 1 17 17 GLN N N 15 121.338 0.026 . 1 . . . . 866 GLN N . 15670 1 170 . 1 1 17 17 GLN NE2 N 15 111.881 0.025 . 1 . . . . 866 GLN NE2 . 15670 1 171 . 1 1 18 18 ILE H H 1 8.342 0.005 . 1 . . . . 867 ILE H . 15670 1 172 . 1 1 18 18 ILE HA H 1 4.213 0.003 . 1 . . . . 867 ILE HA . 15670 1 173 . 1 1 18 18 ILE HB H 1 1.706 0.004 . 1 . . . . 867 ILE HB . 15670 1 174 . 1 1 18 18 ILE HD11 H 1 0.787 0.005 . . . . . . 867 ILE QD1 . 15670 1 175 . 1 1 18 18 ILE HD12 H 1 0.787 0.005 . . . . . . 867 ILE QD1 . 15670 1 176 . 1 1 18 18 ILE HD13 H 1 0.787 0.005 . . . . . . 867 ILE QD1 . 15670 1 177 . 1 1 18 18 ILE HG12 H 1 1.344 0.004 . 2 . . . . 867 ILE HG12 . 15670 1 178 . 1 1 18 18 ILE HG13 H 1 1.029 0.003 . 2 . . . . 867 ILE HG13 . 15670 1 179 . 1 1 18 18 ILE HG21 H 1 0.910 0.003 . . . . . . 867 ILE QG2 . 15670 1 180 . 1 1 18 18 ILE HG22 H 1 0.910 0.003 . . . . . . 867 ILE QG2 . 15670 1 181 . 1 1 18 18 ILE HG23 H 1 0.910 0.003 . . . . . . 867 ILE QG2 . 15670 1 182 . 1 1 18 18 ILE CA C 13 60.038 0.032 . 1 . . . . 867 ILE CA . 15670 1 183 . 1 1 18 18 ILE CB C 13 40.045 0.031 . 1 . . . . 867 ILE CB . 15670 1 184 . 1 1 18 18 ILE CD1 C 13 13.317 0.016 . 1 . . . . 867 ILE CD1 . 15670 1 185 . 1 1 18 18 ILE CG1 C 13 27.014 0.030 . 1 . . . . 867 ILE CG1 . 15670 1 186 . 1 1 18 18 ILE CG2 C 13 17.782 0.044 . 1 . . . . 867 ILE CG2 . 15670 1 187 . 1 1 18 18 ILE N N 15 124.393 0.030 . 1 . . . . 867 ILE N . 15670 1 188 . 1 1 19 19 TRP H H 1 8.295 0.003 . 1 . . . . 868 TRP H . 15670 1 189 . 1 1 19 19 TRP HA H 1 4.797 0.006 . 1 . . . . 868 TRP HA . 15670 1 190 . 1 1 19 19 TRP HB2 H 1 2.914 0.003 . 2 . . . . 868 TRP HB2 . 15670 1 191 . 1 1 19 19 TRP HB3 H 1 3.233 0.005 . 2 . . . . 868 TRP HB3 . 15670 1 192 . 1 1 19 19 TRP HD1 H 1 6.998 0.004 . 1 . . . . 868 TRP HD1 . 15670 1 193 . 1 1 19 19 TRP HE1 H 1 9.422 0.004 . 1 . . . . 868 TRP HE1 . 15670 1 194 . 1 1 19 19 TRP HE3 H 1 7.575 0.005 . 1 . . . . 868 TRP HE3 . 15670 1 195 . 1 1 19 19 TRP HH2 H 1 6.795 0.004 . 1 . . . . 868 TRP HH2 . 15670 1 196 . 1 1 19 19 TRP HZ2 H 1 7.094 0.004 . 1 . . . . 868 TRP HZ2 . 15670 1 197 . 1 1 19 19 TRP HZ3 H 1 6.816 0.003 . 1 . . . . 868 TRP HZ3 . 15670 1 198 . 1 1 19 19 TRP CA C 13 57.586 0.000 . 1 . . . . 868 TRP CA . 15670 1 199 . 1 1 19 19 TRP CB C 13 30.728 0.061 . 1 . . . . 868 TRP CB . 15670 1 200 . 1 1 19 19 TRP CD1 C 13 127.072 0.012 . 1 . . . . 868 TRP CD1 . 15670 1 201 . 1 1 19 19 TRP CE3 C 13 121.319 0.000 . 1 . . . . 868 TRP CE3 . 15670 1 202 . 1 1 19 19 TRP CH2 C 13 123.804 0.040 . 1 . . . . 868 TRP CH2 . 15670 1 203 . 1 1 19 19 TRP CZ2 C 13 113.950 0.025 . 1 . . . . 868 TRP CZ2 . 15670 1 204 . 1 1 19 19 TRP CZ3 C 13 121.320 0.000 . 1 . . . . 868 TRP CZ3 . 15670 1 205 . 1 1 19 19 TRP N N 15 126.039 0.014 . 1 . . . . 868 TRP N . 15670 1 206 . 1 1 19 19 TRP NE1 N 15 128.518 0.003 . 1 . . . . 868 TRP NE1 . 15670 1 207 . 1 1 20 20 ILE H H 1 8.144 0.003 . 1 . . . . 869 ILE H . 15670 1 208 . 1 1 20 20 ILE HA H 1 3.996 0.004 . 1 . . . . 869 ILE HA . 15670 1 209 . 1 1 20 20 ILE HB H 1 1.670 0.004 . 1 . . . . 869 ILE HB . 15670 1 210 . 1 1 20 20 ILE HD11 H 1 0.651 0.003 . . . . . . 869 ILE QD1 . 15670 1 211 . 1 1 20 20 ILE HD12 H 1 0.651 0.003 . . . . . . 869 ILE QD1 . 15670 1 212 . 1 1 20 20 ILE HD13 H 1 0.651 0.003 . . . . . . 869 ILE QD1 . 15670 1 213 . 1 1 20 20 ILE HG12 H 1 1.354 0.002 . 2 . . . . 869 ILE HG12 . 15670 1 214 . 1 1 20 20 ILE HG13 H 1 1.057 0.003 . 2 . . . . 869 ILE HG13 . 15670 1 215 . 1 1 20 20 ILE HG21 H 1 0.557 0.003 . . . . . . 869 ILE QG2 . 15670 1 216 . 1 1 20 20 ILE HG22 H 1 0.557 0.003 . . . . . . 869 ILE QG2 . 15670 1 217 . 1 1 20 20 ILE HG23 H 1 0.557 0.003 . . . . . . 869 ILE QG2 . 15670 1 218 . 1 1 20 20 ILE CA C 13 58.838 0.011 . 1 . . . . 869 ILE CA . 15670 1 219 . 1 1 20 20 ILE CB C 13 38.780 0.037 . 1 . . . . 869 ILE CB . 15670 1 220 . 1 1 20 20 ILE CD1 C 13 11.521 0.018 . 1 . . . . 869 ILE CD1 . 15670 1 221 . 1 1 20 20 ILE CG1 C 13 26.861 0.018 . 1 . . . . 869 ILE CG1 . 15670 1 222 . 1 1 20 20 ILE CG2 C 13 17.150 0.026 . 1 . . . . 869 ILE CG2 . 15670 1 223 . 1 1 20 20 ILE N N 15 121.513 0.011 . 1 . . . . 869 ILE N . 15670 1 224 . 1 1 21 21 CYS H H 1 7.899 0.002 . . . . . . 870 CYS H . 15670 1 225 . 1 1 21 21 CYS HA H 1 5.146 0.003 . . . . . . 870 CYS HA . 15670 1 226 . 1 1 21 21 CYS HB2 H 1 2.115 0.004 . . . . . . 870 CYS HB2 . 15670 1 227 . 1 1 21 21 CYS HB3 H 1 3.582 0.003 . . . . . . 870 CYS HB3 . 15670 1 228 . 1 1 21 21 CYS CA C 13 55.850 0.000 . . . . . . 870 CYS CA . 15670 1 229 . 1 1 21 21 CYS CB C 13 32.628 0.037 . . . . . . 870 CYS CB . 15670 1 230 . 1 1 21 21 CYS N N 15 131.302 0.019 . . . . . . 870 CYS N . 15670 1 231 . 1 1 22 22 PRO HA H 1 4.337 0.003 . 1 . . . . 871 PRO HA . 15670 1 232 . 1 1 22 22 PRO HB2 H 1 2.215 0.003 . 2 . . . . 871 PRO HB2 . 15670 1 233 . 1 1 22 22 PRO HB3 H 1 1.768 0.004 . 2 . . . . 871 PRO HB3 . 15670 1 234 . 1 1 22 22 PRO HD2 H 1 1.718 0.008 . 2 . . . . 871 PRO HD2 . 15670 1 235 . 1 1 22 22 PRO HD3 H 1 4.399 0.004 . 2 . . . . 871 PRO HD3 . 15670 1 236 . 1 1 22 22 PRO HG2 H 1 1.440 0.007 . 2 . . . . 871 PRO HG2 . 15670 1 237 . 1 1 22 22 PRO HG3 H 1 1.542 0.002 . 2 . . . . 871 PRO HG3 . 15670 1 238 . 1 1 22 22 PRO CA C 13 63.205 0.040 . 1 . . . . 871 PRO CA . 15670 1 239 . 1 1 22 22 PRO CB C 13 31.958 0.029 . 1 . . . . 871 PRO CB . 15670 1 240 . 1 1 22 22 PRO CD C 13 50.959 0.033 . 1 . . . . 871 PRO CD . 15670 1 241 . 1 1 22 22 PRO CG C 13 27.820 0.026 . 1 . . . . 871 PRO CG . 15670 1 242 . 1 1 23 23 GLY H H 1 8.863 0.002 . 1 . . . . 872 GLY H . 15670 1 243 . 1 1 23 23 GLY HA2 H 1 4.262 0.002 . 2 . . . . 872 GLY HA2 . 15670 1 244 . 1 1 23 23 GLY HA3 H 1 3.895 0.002 . 2 . . . . 872 GLY HA3 . 15670 1 245 . 1 1 23 23 GLY CA C 13 46.313 0.041 . 1 . . . . 872 GLY CA . 15670 1 246 . 1 1 23 23 GLY N N 15 108.266 0.014 . 1 . . . . 872 GLY N . 15670 1 247 . 1 1 24 24 CYS H H 1 7.693 0.003 . . . . . . 873 CYS H . 15670 1 248 . 1 1 24 24 CYS HA H 1 5.053 0.002 . . . . . . 873 CYS HA . 15670 1 249 . 1 1 24 24 CYS HB2 H 1 3.178 0.003 . . . . . . 