data_15671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15671 _Entry.Title ; Solution structure of the TAF3 PHD domain in complex with a H3K4me3 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-22 _Entry.Accession_date 2008-02-22 _Entry.Last_release_date . _Entry.Original_release_date . _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 planhomeodomain of TFIID sununit TAF3 with a peptide derived from the N terminal tail of histone H3 trimethylated at K4' _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' . . . 15671 2 Frederik 'van Schaik' . M.A . 15671 3 Hans Wienk . . . 15671 4 Marc Timmers . . . 15671 5 Rolf Boelens . . . 15671 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15671 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 15671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 236 15671 '15N chemical shifts' 76 15671 '1H chemical shifts' 577 15671 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 2 . . 2010-12-22 2008-02-22 update BMRB 'update chemical shift table' 15671 1 . . 2008-08-22 2008-02-22 original author 'original release' 15671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15670 TAF3-PHD 15671 PDB 2K17 'BMRB Entry Tracking System' 15671 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15671 _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' . . . 15671 1 2 Frederik 'van Schaik' . M.A. . 15671 1 3 Hans Wienk . . . 15671 1 4 Joost Ballering . . . 15671 1 5 Holger Rehmann . . . 15671 1 6 Annemarie Deschesne . C. . 15671 1 7 John Kruijzer . A.W. . 15671 1 8 Rob Liskamp . M.J. . 15671 1 9 'H. Th. Marc' Timmers . . . 15671 1 10 Rolf Boelens . . . 15671 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'histone modifications' 15671 1 NMR 15671 1 PHD 15671 1 TFIID 15671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15671 _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 . . . 15671 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 15671 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 15671 1 4 TAF3_PHD 3 $H3K4me3 D . yes native no no . . . 15671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAF3_PHD _Entity.Sf_category entity _Entity.Sf_framecode TAF3_PHD _Entity.Entry_ID 15671 _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 15670 . TAF3_PHD . . . . . 100.00 75 100.00 100.00 9.20e-47 . . . . 15671 1 2 no PDB 2K16 . "Solution Structure Of The Free Taf3 Phd Domain" . . . . . 100.00 75 100.00 100.00 9.20e-47 . . . . 15671 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 . . . . 15671 1 4 no DBJ BAE22792 . "unnamed protein product [Mus musculus]" . . . . . 90.67 554 100.00 100.00 1.07e-43 . . . . 15671 1 5 no DBJ BAE32543 . "unnamed protein product [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15671 1 6 no EMBL CAC34476 . "TAFII140 protein [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15671 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 . . . . 15671 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 . . . . 15671 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 . . . . 15671 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 . . . . 15671 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 . . . . 15671 1 12 no REF NP_001258271 . "transcription initiation factor TFIID subunit 3 [Rattus norvegicus]" . . . . . 90.67 930 100.00 100.00 7.24e-44 . . . . 15671 1 13 no REF NP_082024 . "transcription initiation factor TFIID subunit 3 [Mus musculus]" . . . . . 90.67 932 100.00 100.00 4.03e-44 . . . . 15671 1 14 no REF NP_114129 . "transcription initiation factor TFIID subunit 3 [Homo sapiens]" . . . . . 90.67 929 97.06 97.06 3.43e-41 . . . . 15671 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 . . . . 15671 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 . . . . 15671 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 . . . . 15671 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 . . . . 