873 CYS HB2 . 15670 1 250 . 1 1 24 24 CYS HB3 H 1 3.247 0.002 . . . . . . 873 CYS HB3 . 15670 1 251 . 1 1 24 24 CYS CA C 13 57.484 0.000 . . . . . . 873 CYS CA . 15670 1 252 . 1 1 24 24 CYS CB C 13 32.338 0.036 . . . . . . 873 CYS CB . 15670 1 253 . 1 1 24 24 CYS N N 15 116.976 0.035 . . . . . . 873 CYS N . 15670 1 254 . 1 1 25 25 ASN H H 1 8.905 0.002 . 1 . . . . 874 ASN H . 15670 1 255 . 1 1 25 25 ASN HA H 1 4.409 0.002 . 1 . . . . 874 ASN HA . 15670 1 256 . 1 1 25 25 ASN HB2 H 1 2.877 0.004 . 2 . . . . 874 ASN HB2 . 15670 1 257 . 1 1 25 25 ASN HB3 H 1 3.141 0.005 . 2 . . . . 874 ASN HB3 . 15670 1 258 . 1 1 25 25 ASN HD21 H 1 6.758 0.002 . 2 . . . . 874 ASN HD21 . 15670 1 259 . 1 1 25 25 ASN HD22 H 1 7.476 0.002 . 2 . . . . 874 ASN HD22 . 15670 1 260 . 1 1 25 25 ASN CA C 13 55.309 0.024 . 1 . . . . 874 ASN CA . 15670 1 261 . 1 1 25 25 ASN CB C 13 37.960 0.007 . 1 . . . . 874 ASN CB . 15670 1 262 . 1 1 25 25 ASN N N 15 120.564 0.029 . 1 . . . . 874 ASN N . 15670 1 263 . 1 1 25 25 ASN ND2 N 15 112.116 0.037 . 1 . . . . 874 ASN ND2 . 15670 1 264 . 1 1 26 26 LYS H H 1 8.486 0.002 . 1 . . . . 875 LYS H . 15670 1 265 . 1 1 26 26 LYS HA H 1 4.995 0.003 . 1 . . . . 875 LYS HA . 15670 1 266 . 1 1 26 26 LYS HB2 H 1 2.385 0.004 . 2 . . . . 875 LYS HB2 . 15670 1 267 . 1 1 26 26 LYS HB3 H 1 2.099 0.003 . 2 . . . . 875 LYS HB3 . 15670 1 268 . 1 1 26 26 LYS HD2 H 1 1.741 0.005 . 2 . . . . 875 LYS QD . 15670 1 269 . 1 1 26 26 LYS HD3 H 1 1.741 0.005 . 2 . . . . 875 LYS QD . 15670 1 270 . 1 1 26 26 LYS HE2 H 1 3.064 0.003 . 2 . . . . 875 LYS QE . 15670 1 271 . 1 1 26 26 LYS HE3 H 1 3.064 0.003 . 2 . . . . 875 LYS QE . 15670 1 272 . 1 1 26 26 LYS HG2 H 1 1.471 0.004 . 2 . . . . 875 LYS HG2 . 15670 1 273 . 1 1 26 26 LYS HG3 H 1 1.649 0.004 . 2 . . . . 875 LYS HG3 . 15670 1 274 . 1 1 26 26 LYS CA C 13 54.075 0.000 . 1 . . . . 875 LYS CA . 15670 1 275 . 1 1 26 26 LYS CB C 13 33.194 0.069 . 1 . . . . 875 LYS CB . 15670 1 276 . 1 1 26 26 LYS CD C 13 29.001 0.057 . 1 . . . . 875 LYS CD . 15670 1 277 . 1 1 26 26 LYS CE C 13 42.380 0.022 . 1 . . . . 875 LYS CE . 15670 1 278 . 1 1 26 26 LYS CG C 13 25.052 0.039 . 1 . . . . 875 LYS CG . 15670 1 279 . 1 1 26 26 LYS N N 15 119.459 0.036 . 1 . . . . 875 LYS N . 15670 1 280 . 1 1 27 27 PRO HA H 1 5.131 0.004 . 1 . . . . 876 PRO HA . 15670 1 281 . 1 1 27 27 PRO HB2 H 1 2.163 0.002 . 2 . . . . 876 PRO HB2 . 15670 1 282 . 1 1 27 27 PRO HB3 H 1 2.112 0.003 . 2 . . . . 876 PRO HB3 . 15670 1 283 . 1 1 27 27 PRO HD2 H 1 3.770 0.004 . 2 . . . . 876 PRO HD2 . 15670 1 284 . 1 1 27 27 PRO HD3 H 1 3.732 0.006 . 2 . . . . 876 PRO HD3 . 15670 1 285 . 1 1 27 27 PRO HG2 H 1 1.923 0.003 . 2 . . . . 876 PRO HG2 . 15670 1 286 . 1 1 27 27 PRO HG3 H 1 1.976 0.000 . 2 . . . . 876 PRO HG3 . 15670 1 287 . 1 1 27 27 PRO CA C 13 61.993 0.016 . 1 . . . . 876 PRO CA . 15670 1 288 . 1 1 27 27 PRO CB C 13 33.632 0.053 . 1 . . . . 876 PRO CB . 15670 1 289 . 1 1 27 27 PRO CD C 13 50.711 0.030 . 1 . . . . 876 PRO CD . 15670 1 290 . 1 1 27 27 PRO CG C 13 27.052 0.019 . 1 . . . . 876 PRO CG . 15670 1 291 . 1 1 28 28 ASP H H 1 8.298 0.006 . 1 . . . . 877 ASP H . 15670 1 292 . 1 1 28 28 ASP HA H 1 4.626 0.001 . 1 . . . . 877 ASP HA . 15670 1 293 . 1 1 28 28 ASP HB2 H 1 2.844 0.003 . 2 . . . . 877 ASP QB . 15670 1 294 . 1 1 28 28 ASP HB3 H 1 2.844 0.003 . 2 . . . . 877 ASP QB . 15670 1 295 . 1 1 28 28 ASP CA C 13 55.416 0.072 . 1 . . . . 877 ASP CA . 15670 1 296 . 1 1 28 28 ASP CB C 13 42.502 0.008 . 1 . . . . 877 ASP CB . 15670 1 297 . 1 1 28 28 ASP N N 15 120.207 0.025 . 1 . . . . 877 ASP N . 15670 1 298 . 1 1 29 29 ASP H H 1 9.343 0.003 . 1 . . . . 878 ASP H . 15670 1 299 . 1 1 29 29 ASP HA H 1 4.800 0.004 . 1 . . . . 878 ASP HA . 15670 1 300 . 1 1 29 29 ASP HB2 H 1 3.099 0.004 . 2 . . . . 878 ASP HB2 . 15670 1 301 . 1 1 29 29 ASP HB3 H 1 2.628 0.002 . 2 . . . . 878 ASP HB3 . 15670 1 302 . 1 1 29 29 ASP CA C 13 52.727 0.000 . 1 . . . . 878 ASP CA . 15670 1 303 . 1 1 29 29 ASP CB C 13 41.327 0.040 . 1 . . . . 878 ASP CB . 15670 1 304 . 1 1 29 29 ASP N N 15 128.639 0.017 . 1 . . . . 878 ASP N . 15670 1 305 . 1 1 30 30 GLY H H 1 8.782 0.003 . 1 . . . . 879 GLY H . 15670 1 306 . 1 1 30 30 GLY HA2 H 1 4.387 0.002 . 2 . . . . 879 GLY HA2 . 15670 1 307 . 1 1 30 30 GLY HA3 H 1 3.708 0.002 . 2 . . . . 879 GLY HA3 . 15670 1 308 . 1 1 30 30 GLY CA C 13 45.273 0.053 . 1 . . . . 879 GLY CA . 15670 1 309 . 1 1 30 30 GLY N N 15 110.555 0.016 . 1 . . . . 879 GLY N . 15670 1 310 . 1 1 31 31 SER H H 1 8.363 0.002 . 1 . . . . 880 SER H . 15670 1 311 . 1 1 31 31 SER HA H 1 4.626 0.002 . 1 . . . . 880 SER HA . 15670 1 312 . 1 1 31 31 SER HB2 H 1 3.929 0.003 . 2 . . . . 880 SER HB2 . 15670 1 313 . 1 1 31 31 SER HB3 H 1 4.039 0.002 . 2 . . . . 880 SER HB3 . 15670 1 314 . 1 1 31 31 SER CA C 13 57.886 0.017 . 1 . . . . 880 SER CA . 15670 1 315 . 1 1 31 31 SER CB C 13 61.763 0.020 . 1 . . . . 880 SER CB . 15670 1 316 . 1 1 31 31 SER N N 15 119.302 0.016 . 1 . . . . 880 SER N . 15670 1 317 . 1 1 32 32 PRO HA H 1 3.912 0.003 . 1 . . . . 881 PRO HA . 15670 1 318 . 1 1 32 32 PRO HB2 H 1 0.816 0.002 . 2 . . . . 881 PRO HB2 . 15670 1 319 . 1 1 32 32 PRO HB3 H 1 -0.211 0.003 . 2 . . . . 881 PRO HB3 . 15670 1 320 . 1 1 32 32 PRO HD2 H 1 3.582 0.003 . 2 . . . . 881 PRO HD2 . 15670 1 321 . 1 1 32 32 PRO HD3 H 1 3.324 0.004 . 2 . . . . 881 PRO HD3 . 15670 1 322 . 1 1 32 32 PRO HG2 H 1 1.102 0.003 . 2 . . . . 881 PRO HG2 . 15670 1 323 . 1 1 32 32 PRO HG3 H 1 1.319 0.003 . 2 . . . . 881 PRO HG3 . 15670 1 324 . 1 1 32 32 PRO CA C 13 64.883 0.028 . 1 . . . . 881 PRO CA . 15670 1 325 . 1 1 32 32 PRO CB C 13 30.773 0.022 . 1 . . . . 881 PRO CB . 15670 1 326 . 1 1 32 32 PRO CD C 13 50.187 0.029 . 1 . . . . 881 PRO CD . 15670 1 327 . 1 1 32 32 PRO CG C 13 27.692 0.018 . 1 . . . . 881 PRO CG . 15670 1 328 . 1 1 33 33 MET H H 1 8.125 0.004 . 1 . . . . 882 MET H . 15670 1 329 . 1 1 33 33 MET HA H 1 5.373 0.005 . 1 . . . . 882 MET HA . 15670 1 330 . 1 1 33 33 MET HB2 H 1 2.136 0.003 . 2 . . . . 882 MET HB2 . 15670 1 331 . 1 1 33 33 MET HB3 H 1 1.960 0.005 . 2 . . . . 882 MET HB3 . 15670 1 332 . 1 1 33 33 MET HE1 H 1 1.348 0.004 . . . . . . 882 MET QE . 15670 1 333 . 1 1 33 33 MET HE2 H 1 1.348 0.004 . . . . . . 882 MET QE . 15670 1 334 . 1 1 33 33 MET HE3 H 1 1.348 0.004 . . . . . . 882 MET QE . 15670 1 335 . 1 1 33 33 MET HG2 H 1 2.028 0.002 . 2 . . . . 882 MET HG2 . 15670 1 336 . 1 1 33 33 MET HG3 H 1 2.777 0.005 . 2 . . . . 882 MET HG3 . 15670 1 337 . 1 1 33 33 MET CA C 13 54.339 0.041 . 1 . . . . 882 MET CA . 15670 1 338 . 1 1 33 33 MET CB C 13 39.490 0.034 . 1 . . . . 882 MET CB . 15670 1 339 . 1 1 33 33 MET CE C 13 17.179 0.031 . 1 . . . . 882 MET CE . 15670 1 340 . 1 1 33 33 MET CG C 13 33.795 0.012 . 1 . . . . 882 MET CG . 15670 1 341 . 1 1 33 33 MET N N 15 120.117 0.008 . 1 . . . . 882 MET N . 15670 1 342 . 1 1 34 34 ILE H H 1 9.555 0.003 . 1 . . . . 883 ILE H . 15670 1 343 . 1 1 34 34 ILE HA H 1 4.510 0.005 . 1 . . . . 883 ILE HA . 15670 1 344 . 1 1 34 34 ILE HB H 1 1.241 0.003 . 1 . . . . 883 ILE HB . 15670 1 345 . 1 1 34 34 ILE HD11 H 1 -0.036 0.003 . . . . . . 883 ILE QD1 . 15670 1 346 . 1 1 34 34 ILE HD12 H 1 -0.036 0.003 . . . . . . 883 ILE QD1 . 15670 1 347 . 1 1 34 34 ILE HD13 H 1 -0.036 0.003 . . . . . . 883 ILE QD1 . 15670 1 348 . 1 1 34 34 ILE HG12 H 1 1.207 0.005 . 2 . . . . 883 ILE HG12 . 15670 1 349 . 1 1 34 34 ILE HG13 H 1 0.410 0.002 . 2 . . . . 883 ILE HG13 . 15670 1 350 . 1 1 34 34 ILE HG21 H 1 -0.206 0.002 . . . . . . 883 ILE QG2 . 15670 1 351 . 1 1 34 34 ILE HG22 H 1 -0.206 0.002 . . . . . . 883 ILE QG2 . 15670 1 352 . 1 1 34 34 ILE HG23 H 1 -0.206 0.002 . . . . . . 883 ILE QG2 . 15670 1 353 . 1 1 34 34 ILE CA C 13 59.407 0.021 . 1 . . . . 883 ILE CA . 15670 1 354 . 1 1 34 34 ILE CB C 13 43.067 0.013 . 1 . . . . 883 ILE CB . 15670 1 355 . 1 1 34 34 ILE CD1 C 13 14.650 0.024 . 1 . . . . 883 ILE CD1 . 15670 1 356 . 1 1 34 34 ILE CG1 C 13 28.803 0.026 . 1 . . . . 883 ILE CG1 . 15670 1 357 . 1 1 34 34 ILE CG2 C 13 13.016 0.021 . 1 . . . . 883 ILE CG2 . 15670 1 358 . 1 1 34 34 ILE N N 15 122.573 0.029 . 1 . . . . 883 ILE N . 15670 1 359 . 1 1 35 35 GLY H H 1 7.538 0.003 . 1 . . . . 884 GLY H . 15670 1 360 . 1 1 35 35 GLY HA2 H 1 3.730 0.002 . 2 . . . . 884 GLY HA2 . 15670 1 361 . 1 1 35 35 GLY HA3 H 1 1.295 0.002 . 2 . . . . 884 GLY HA3 . 15670 1 362 . 1 1 35 35 GLY CA C 13 42.560 0.031 . 1 . . . . 884 GLY CA . 15670 1 363 . 1 1 35 35 GLY N N 15 115.864 0.032 . 1 . . . . 884 GLY N . 15670 1 364 . 1 1 36 36 CYS H H 1 8.418 0.003 . . . . . . 885 CYS H . 15670 1 365 . 1 1 36 36 CYS HA H 1 4.492 0.004 . . . . . . 885 CYS HA . 15670 1 366 . 1 1 36 36 CYS HB2 H 1 3.423 0.005 . . . . . . 885 CYS HB2 . 15670 1 367 . 1 1 36 36 CYS HB3 H 1 2.734 0.003 . . . . . . 885 CYS HB3 . 15670 1 368 . 1 1 36 36 CYS CA C 13 60.173 0.044 . . . . . . 885 CYS CA . 15670 1 369 . 1 1 36 36 CYS CB C 13 31.692 0.059 . . . . . . 885 CYS CB . 15670 1 370 . 1 1 37 37 ASP H H 1 9.003 0.003 . 1 . . . . 886 ASP H . 15670 1 371 . 1 1 37 37 ASP HA H 1 4.668 0.003 . 1 . . . . 886 ASP HA . 15670 1 372 . 1 1 37 37 ASP HB2 H 1 2.104 0.003 . 2 . . . . 886 ASP HB2 . 15670 1 373 . 1 1 37 37 ASP HB3 H 1 2.566 0.003 . 2 . . . . 886 ASP HB3 . 15670 1 374 . 1 1 37 37 ASP CA C 13 57.310 0.022 . 1 . . . . 886 ASP CA . 15670 1 375 . 1 1 37 37 ASP CB C 13 41.929 0.017 . 1 . . . . 886 ASP CB . 15670 1 376 . 1 1 37 37 ASP N N 15 128.670 0.012 . 1 . . . . 886 ASP N . 15670 1 377 . 1 1 38 38 ASP H H 1 9.607 0.004 . 1 . . . . 887 ASP H . 15670 1 378 . 1 1 38 38 ASP HA H 1 5.105 0.006 . 1 . . . . 887 ASP HA . 15670 1 379 . 1 1 38 38 ASP HB2 H 1 2.557 0.002 . 2 . . . . 887 ASP HB2 . 15670 1 380 . 1 1 38 38 ASP HB3 H 1 3.593 0.002 . 2 . . . . 887 ASP HB3 . 15670 1 381 . 1 1 38 38 ASP CA C 13 55.829 0.036 . 1 . . . . 887 ASP CA . 15670 1 382 . 1 1 38 38 ASP CB C 13 43.796 0.059 . 1 . . . . 887 ASP CB . 15670 1 383 . 1 1 38 38 ASP N N 15 123.201 0.043 . 1 . . . . 887 ASP N . 15670 1 384 . 1 1 39 39 CYS H H 1 8.151 0.003 . . . . . . 888 CYS H . 15670 1 385 . 1 1 39 39 CYS HA H 1 4.769 0.005 . . . . . . 888 CYS HA . 15670 1 386 . 1 1 39 39 CYS HB2 H 1 3.256 0.003 . . . . . . 888 CYS HB2 . 15670 1 387 . 1 1 39 39 CYS HB3 H 1 2.720 0.002 . . . . . . 888 CYS HB3 . 15670 1 388 . 1 1 39 39 CYS CA C 13 59.711 0.000 . . . . . . 888 CYS CA . 15670 1 389 . 1 1 39 39 CYS CB C 13 31.861 0.018 . . . . . . 888 CYS CB . 15670 1 390 . 1 1 39 39 CYS N N 15 119.601 0.026 . . . . . . 888 CYS N . 15670 1 391 . 1 1 40 40 ASP H H 1 7.840 0.005 . 1 . . . . 889 ASP H . 15670 1 392 . 1 1 40 40 ASP HA H 1 4.748 0.004 . 1 . . . . 889 ASP HA . 15670 1 393 . 1 1 40 40 ASP HB2 H 1 3.199 0.004 . 2 . . . . 889 ASP HB2 . 15670 1 394 . 1 1 40 40 ASP HB3 H 1 2.695 0.001 . 2 . . . . 889 ASP HB3 . 15670 1 395 . 1 1 40 40 ASP CA C 13 55.714 0.000 . 1 . . . . 889 ASP CA . 15670 1 396 . 1 1 40 40 ASP CB C 13 41.565 0.026 . 1 . . . . 889 ASP CB . 15670 1 397 . 1 1 40 40 ASP N N 15 116.936 0.016 . 1 . . . . 889 ASP N . 15670 1 398 . 1 1 41 41 ASP H H 1 8.593 0.002 . 1 . . . . 890 ASP H . 15670 1 399 . 1 1 41 41 ASP HA H 1 5.019 0.005 . 1 . . . . 890 ASP HA . 15670 1 400 . 1 1 41 41 ASP HB2 H 1 2.526 0.003 . 2 . . . . 890 ASP HB2 . 15670 1 401 . 1 1 41 41 ASP HB3 H 1 3.043 0.004 . 2 . . . . 890 ASP HB3 . 15670 1 402 . 1 1 41 41 ASP CA C 13 55.831 0.000 . 1 . . . . 890 ASP CA . 15670 1 403 . 1 1 41 41 ASP CB C 13 42.921 0.055 . 1 . . . . 890 ASP CB . 15670 1 404 . 1 1 41 41 ASP N N 15 121.152 0.019 . 1 . . . . 890 ASP N . 15670 1 405 . 1 1 42 42 TRP H H 1 8.851 0.001 . 1 . . . . 891 TRP H . 15670 1 406 . 1 1 42 42 TRP HA H 1 5.258 0.005 . 1 . . . . 891 TRP HA . 15670 1 407 . 1 1 42 42 TRP HB2 H 1 2.605 0.002 . 2 . . . . 891 TRP HB2 . 15670 1 408 . 1 1 42 42 TRP HB3 H 1 2.439 0.003 . 2 . . . . 891 TRP HB3 . 15670 1 409 . 1 1 42 42 TRP HD1 H 1 6.658 0.013 . 1 . . . . 891 TRP HD1 . 15670 1 410 . 1 1 42 42 TRP HE1 H 1 9.331 0.006 . 1 . . . . 891 TRP HE1 . 15670 1 411 . 1 1 42 42 TRP HE3 H 1 6.884 0.004 . 1 . . . . 891 TRP HE3 . 15670 1 412 . 1 1 42 42 TRP HH2 H 1 7.070 0.003 . 1 . . . . 891 TRP HH2 . 15670 1 413 . 1 1 42 42 TRP HZ2 H 1 7.310 0.002 . 1 . . . . 891 TRP HZ2 . 15670 1 414 . 1 1 42 42 TRP HZ3 H 1 6.853 0.005 . 1 . . . . 891 TRP HZ3 . 15670 1 415 . 1 1 42 42 TRP CA C 13 56.602 0.055 . 1 . . . . 891 TRP CA . 15670 1 416 . 1 1 42 42 TRP CB C 13 31.151 0.051 . 1 . . . . 891 TRP CB . 15670 1 417 . 1 1 42 42 TRP CD1 C 13 127.311 0.005 . 1 . . . . 891 TRP CD1 . 15670 1 418 . 1 1 42 42 TRP CE3 C 13 119.888 0.000 . 1 . . . . 891 TRP CE3 . 15670 1 419 . 1 1 42 42 TRP CH2 C 13 123.296 0.017 . 1 . . . . 891 TRP CH2 . 15670 1 420 . 1 1 42 42 TRP CZ2 C 13 113.902 0.019 . 1 . . . . 891 TRP CZ2 . 15670 1 421 . 1 1 42 42 TRP CZ3 C 13 120.848 0.000 . 1 . . . . 891 TRP CZ3 . 15670 1 422 . 1 1 42 42 TRP N N 15 121.451 0.015 . 1 . . . . 891 TRP N . 15670 1 423 . 1 1 42 42 TRP NE1 N 15 129.544 0.017 . 1 . . . . 891 TRP NE1 . 15670 1 424 . 1 1 43 43 TYR H H 1 9.127 0.003 . 1 . . . . 892 TYR H . 15670 1 425 . 1 1 43 43 TYR HA H 1 5.704 0.005 . 1 . . . . 892 TYR HA . 15670 1 426 . 1 1 43 43 TYR HB2 H 1 2.945 0.003 . 2 . . . . 892 TYR HB2 . 15670 1 427 . 1 1 43 43 TYR HB3 H 1 2.636 0.003 . 2 . . . . 892 TYR HB3 . 15670 1 428 . 1 1 43 43 TYR HD1 H 1 7.099 0.004 . 3 . . . . 892 TYR QD . 15670 1 429 . 1 1 43 43 TYR HD2 H 1 7.099 0.004 . 3 . . . . 892 TYR QD . 15670 1 430 . 1 1 43 43 TYR CA C 13 54.926 0.027 . 1 . . . . 892 TYR CA . 15670 1 431 . 1 1 43 43 TYR CB C 13 43.649 0.031 . 1 . . . . 892 TYR CB . 15670 1 432 . 1 1 43 43 TYR N N 15 116.073 0.016 . 1 . . . . 892 TYR N . 15670 1 433 . 1 1 44 44 HIS H H 1 8.920 0.004 . . . . . . 893 HIS H . 15670 1 434 . 1 1 44 44 HIS HA H 1 4.957 0.007 . . . . . . 893 HIS HA . 15670 1 435 . 1 1 44 44 HIS HB2 H 1 4.338 0.002 . . . . . . 893 HIS HB2 . 15670 1 436 . 1 1 44 44 HIS HB3 H 1 3.689 0.003 . . . . . . 893 HIS HB3 . 15670 1 437 . 1 1 44 44 HIS HD2 H 1 7.555 0.005 . . . . . . 893 HIS HD2 . 15670 1 438 . 1 1 44 44 HIS HE1 H 1 7.560 0.004 . . . . . . 893 HIS HE1 . 15670 1 439 . 1 1 44 44 HIS HE2 H 1 10.705 0.003 . . . . . . 893 HIS HE2 . 15670 1 440 . 1 1 44 44 HIS CA C 13 58.632 0.000 . . . . . . 893 HIS CA . 15670 1 441 . 1 1 44 44 HIS CB C 13 31.391 0.016 . . . . . . 893 HIS CB . 15670 1 442 . 1 1 44 44 HIS CD2 C 13 119.384 0.025 . . . . . . 893 HIS CD2 . 15670 1 443 . 1 1 44 44 HIS CE1 C 13 139.815 0.054 . . . . . . 893 HIS CE1 . 15670 1 444 . 1 1 44 44 HIS N N 15 119.657 0.018 . . . . . . 893 HIS N . 15670 1 445 . 1 1 45 45 TRP H H 1 8.369 0.002 . 1 . . . . 894 TRP H . 15670 1 446 . 1 1 45 45 TRP HA H 1 4.436 0.003 . 1 . . . . 894 TRP HA . 15670 1 447 . 1 1 45 45 TRP HB2 H 1 3.737 0.004 . 2 . . . . 894 TRP HB2 . 15670 1 448 . 1 1 45 45 TRP HB3 H 1 3.265 0.003 . 2 . . . . 894 TRP HB3 . 15670 1 449 . 1 1 45 45 TRP HD1 H 1 6.376 0.003 . 1 . . . . 894 TRP HD1 . 15670 1 450 . 1 1 45 45 TRP HE1 H 1 9.355 0.003 . 1 . . . . 894 TRP HE1 . 15670 1 451 . 1 1 45 45 TRP HE3 H 1 7.318 0.006 . 1 . . . . 894 TRP HE3 . 15670 1 452 . 1 1 45 45 TRP HH2 H 1 7.154 0.004 . 1 . . . . 894 TRP HH2 . 15670 1 453 . 1 1 45 45 TRP HZ2 H 1 7.401 0.003 . 1 . . . . 894 TRP HZ2 . 15670 1 454 . 1 1 45 45 TRP HZ3 H 1 6.925 0.004 . 1 . . . . 894 TRP HZ3 . 15670 1 455 . 1 1 45 45 TRP CA C 13 60.928 0.077 . 1 . . . . 894 TRP CA . 15670 1 456 . 1 1 45 45 TRP CB C 13 25.982 0.070 . 1 . . . . 894 TRP CB . 15670 1 457 . 1 1 45 45 TRP CD1 C 13 120.323 0.058 . 1 . . . . 894 TRP CD1 . 15670 1 458 . 1 1 45 45 TRP CE3 C 13 120.982 0.014 . 1 . . . . 894 TRP CE3 . 15670 1 459 . 1 1 45 45 TRP CH2 C 13 124.775 0.059 . 1 . . . . 894 TRP CH2 . 15670 1 460 . 1 1 45 45 TRP CZ2 C 13 113.788 0.019 . 1 . . . . 894 TRP CZ2 . 15670 1 461 . 1 1 45 45 TRP CZ3 C 13 120.914 0.099 . 1 . . . . 894 TRP CZ3 . 15670 1 462 . 1 1 45 45 TRP N N 15 122.237 0.024 . 1 . . . . 894 TRP N . 15670 1 463 . 1 1 45 45 TRP NE1 N 15 125.577 0.016 . 1 . . . . 894 TRP NE1 . 15670 1 464 . 1 1 46 46 PRO HA H 1 4.518 0.003 . 1 . . . . 895 PRO HA . 15670 1 465 . 1 1 46 46 PRO HB2 H 1 2.075 0.003 . 2 . . . . 895 PRO HB2 . 15670 1 466 . 1 1 46 46 PRO HB3 H 1 2.447 0.003 . 2 . . . . 895 PRO HB3 . 15670 1 467 . 1 1 46 46 PRO HD2 H 1 4.254 0.003 . 2 . . . . 895 PRO HD2 . 15670 1 468 . 1 1 46 46 PRO HD3 H 1 4.061 0.003 . 2 . . . . 895 PRO HD3 . 15670 1 469 . 1 1 46 46 PRO HG2 H 1 2.138 0.004 . 2 . . . . 895 PRO HG2 . 15670 1 470 . 1 1 46 46 PRO HG3 H 1 2.212 0.005 . 2 . . . . 895 PRO HG3 . 15670 1 471 . 1 1 46 46 PRO CA C 13 65.691 0.051 . 1 . . . . 895 PRO CA . 15670 1 472 . 1 1 46 46 PRO CB C 13 30.724 0.060 . 1 . . . . 895 PRO CB . 15670 1 473 . 1 1 46 46 PRO CD C 13 50.811 0.022 . 1 . . . . 895 PRO CD . 15670 1 474 . 1 1 46 46 PRO CG C 13 28.420 0.048 . 1 . . . . 895 PRO CG . 15670 1 475 . 1 1 47 47 CYS H H 1 7.362 0.002 . . . . . . 896 CYS H . 15670 1 476 . 1 1 47 47 CYS HA H 1 4.272 0.003 . . . . . . 896 CYS HA . 15670 1 477 . 1 1 47 47 CYS HB2 H 1 3.631 0.002 . . . . . . 896 CYS HB2 . 15670 1 478 . 1 1 47 47 CYS HB3 H 1 3.286 0.002 . . . . . . 896 CYS HB3 . 15670 1 479 . 1 1 47 47 CYS CA C 13 62.939 0.019 . . . . . . 896 CYS CA . 15670 1 480 . 1 1 47 47 CYS CB C 13 29.110 0.025 . . . . . . 896 CYS CB . 15670 1 481 . 1 1 47 47 CYS N N 15 118.116 0.021 . . . . . . 896 CYS N . 15670 1 482 . 1 1 48 48 VAL H H 1 7.596 0.004 . 1 . . . . 897 VAL H . 15670 1 483 . 1 1 48 48 VAL HA H 1 4.695 0.002 . 1 . . . . 897 VAL HA . 15670 1 484 . 1 1 48 48 VAL HB H 1 2.704 0.004 . 1 . . . . 897 VAL HB . 15670 1 485 . 1 1 48 48 VAL HG11 H 1 0.670 0.004 . . . . . . 897 VAL QG1 . 15670 1 486 . 1 1 48 48 VAL HG12 H 1 0.670 0.004 . . . . . . 897 VAL QG1 . 15670 1 487 . 1 1 48 48 VAL HG13 H 1 0.670 0.004 . . . . . . 897 VAL QG1 . 15670 1 488 . 1 1 48 48 VAL HG21 H 1 0.690 0.003 . . . . . . 897 VAL QG2 . 15670 1 489 . 1 1 48 48 VAL HG22 H 1 0.690 0.003 . . . . . . 897 VAL QG2 . 15670 1 490 . 1 1 48 48 VAL HG23 H 1 0.690 0.003 . . . . . . 897 VAL QG2 . 15670 1 491 . 1 1 48 48 VAL CA C 13 60.124 0.067 . 1 . . . . 897 VAL CA . 15670 1 492 . 1 1 48 48 VAL CB C 13 31.827 0.005 . 1 . . . . 897 VAL CB . 15670 1 493 . 1 1 48 48 VAL CG1 C 13 23.671 0.025 . 2 . . . . 897 VAL CG1 . 15670 1 494 . 1 1 48 48 VAL CG2 C 13 18.104 0.060 . 2 . . . . 897 VAL CG2 . 15670 1 495 . 1 1 48 48 VAL N N 15 109.085 0.020 . 1 . . . . 897 VAL N . 15670 1 496 . 1 1 49 49 GLY H H 1 7.506 0.001 . 1 . . . . 898 GLY H . 15670 1 497 . 1 1 49 49 GLY HA2 H 1 3.985 0.003 . 2 . . . . 898 GLY HA2 . 15670 1 498 . 1 1 49 49 GLY HA3 H 1 3.823 0.004 . 2 . . . . 898 GLY HA3 . 15670 1 499 . 1 1 49 49 GLY CA C 13 46.915 0.028 . 1 . . . . 898 GLY CA . 15670 1 500 . 1 1 49 49 GLY N N 15 108.979 0.024 . 1 . . . . 898 GLY N . 15670 1 501 . 1 1 50 50 ILE H H 1 7.819 0.003 . 1 . . . . 899 ILE H . 15670 1 502 . 1 1 50 50 ILE HA H 1 3.953 0.003 . 1 . . . . 899 ILE HA . 15670 1 503 . 1 1 50 50 ILE HB H 1 1.247 0.003 . 1 . . . . 899 ILE HB . 15670 1 504 . 1 1 50 50 ILE HD11 H 1 0.105 0.002 . . . . . . 899 ILE QD1 . 15670 1 505 . 1 1 50 50 ILE HD12 H 1 0.105 0.002 . . . . . . 899 ILE QD1 . 15670 1 506 . 1 1 50 50 ILE HD13 H 1 0.105 0.002 . . . . . . 899 ILE QD1 . 15670 1 507 . 1 1 50 50 ILE HG12 H 1 0.885 0.004 . 2 . . . . 899 ILE HG12 . 15670 1 508 . 1 1 50 50 ILE HG13 H 1 0.828 0.004 . 2 . . . . 899 ILE HG13 . 15670 1 509 . 1 1 50 50 ILE HG21 H 1 -0.222 0.003 . . . . . . 899 ILE QG2 . 15670 1 510 . 1 1 50 50 ILE HG22 H 1 -0.222 0.003 . . . . . . 899 ILE QG2 . 15670 1 511 . 1 1 50 50 ILE HG23 H 1 -0.222 0.003 . . . . . . 899 ILE QG2 . 15670 1 512 . 1 1 50 50 ILE CA C 13 60.512 0.025 . 1 . . . . 899 ILE CA . 15670 1 513 . 1 1 50 50 ILE CB C 13 37.880 0.045 . 1 . . . . 899 ILE CB . 15670 1 514 . 1 1 50 50 ILE CD1 C 13 11.728 0.046 . 1 . . . . 899 ILE CD1 . 15670 1 515 . 1 1 50 50 ILE CG1 C 13 26.866 0.034 . 1 . . . . 899 ILE CG1 . 15670 1 516 . 1 1 50 50 ILE CG2 C 13 16.475 0.043 . 1 . . . . 899 ILE CG2 . 15670 1 517 . 1 1 50 50 ILE N N 15 120.835 0.018 . 1 . . . . 899 ILE N . 15670 1 518 . 1 1 51 51 MET H H 1 8.578 0.002 . 1 . . . . 900 MET H . 15670 1 519 . 1 1 51 51 MET HA H 1 4.645 0.003 . 1 . . . . 900 MET HA . 15670 1 520 . 1 1 51 51 MET HB2 H 1 2.180 0.003 . 2 . . . . 900 MET HB2 . 15670 1 521 . 1 1 51 51 MET HB3 H 1 1.863 0.004 . 2 . . . . 900 MET HB3 . 15670 1 522 . 1 1 51 51 MET HG2 H 1 2.441 0.003 . 2 . . . . 900 MET HG2 . 15670 1 523 . 1 1 51 51 MET HG3 H 1 2.590 0.004 . 2 . . . . 900 MET HG3 . 15670 1 524 . 1 1 51 51 MET CA C 13 54.548 0.027 . 1 . . . . 900 MET CA . 15670 1 525 . 1 1 51 51 MET CB C 13 33.635 0.038 . 1 . . . . 900 MET CB . 15670 1 526 . 1 1 51 51 MET CG C 13 32.196 0.047 . 1 . . . . 900 MET CG . 15670 1 527 . 1 1 51 51 MET N N 15 123.270 0.009 . 1 . . . . 900 MET N . 15670 1 528 . 1 1 52 52 ALA H H 1 7.196 0.003 . 1 . . . . 901 ALA H . 15670 1 529 . 1 1 52 52 ALA HA H 1 4.245 0.003 . 1 . . . . 901 ALA HA . 15670 1 530 . 1 1 52 52 ALA HB1 H 1 1.235 0.003 . . . . . . 901 ALA QB . 15670 1 531 . 1 1 52 52 ALA HB2 H 1 1.235 0.003 . . . . . . 901 ALA QB . 15670 1 532 . 1 1 52 52 ALA HB3 H 1 1.235 0.003 . . . . . . 901 ALA QB . 15670 1 533 . 1 1 52 52 ALA CA C 13 50.800 0.040 . 1 . . . . 901 ALA CA . 15670 1 534 . 1 1 52 52 ALA CB C 13 21.430 0.009 . 1 . . . . 901 ALA CB . 15670 1 535 . 1 1 52 52 ALA N N 15 121.836 0.025 . 1 . . . . 901 ALA N . 15670 1 536 . 1 1 53 53 ALA H H 1 8.395 0.004 . 1 . . . . 902 ALA H . 15670 1 537 . 1 1 53 53 ALA HA H 1 3.874 0.003 . 1 . . . . 902 ALA HA . 15670 1 538 . 1 1 53 53 ALA HB1 H 1 1.418 0.002 . . . . . . 902 ALA QB . 15670 1 539 . 1 1 53 53 ALA HB2 H 1 1.418 0.002 . . . . . . 902 ALA QB . 15670 1 540 . 1 1 53 53 ALA HB3 H 1 1.418 0.002 . . . . . . 902 ALA QB . 15670 1 541 . 1 1 53 53 ALA CA C 13 50.715 0.021 . 1 . . . . 902 ALA CA . 15670 1 542 . 1 1 53 53 ALA CB C 13 17.668 0.012 . 1 . . . . 902 ALA CB . 15670 1 543 . 1 1 53 53 ALA N N 15 123.786 0.009 . 1 . . . . 902 ALA N . 15670 1 544 . 1 1 54 54 PRO HA H 1 4.541 0.002 . 1 . . . . 903 PRO HA . 15670 1 545 . 1 1 54 54 PRO HB2 H 1 1.846 0.003 . 2 . . . . 903 PRO HB2 . 15670 1 546 . 1 1 54 54 PRO HB3 H 1 2.197 0.003 . 2 . . . . 903 PRO HB3 . 15670 1 547 . 1 1 54 54 PRO HD2 H 1 3.128 0.003 . 2 . . . . 903 PRO HD2 . 15670 1 548 . 1 1 54 54 PRO HD3 H 1 3.406 0.003 . 2 . . . . 903 PRO HD3 . 15670 1 549 . 1 1 54 54 PRO HG2 H 1 1.577 0.004 . 2 . . . . 903 PRO HG2 . 15670 1 550 . 1 1 54 54 PRO HG3 H 1 1.821 0.004 . 2 . . . . 903 PRO HG3 . 15670 1 551 . 1 1 54 54 PRO CA C 13 61.091 0.041 . 1 . . . . 903 PRO CA . 15670 1 552 . 1 1 54 54 PRO CB C 13 30.781 0.028 . 1 . . . . 903 PRO CB . 15670 1 553 . 1 1 54 54 PRO CD C 13 50.538 0.036 . 1 . . . . 903 PRO CD . 15670 1 554 . 1 1 54 54 PRO CG C 13 27.149 0.047 . 1 . . . . 903 PRO CG . 15670 1 555 . 1 1 55 55 PRO HA H 1 4.420 0.002 . 1 . . . . 904 PRO HA . 15670 1 556 . 1 1 55 55 PRO HB2 H 1 1.899 0.002 . 2 . . . . 904 PRO HB2 . 15670 1 557 . 1 1 55 55 PRO HB3 H 1 2.409 0.002 . 2 . . . . 904 PRO HB3 . 15670 1 558 . 1 1 55 55 PRO HD2 H 1 3.781 0.002 . 2 . . . . 904 PRO HD2 . 15670 1 559 . 1 1 55 55 PRO HD3 H 1 3.616 0.002 . 2 . . . . 904 PRO HD3 . 15670 1 560 . 1 1 55 55 PRO HG2 H 1 2.047 0.003 . 2 . . . . 904 PRO QG . 15670 1 561 . 1 1 55 55 PRO HG3 H 1 2.047 0.003 . 2 . . . . 904 PRO QG . 15670 1 562 . 1 1 55 55 PRO CA C 13 63.059 0.011 . 1 . . . . 904 PRO CA . 15670 1 563 . 1 1 55 55 PRO CB C 13 32.236 0.018 . 1 . . . . 904 PRO CB . 15670 1 564 . 1 1 55 55 PRO CD C 13 50.504 0.010 . 1 . . . . 904 PRO CD . 15670 1 565 . 1 1 55 55 PRO CG C 13 27.810 0.055 . 1 . . . . 904 PRO CG . 15670 1 566 . 1 1 56 56 GLU H H 1 8.695 0.002 . 1 . . . . 905 GLU H . 15670 1 567 . 1 1 56 56 GLU HA H 1 4.061 0.002 . 1 . . . . 905 GLU HA . 15670 1 568 . 1 1 56 56 GLU HB2 H 1 2.062 0.002 . 2 . . . . 905 GLU QB . 15670 1 569 . 1 1 56 56 GLU HB3 H 1 2.062 0.002 . 2 . . . . 905 GLU QB . 15670 1 570 . 1 1 56 56 GLU HG2 H 1 2.372 0.004 . 2 . . . . 905 GLU QG . 15670 1 571 . 1 1 56 56 GLU HG3 H 1 2.372 0.004 . 2 . . . . 905 GLU QG . 15670 1 572 . 1 1 56 56 GLU CA C 13 58.728 0.009 . 1 . . . . 905 GLU CA . 15670 1 573 . 1 1 56 56 GLU CB C 13 30.028 0.015 . 1 . . . . 905 GLU CB . 15670 1 574 . 1 1 56 56 GLU CG C 13 36.489 0.027 . 1 . . . . 905 GLU CG . 15670 1 575 . 1 1 56 56 GLU N N 15 122.668 0.041 . 1 . . . . 905 GLU N . 15670 1 576 . 1 1 57 57 GLU H H 1 8.901 0.001 . 1 . . . . 906 GLU H . 15670 1 577 . 1 1 57 57 GLU HA H 1 4.211 0.002 . 1 . . . . 906 GLU HA . 15670 1 578 . 1 1 57 57 GLU HB2 H 1 2.069 0.004 . 2 . . . . 906 GLU HB2 . 15670 1 579 . 1 1 57 57 GLU HB3 H 1 2.142 0.003 . 2 . . . . 906 GLU HB3 . 15670 1 580 . 1 1 57 57 GLU HG2 H 1 2.296 0.004 . 2 . . . . 906 GLU HG2 . 15670 1 581 . 1 1 57 57 GLU HG3 H 1 2.237 0.005 . 2 . . . . 906 GLU HG3 . 15670 1 582 . 1 1 57 57 GLU CA C 13 57.136 0.007 . 1 . . . . 906 GLU CA . 15670 1 583 . 1 1 57 57 GLU CB C 13 28.659 0.046 . 1 . . . . 906 GLU CB . 15670 1 584 . 1 1 57 57 GLU CG C 13 36.332 0.030 . 1 . . . . 906 GLU CG . 15670 1 585 . 1 1 57 57 GLU N N 15 115.798 0.025 . 1 . . . . 906 GLU N . 15670 1 586 . 1 1 58 58 MET H H 1 7.646 0.003 . 1 . . . . 907 MET H . 15670 1 587 . 1 1 58 58 MET HA H 1 4.441 0.005 . 1 . . . . 907 MET HA . 15670 1 588 . 1 1 58 58 MET HB2 H 1 1.976 0.003 . 2 . . . . 907 MET HB2 . 15670 1 589 . 1 1 58 58 MET HB3 H 1 2.101 0.005 . 2 . . . . 907 MET HB3 . 15670 1 590 . 1 1 58 58 MET HG2 H 1 2.548 0.003 . 2 . . . . 907 MET HG2 . 15670 1 591 . 1 1 58 58 MET HG3 H 1 2.603 0.003 . 2 . . . . 907 MET HG3 . 15670 1 592 . 1 1 58 58 MET CA C 13 55.477 0.068 . 1 . . . . 907 MET CA . 15670 1 593 . 1 1 58 58 MET CB C 13 34.221 0.035 . 1 . . . . 907 MET CB . 15670 1 594 . 1 1 58 58 MET CG C 13 32.153 0.052 . 1 . . . . 907 MET CG . 15670 1 595 . 1 1 58 58 MET N N 15 120.772 0.028 . 1 . . . . 907 MET N . 15670 1 596 . 1 1 59 59 GLN H H 1 8.431 0.003 . 1 . . . . 908 GLN H . 15670 1 597 . 1 1 59 59 GLN HA H 1 4.397 0.002 . 1 . . . . 908 GLN HA . 15670 1 598 . 1 1 59 59 GLN HB2 H 1 1.847 0.002 . 2 . . . . 908 GLN HB2 . 15670 1 599 . 1 1 59 59 GLN HB3 H 1 1.607 0.003 . 2 . . . . 908 GLN HB3 . 15670 1 600 . 1 1 59 59 GLN HE21 H 1 6.948 0.002 . 2 . . . . 908 GLN HE21 . 15670 1 601 . 1 1 59 59 GLN HE22 H 1 7.760 0.002 . 2 . . . . 908 GLN HE22 . 15670 1 602 . 1 1 59 59 GLN HG2 H 1 2.297 0.002 . 2 . . . . 908 GLN HG2 . 15670 1 603 . 1 1 59 59 GLN HG3 H 1 2.130 0.004 . 2 . . . . 908 GLN HG3 . 15670 1 604 . 1 1 59 59 GLN CA C 13 55.712 0.030 . 1 . . . . 908 GLN CA . 15670 1 605 . 1 1 59 59 GLN CB C 13 31.157 0.037 . 1 . . . . 908 GLN CB . 15670 1 606 . 1 1 59 59 GLN CG C 13 34.933 0.056 . 1 . . . . 908 GLN CG . 15670 1 607 . 1 1 59 59 GLN N N 15 124.270 0.035 . 1 . . . . 908 GLN N . 15670 1 608 . 1 1 59 59 GLN NE2 N 15 113.045 0.045 . 1 . . . . 908 GLN NE2 . 15670 1 609 . 1 1 60 60 TRP H H 1 9.120 0.004 . 1 . . . . 909 TRP H . 15670 1 610 . 1 1 60 60 TRP HA H 1 4.285 0.002 . 1 . . . . 909 TRP HA . 15670 1 611 . 1 1 60 60 TRP HB2 H 1 2.733 0.003 . 2 . . . . 909 TRP HB2 . 15670 1 612 . 1 1 60 60 TRP HB3 H 1 3.069 0.003 . 2 . . . . 909 TRP HB3 . 15670 1 613 . 1 1 60 60 TRP HD1 H 1 7.143 0.004 . 1 . . . . 909 TRP HD1 . 15670 1 614 . 1 1 60 60 TRP HE1 H 1 9.958 0.002 . 1 . . . . 909 TRP HE1 . 15670 1 615 . 1 1 60 60 TRP HE3 H 1 7.157 0.005 . 1 . . . . 909 TRP HE3 . 15670 1 616 . 1 1 60 60 TRP HH2 H 1 6.176 0.006 . 1 . . . . 909 TRP HH2 . 15670 1 617 . 1 1 60 60 TRP HZ2 H 1 6.939 0.004 . 1 . . . . 909 TRP HZ2 . 15670 1 618 . 1 1 60 60 TRP HZ3 H 1 6.554 0.004 . 1 . . . . 909 TRP HZ3 . 15670 1 619 . 1 1 60 60 TRP CA C 13 59.270 0.058 . 1 . . . . 909 TRP CA . 15670 1 620 . 1 1 60 60 TRP CB C 13 31.030 0.068 . 1 . . . . 909 TRP CB . 15670 1 621 . 1 1 60 60 TRP CD1 C 13 126.107 0.038 . 1 . . . . 909 TRP CD1 . 15670 1 622 . 1 1 60 60 TRP CE3 C 13 122.085 0.014 . 1 . . . . 909 TRP CE3 . 15670 1 623 . 1 1 60 60 TRP CH2 C 13 122.622 0.040 . 1 . . . . 909 TRP CH2 . 15670 1 624 . 1 1 60 60 TRP CZ2 C 13 113.478 0.058 . 1 . . . . 909 TRP CZ2 . 15670 1 625 . 1 1 60 60 TRP CZ3 C 13 120.089 0.022 . 1 . . . . 909 TRP CZ3 . 15670 1 626 . 1 1 60 60 TRP N N 15 126.189 0.029 . 1 . . . . 909 TRP N . 15670 1 627 . 1 1 60 60 TRP NE1 N 15 128.781 0.023 . 1 . . . . 909 TRP NE1 . 15670 1 628 . 1 1 61 61 PHE H H 1 6.687 0.003 . 1 . . . . 910 PHE H . 15670 1 629 . 1 1 61 61 PHE HA H 1 5.277 0.004 . 1 . . . . 910 PHE HA . 15670 1 630 . 1 1 61 61 PHE HB2 H 1 2.528 0.004 . 2 . . . . 910 PHE HB2 . 15670 1 631 . 1 1 61 61 PHE HB3 H 1 2.250 0.003 . 2 . . . . 910 PHE HB3 . 15670 1 632 . 1 1 61 61 PHE HD1 H 1 7.019 0.004 . 3 . . . . 910 PHE QD . 15670 1 633 . 1 1 61 61 PHE HD2 H 1 7.019 0.004 . 3 . . . . 910 PHE QD . 15670 1 634 . 1 1 61 61 PHE HE1 H 1 7.115 0.005 . 3 . . . . 910 PHE QE . 15670 1 635 . 1 1 61 61 PHE HE2 H 1 7.115 0.005 . 3 . . . . 910 PHE QE . 15670 1 636 . 1 1 61 61 PHE HZ H 1 7.142 0.000 . 1 . . . . 910 PHE HZ . 15670 1 637 . 1 1 61 61 PHE CA C 13 54.138 0.024 . 1 . . . . 910 PHE CA . 15670 1 638 . 1 1 61 61 PHE CB C 13 41.308 0.044 . 1 . . . . 910 PHE CB . 15670 1 639 . 1 1 61 61 PHE CD1 C 13 131.338 0.167 . 3 . . . . 910 PHE CD1 . 15670 1 640 . 1 1 61 61 PHE CE1 C 13 131.533 0.118 . 3 . . . . 910 PHE CE1 . 15670 1 641 . 1 1 61 61 PHE CZ C 13 129.661 0.000 . 1 . . . . 910 PHE CZ . 15670 1 642 . 1 1 61 61 PHE N N 15 123.174 0.017 . 1 . . . . 910 PHE N . 15670 1 643 . 1 1 62 62 CYS H H 1 9.222 0.003 . . . . . . 911 CYS H . 15670 1 644 . 1 1 62 62 CYS HA H 1 3.638 0.003 . . . . . . 911 CYS HA . 15670 1 645 . 1 1 62 62 CYS HB2 H 1 3.220 0.003 . . . . . . 911 CYS HB2 . 15670 1 646 . 1 1 62 62 CYS HB3 H 1 2.499 0.005 . . . . . . 911 CYS HB3 . 15670 1 647 . 1 1 62 62 CYS CA C 13 56.879 0.031 . . . . . . 911 CYS CA . 15670 1 648 . 1 1 62 62 CYS CB C 13 29.711 0.050 . . . . . . 911 CYS CB . 15670 1 649 . 1 1 62 62 CYS N N 15 126.400 0.027 . . . . . . 911 CYS N . 15670 1 650 . 1 1 63 63 PRO HA H 1 4.111 0.003 . 1 . . . . 912 PRO HA . 15670 1 651 . 1 1 63 63 PRO HB2 H 1 1.890 0.004 . 2 . . . . 912 PRO HB2 . 15670 1 652 . 1 1 63 63 PRO HB3 H 1 2.392 0.001 . 2 . . . . 912 PRO HB3 . 15670 1 653 . 1 1 63 63 PRO HD2 H 1 3.309 0.007 . 2 . . . . 912 PRO QD . 15670 1 654 . 1 1 63 63 PRO HD3 H 1 3.309 0.007 . 2 . . . . 912 PRO QD . 15670 1 655 . 1 1 63 63 PRO HG2 H 1 1.969 0.004 . 2 . . . . 912 PRO HG2 . 15670 1 656 . 1 1 63 63 PRO HG3 H 1 2.067 0.005 . 2 . . . . 912 PRO HG3 . 15670 1 657 . 1 1 63 63 PRO CA C 13 65.616 0.016 . 1 . . . . 912 PRO CA . 15670 1 658 . 1 1 63 63 PRO CB C 13 32.177 0.024 . 1 . . . . 912 PRO CB . 15670 1 659 . 1 1 63 63 PRO CD C 13 49.360 0.000 . 1 . . . . 912 PRO CD . 15670 1 660 . 1 1 63 63 PRO CG C 13 27.966 0.030 . 1 . . . . 912 PRO CG . 15670 1 661 . 1 1 64 64 LYS H H 1 7.931 0.006 . 1 . . . . 913 LYS H . 15670 1 662 . 1 1 64 64 LYS HA H 1 4.189 0.003 . 1 . . . . 913 LYS HA . 15670 1 663 . 1 1 64 64 LYS HB2 H 1 1.955 0.004 . 2 . . . . 913 LYS HB2 . 15670 1 664 . 1 1 64 64 LYS HB3 H 1 2.018 0.003 . 2 . . . . 913 LYS HB3 . 15670 1 665 . 1 1 64 64 LYS HD2 H 1 1.873 0.002 . 2 . . . . 913 LYS HD2 . 15670 1 666 . 1 1 64 64 LYS HD3 H 1 1.774 0.003 . 2 . . . . 913 LYS HD3 . 15670 1 667 . 1 1 64 64 LYS HE2 H 1 3.084 0.007 . 2 . . . . 913 LYS QE . 15670 1 668 . 1 1 64 64 LYS HE3 H 1 3.084 0.007 . 2 . . . . 913 LYS QE . 15670 1 669 . 1 1 64 64 LYS HG2 H 1 1.405 0.003 . 2 . . . . 913 LYS HG2 . 15670 1 670 . 1 1 64 64 LYS HG3 H 1 1.609 0.003 . 2 . . . . 913 LYS HG3 . 15670 1 671 . 1 1 64 64 LYS CA C 13 59.324 0.025 . 1 . . . . 913 LYS CA . 15670 1 672 . 1 1 64 64 LYS CB C 13 32.945 0.035 . 1 . . . . 913 LYS CB . 15670 1 673 . 1 1 64 64 LYS CD C 13 29.340 0.035 . 1 . . . . 913 LYS CD . 15670 1 674 . 1 1 64 64 LYS CE C 13 42.332 0.035 . 1 . . . . 913 LYS CE . 15670 1 675 . 1 1 64 64 LYS CG C 13 25.367 0.044 . 1 . . . . 913 LYS CG . 15670 1 676 . 1 1 64 64 LYS N N 15 117.200 0.022 . 1 . . . . 913 LYS N . 15670 1 677 . 1 1 65 65 CYS H H 1 8.481 0.003 . . . . . . 914 CYS H . 15670 1 678 . 1 1 65 65 CYS HA H 1 3.909 0.003 . . . . . . 914 CYS HA . 15670 1 679 . 1 1 65 65 CYS HB2 H 1 2.978 0.003 . . . . . . 914 CYS HB2 . 15670 1 680 . 1 1 65 65 CYS HB3 H 1 2.795 0.002 . . . . . . 914 CYS HB3 . 15670 1 681 . 1 1 65 65 CYS CA C 13 63.754 0.053 . . . . . . 914 CYS CA . 15670 1 682 . 1 1 65 65 CYS CB C 13 29.907 0.025 . . . . . . 914 CYS CB . 15670 1 683 . 1 1 65 65 CYS N N 15 125.354 0.027 . . . . . . 914 CYS N . 15670 1 684 . 1 1 66 66 ALA H H 1 8.904 0.004 . 1 . . . . 915 ALA H . 15670 1 685 . 1 1 66 66 ALA HA H 1 3.765 0.003 . 1 . . . . 915 ALA HA . 15670 1 686 . 1 1 66 66 ALA HB1 H 1 1.190 0.004 . . . . . . 915 ALA QB . 15670 1 687 . 1 1 66 66 ALA HB2 H 1 1.190 0.004 . . . . . . 915 ALA QB . 15670 1 688 . 1 1 66 66 ALA HB3 H 1 1.190 0.004 . . . . . . 915 ALA QB . 15670 1 689 . 1 1 66 66 ALA CA C 13 54.523 0.009 . 1 . . . . 915 ALA CA . 15670 1 690 . 1 1 66 66 ALA CB C 13 18.298 0.035 . 1 . . . . 915 ALA CB . 15670 1 691 . 1 1 66 66 ALA N N 15 121.697 0.023 . 1 . . . . 915 ALA N . 15670 1 692 . 1 1 67 67 ASN H H 1 7.510 0.004 . 1 . . . . 916 ASN H . 15670 1 693 . 1 1 67 67 ASN HA H 1 4.604 0.004 . 1 . . . . 916 ASN HA . 15670 1 694 . 1 1 67 67 ASN HB2 H 1 2.723 0.004 . 2 . . . . 916 ASN HB2 . 15670 1 695 . 1 1 67 67 ASN HB3 H 1 2.831 0.003 . 2 . . . . 916 ASN HB3 . 15670 1 696 . 1 1 67 67 ASN HD21 H 1 6.928 0.001 . 2 . . . . 916 ASN HD21 . 15670 1 697 . 1 1 67 67 ASN HD22 H 1 7.669 0.001 . 2 . . . . 916 ASN HD22 . 15670 1 698 . 1 1 67 67 ASN CA C 13 53.908 0.000 . 1 . . . . 916 ASN CA . 15670 1 699 . 1 1 67 67 ASN CB C 13 38.936 0.051 . 1 . . . . 916 ASN CB . 15670 1 700 . 1 1 67 67 ASN N N 15 113.992 0.012 . 1 . . . . 916 ASN N . 15670 1 701 . 1 1 67 67 ASN ND2 N 15 113.608 0.029 . 1 . . . . 916 ASN ND2 . 15670 1 702 . 1 1 68 68 LYS H H 1 7.425 0.005 . 1 . . . . 917 LYS H . 15670 1 703 . 1 1 68 68 LYS HA H 1 4.113 0.002 . 1 . . . . 917 LYS HA . 15670 1 704 . 1 1 68 68 LYS HB2 H 1 1.749 0.003 . 2 . . . . 917 LYS HB2 . 15670 1 705 . 1 1 68 68 LYS HB3 H 1 1.812 0.003 . 2 . . . . 917 LYS HB3 . 15670 1 706 . 1 1 68 68 LYS HD2 H 1 1.664 0.002 . 2 . . . . 917 LYS QD . 15670 1 707 . 1 1 68 68 LYS HD3 H 1 1.664 0.002 . 2 . . . . 917 LYS QD . 15670 1 708 . 1 1 68 68 LYS HE2 H 1 2.931 0.004 . 2 . . . . 917 LYS QE . 15670 1 709 . 1 1 68 68 LYS HE3 H 1 2.931 0.004 . 2 . . . . 917 LYS QE . 15670 1 710 . 1 1 68 68 LYS HG2 H 1 1.483 0.002 . 2 . . . . 917 LYS HG2 . 15670 1 711 . 1 1 68 68 LYS HG3 H 1 1.369 0.002 . 2 . . . . 917 LYS HG3 . 15670 1 712 . 1 1 68 68 LYS CA C 13 57.657 0.008 . 1 . . . . 917 LYS CA . 15670 1 713 . 1 1 68 68 LYS CB C 13 32.933 0.015 . 1 . . . . 917 LYS CB . 15670 1 714 . 1 1 68 68 LYS CD C 13 29.578 0.059 . 1 . . . . 917 LYS CD . 15670 1 715 . 1 1 68 68 LYS CE C 13 42.050 0.024 . 1 . . . . 917 LYS CE . 15670 1 716 . 1 1 68 68 LYS CG C 13 25.017 0.042 . 1 . . . . 917 LYS CG . 15670 1 717 . 1 1 68 68 LYS N N 15 120.103 0.028 . 1 . . . . 917 LYS N . 15670 1 718 . 1 1 69 69 ILE H H 1 7.855 0.009 . 1 . . . . 918 ILE H . 15670 1 719 . 1 1 69 69 ILE HA H 1 3.925 0.001 . 1 . . . . 918 ILE HA . 15670 1 720 . 1 1 69 69 ILE HB H 1 1.740 0.002 . 1 . . . . 918 ILE HB . 15670 1 721 . 1 1 69 69 ILE HD11 H 1 0.598 0.006 . . . . . . 918 ILE QD1 . 15670 1 722 . 1 1 69 69 ILE HD12 H 1 0.598 0.006 . . . . . . 918 ILE QD1 . 15670 1 723 . 1 1 69 69 ILE HD13 H 1 0.598 0.006 . . . . . . 918 ILE QD1 . 15670 1 724 . 1 1 69 69 ILE HG12 H 1 1.370 0.002 . 2 . . . . 918 ILE HG12 . 15670 1 725 . 1 1 69 69 ILE HG13 H 1 1.053 0.003 . 2 . . . . 918 ILE HG13 . 15670 1 726 . 1 1 69 69 ILE HG21 H 1 0.787 0.002 . . . . . . 918 ILE QG2 . 15670 1 727 . 1 1 69 69 ILE HG22 H 1 0.787 0.002 . . . . . . 918 ILE QG2 . 15670 1 728 . 1 1 69 69 ILE HG23 H 1 0.787 0.002 . . . . . . 918 ILE QG2 . 15670 1 729 . 1 1 69 69 ILE CA C 13 61.938 0.029 . 1 . . . . 918 ILE CA . 15670 1 730 . 1 1 69 69 ILE CB C 13 38.189 0.027 . 1 . . . . 918 ILE CB . 15670 1 731 . 1 1 69 69 ILE CD1 C 13 12.677 0.011 . 1 . . . . 918 ILE CD1 . 15670 1 732 . 1 1 69 69 ILE CG1 C 13 27.711 0.033 . 1 . . . . 918 ILE CG1 . 15670 1 733 . 1 1 69 69 ILE CG2 C 13 17.388 0.026 . 1 . . . . 918 ILE CG2 . 15670 1 734 . 1 1 69 69 ILE N N 15 120.381 0.010 . 1 . . . . 918 ILE N . 15670 1 735 . 1 1 70 70 LYS H H 1 8.081 0.003 . 1 . . . . 919 LYS H . 15670 1 736 . 1 1 70 70 LYS HA H 1 4.243 0.003 . 1 . . . . 919 LYS HA . 15670 1 737 . 1 1 70 70 LYS HB2 H 1 1.735 0.003 . 2 . . . . 919 LYS HB2 . 15670 1 738 . 1 1 70 70 LYS HB3 H 1 1.808 0.001 . 2 . . . . 919 LYS HB3 . 15670 1 739 . 1 1 70 70 LYS HD2 H 1 1.616 0.001 . 2 . . . . 919 LYS QD . 15670 1 740 . 1 1 70 70 LYS HD3 H 1 1.616 0.001 . 2 . . . . 919 LYS QD . 15670 1 741 . 1 1 70 70 LYS HE2 H 1 2.890 0.001 . 2 . . . . 919 LYS QE . 15670 1 742 . 1 1 70 70 LYS HE3 H 1 2.890 0.001 . 2 . . . . 919 LYS QE . 15670 1 743 . 1 1 70 70 LYS HG2 H 1 1.418 0.004 . 2 . . . . 919 LYS HG2 . 15670 1 744 . 1 1 70 70 LYS HG3 H 1 1.361 0.002 . 2 . . . . 919 LYS HG3 . 15670 1 745 . 1 1 70 70 LYS CA C 13 56.486 0.043 . 1 . . . . 919 LYS CA . 15670 1 746 . 1 1 70 70 LYS CB C 13 32.942 0.031 . 1 . . . . 919 LYS CB . 15670 1 747 . 1 1 70 70 LYS CD C 13 29.029 0.014 . 1 . . . . 919 LYS CD . 15670 1 748 . 1 1 70 70 LYS CE C 13 42.197 0.000 . 1 . . . . 919 LYS CE . 15670 1 749 . 1 1 70 70 LYS CG C 13 24.692 0.038 . 1 . . . . 919 LYS CG . 15670 1 750 . 1 1 70 70 LYS N N 15 124.371 0.027 . 1 . . . . 919 LYS N . 15670 1 751 . 1 1 71 71 LYS H H 1 8.251 0.003 . 1 . . . . 920 LYS H . 15670 1 752 . 1 1 71 71 LYS HA H 1 4.252 0.003 . 1 . . . . 920 LYS HA . 15670 1 753 . 1 1 71 71 LYS HB2 H 1 1.744 0.004 . 2 . . . . 920 LYS HB2 . 15670 1 754 . 1 1 71 71 LYS HB3 H 1 1.829 0.006 . 2 . . . . 920 LYS HB3 . 15670 1 755 . 1 1 71 71 LYS HD2 H 1 1.617 0.000 . 2 . . . . 920 LYS QD . 15670 1 756 . 1 1 71 71 LYS HD3 H 1 1.617 0.000 . 2 . . . . 920 LYS QD . 15670 1 757 . 1 1 71 71 LYS HE2 H 1 2.992 0.000 . 2 . . . . 920 LYS QE . 15670 1 758 . 1 1 71 71 LYS HE3 H 1 2.992 0.000 . 2 . . . . 920 LYS QE . 15670 1 759 . 1 1 71 71 LYS HG2 H 1 1.398 0.003 . 2 . . . . 920 LYS HG2 . 15670 1 760 . 1 1 71 71 LYS HG3 H 1 1.432 0.000 . 2 . . . . 920 LYS HG3 . 15670 1 761 . 1 1 71 71 LYS CA C 13 56.520 0.009 . 1 . . . . 920 LYS CA . 15670 1 762 . 1 1 71 71 LYS CB C 13 32.966 0.005 . 1 . . . . 920 LYS CB . 15670 1 763 . 1 1 71 71 LYS CD C 13 29.015 0.000 . 1 . . . . 920 LYS CD . 15670 1 764 . 1 1 71 71 LYS CE C 13 42.220 0.000 . 1 . . . . 920 LYS CE . 15670 1 765 . 1 1 71 71 LYS CG C 13 24.789 0.000 . 1 . . . . 920 LYS CG . 15670 1 766 . 1 1 71 71 LYS N N 15 122.385 0.019 . 1 . . . . 920 LYS N . 15670 1 767 . 1 1 72 72 ASP H H 1 8.373 0.002 . 1 . . . . 921 ASP H . 15670 1 768 . 1 1 72 72 ASP HA H 1 4.572 0.003 . 1 . . . . 921 ASP HA . 15670 1 769 . 1 1 72 72 ASP HB2 H 1 2.624 0.005 . 2 . . . . 921 ASP HB2 . 15670 1 770 . 1 1 72 72 ASP HB3 H 1 2.684 0.002 . 2 . . . . 921 ASP HB3 . 15670 1 771 . 1 1 72 72 ASP CA C 13 54.554 0.000 . 1 . . . . 921 ASP CA . 15670 1 772 . 1 1 72 72 ASP CB C 13 41.394 0.047 . 1 . . . . 921 ASP CB . 15670 1 773 . 1 1 72 72 ASP N N 15 121.261 0.016 . 1 . . . . 921 ASP N . 15670 1 774 . 1 1 73 73 LYS H H 1 8.201 0.001 . 1 . . . . 922 LYS H . 15670 1 775 . 1 1 73 73 LYS HA H 1 4.293 0.004 . 1 . . . . 922 LYS HA . 15670 1 776 . 1 1 73 73 LYS HB2 H 1 1.753 0.002 . 2 . . . . 922 LYS HB2 . 15670 1 777 . 1 1 73 73 LYS HB3 H 1 1.832 0.002 . 2 . . . . 922 LYS HB3 . 15670 1 778 . 1 1 73 73 LYS HD2 H 1 1.674 0.000 . 2 . . . . 922 LYS QD . 15670 1 779 . 1 1 73 73 LYS HD3 H 1 1.674 0.000 . 2 . . . . 922 LYS QD . 15670 1 780 . 1 1 73 73 LYS HE2 H 1 2.977 0.000 . 2 . . . . 922 LYS QE . 15670 1 781 . 1 1 73 73 LYS HE3 H 1 2.977 0.000 . 2 . . . . 922 LYS QE . 15670 1 782 . 1 1 73 73 LYS HG2 H 1 1.416 0.002 . 2 . . . . 922 LYS QG . 15670 1 783 . 1 1 73 73 LYS HG3 H 1 1.416 0.002 . 2 . . . . 922 LYS QG . 15670 1 784 . 1 1 73 73 LYS CA C 13 56.200 0.000 . 1 . . . . 922 LYS CA . 15670 1 785 . 1 1 73 73 LYS CB C 13 32.966 0.005 . 1 . . . . 922 LYS CB . 15670 1 786 . 1 1 73 73 LYS CD C 13 29.100 0.000 . 1 . . . . 922 LYS CD . 15670 1 787 . 1 1 73 73 LYS CE C 13 42.197 0.000 . 1 . . . . 922 LYS CE . 15670 1 788 . 1 1 73 73 LYS CG C 13 24.809 0.000 . 1 . . . . 922 LYS CG . 15670 1 789 . 1 1 73 73 LYS N N 15 121.492 0.029 . 1 . . . . 922 LYS N . 15670 1 790 . 1 1 74 74 LYS H H 1 8.347 0.001 . 1 . . . . 923 LYS H . 15670 1 791 . 1 1 74 74 LYS HA H 1 4.281 0.007 . 1 . . . . 923 LYS HA . 15670 1 792 . 1 1 74 74 LYS HB2 H 1 1.742 0.003 . 2 . . . . 923 LYS HB2 . 15670 1 793 . 1 1 74 74 LYS HB3 H 1 1.808 0.001 . 2 . . . . 923 LYS HB3 . 15670 1 794 . 1 1 74 74 LYS HD2 H 1 1.676 0.003 . 2 . . . . 923 LYS QD . 15670 1 795 . 1 1 74 74 LYS HD3 H 1 1.676 0.003 . 2 . . . . 923 LYS QD . 15670 1 796 . 1 1 74 74 LYS HE2 H 1 2.977 0.000 . 2 . . . . 923 LYS QE . 15670 1 797 . 1 1 74 74 LYS HE3 H 1 2.977 0.000 . 2 . . . . 923 LYS QE . 15670 1 798 . 1 1 74 74 LYS HG2 H 1 1.419 0.001 . 2 . . . . 923 LYS QG . 15670 1 799 . 1 1 74 74 LYS HG3 H 1 1.419 0.001 . 2 . . . . 923 LYS QG . 15670 1 800 . 1 1 74 74 LYS CA C 13 56.357 0.000 . 1 . . . . 923 LYS CA . 15670 1 801 . 1 1 74 74 LYS CB C 13 32.966 0.005 . 1 . . . . 923 LYS CB . 15670 1 802 . 1 1 74 74 LYS CD C 13 29.015 0.000 . 1 . . . . 923 LYS CD . 15670 1 803 . 1 1 74 74 LYS CE C 13 42.197 0.000 . 1 . . . . 923 LYS CE . 15670 1 804 . 1 1 74 74 LYS CG C 13 24.789 0.000 . 1 . . . . 923 LYS CG . 15670 1 805 . 1 1 74 74 LYS N N 15 123.061 0.021 . 1 . . . . 923 LYS N . 15670 1 806 . 1 1 75 75 HIS H H 1 8.009 0.001 . . . . . . 924 HIS H . 15670 1 807 . 1 1 75 75 HIS HA H 1 4.449 0.000 . . . . . . 924 HIS HA . 15670 1 808 . 1 1 75 75 HIS HB2 H 1 3.058 0.001 . . . . . . 924 HIS HB2 . 15670 1 809 . 1 1 75 75 HIS HB3 H 1 3.206 0.001 . . . . . . 924 HIS HB3 . 15670 1 810 . 1 1 75 75 HIS HD2 H 1 7.129 0.000 . . . . . . 924 HIS HD2 . 15670 1 811 . 1 1 75 75 HIS HE1 H 1 8.218 0.003 . . . . . . 924 HIS HE1 . 15670 1 812 . 1 1 75 75 HIS CA C 13 57.365 0.000 . . . . . . 924 HIS CA . 15670 1 813 . 1 1 75 75 HIS CB C 13 30.772 0.010 . . . . . . 924 HIS CB . 15670 1 814 . 1 1 75 75 HIS CD2 C 13 120.218 0.000 . . . . . . 924 HIS CD2 . 15670 1 815 . 1 1 75 75 HIS CE1 C 13 137.075 0.010 . . . . . . 924 HIS CE1 . 15670 1 816 . 1 1 75 75 HIS N N 15 125.334 0.020 . . . . . . 924 HIS N . 15670 1 stop_ save_