15671 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor' 15671 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15671 1 2 . SER . 15671 1 3 . HIS . 15671 1 4 . MET . 15671 1 5 . ALA . 15671 1 6 . MET . 15671 1 7 . ALA . 15671 1 8 . TYR . 15671 1 9 . VAL . 15671 1 10 . ILE . 15671 1 11 . ARG . 15671 1 12 . ASP . 15671 1 13 . GLU . 15671 1 14 . TRP . 15671 1 15 . GLY . 15671 1 16 . ASN . 15671 1 17 . GLN . 15671 1 18 . ILE . 15671 1 19 . TRP . 15671 1 20 . ILE . 15671 1 21 . CYS . 15671 1 22 . PRO . 15671 1 23 . GLY . 15671 1 24 . CYS . 15671 1 25 . ASN . 15671 1 26 . LYS . 15671 1 27 . PRO . 15671 1 28 . ASP . 15671 1 29 . ASP . 15671 1 30 . GLY . 15671 1 31 . SER . 15671 1 32 . PRO . 15671 1 33 . MET . 15671 1 34 . ILE . 15671 1 35 . GLY . 15671 1 36 . CYS . 15671 1 37 . ASP . 15671 1 38 . ASP . 15671 1 39 . CYS . 15671 1 40 . ASP . 15671 1 41 . ASP . 15671 1 42 . TRP . 15671 1 43 . TYR . 15671 1 44 . HIS . 15671 1 45 . TRP . 15671 1 46 . PRO . 15671 1 47 . CYS . 15671 1 48 . VAL . 15671 1 49 . GLY . 15671 1 50 . ILE . 15671 1 51 . MET . 15671 1 52 . ALA . 15671 1 53 . ALA . 15671 1 54 . PRO . 15671 1 55 . PRO . 15671 1 56 . GLU . 15671 1 57 . GLU . 15671 1 58 . MET . 15671 1 59 . GLN . 15671 1 60 . TRP . 15671 1 61 . PHE . 15671 1 62 . CYS . 15671 1 63 . PRO . 15671 1 64 . LYS . 15671 1 65 . CYS . 15671 1 66 . ALA . 15671 1 67 . ASN . 15671 1 68 . LYS . 15671 1 69 . ILE . 15671 1 70 . LYS . 15671 1 71 . LYS . 15671 1 72 . ASP . 15671 1 73 . LYS . 15671 1 74 . LYS . 15671 1 75 . HIS . 15671 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 15671 1 . SER 2 2 15671 1 . HIS 3 3 15671 1 . MET 4 4 15671 1 . ALA 5 5 15671 1 . MET 6 6 15671 1 . ALA 7 7 15671 1 . TYR 8 8 15671 1 . VAL 9 9 15671 1 . ILE 10 10 15671 1 . ARG 11 11 15671 1 . ASP 12 12 15671 1 . GLU 13 13 15671 1 . TRP 14 14 15671 1 . GLY 15 15 15671 1 . ASN 16 16 15671 1 . GLN 17 17 15671 1 . ILE 18 18 15671 1 . TRP 19 19 15671 1 . ILE 20 20 15671 1 . CYS 21 21 15671 1 . PRO 22 22 15671 1 . GLY 23 23 15671 1 . CYS 24 24 15671 1 . ASN 25 25 15671 1 . LYS 26 26 15671 1 . PRO 27 27 15671 1 . ASP 28 28 15671 1 . ASP 29 29 15671 1 . GLY 30 30 15671 1 . SER 31 31 15671 1 . PRO 32 32 15671 1 . MET 33 33 15671 1 . ILE 34 34 15671 1 . GLY 35 35 15671 1 . CYS 36 36 15671 1 . ASP 37 37 15671 1 . ASP 38 38 15671 1 . CYS 39 39 15671 1 . ASP 40 40 15671 1 . ASP 41 41 15671 1 . TRP 42 42 15671 1 . TYR 43 43 15671 1 . HIS 44 44 15671 1 . TRP 45 45 15671 1 . PRO 46 46 15671 1 . CYS 47 47 15671 1 . VAL 48 48 15671 1 . GLY 49 49 15671 1 . ILE 50 50 15671 1 . MET 51 51 15671 1 . ALA 52 52 15671 1 . ALA 53 53 15671 1 . PRO 54 54 15671 1 . PRO 55 55 15671 1 . GLU 56 56 15671 1 . GLU 57 57 15671 1 . MET 58 58 15671 1 . GLN 59 59 15671 1 . TRP 60 60 15671 1 . PHE 61 61 15671 1 . CYS 62 62 15671 1 . PRO 63 63 15671 1 . LYS 64 64 15671 1 . CYS 65 65 15671 1 . ALA 66 66 15671 1 . ASN 67 67 15671 1 . LYS 68 68 15671 1 . ILE 69 69 15671 1 . LYS 70 70 15671 1 . LYS 71 71 15671 1 . ASP 72 72 15671 1 . LYS 73 73 15671 1 . LYS 74 74 15671 1 . HIS 75 75 15671 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15671 _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 . 15671 2 stop_ save_ save_H3K4me3 _Entity.Sf_category entity _Entity.Sf_framecode H3K4me3 _Entity.Entry_ID 15671 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name H3K4me3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID P _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ARTXQTARKSTGG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'contains trimethylated lysine at position 4, M3L' _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . . SWS P68431 . . . . . . . . . . . . . . . . 15671 3 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 . ALA . 15671 3 2 . ARG . 15671 3 3 . THR . 15671 3 4 . M3L . 15671 3 5 . GLN . 15671 3 6 . THR . 15671 3 7 . ALA . 15671 3 8 . ARG . 15671 3 9 . LYS . 15671 3 10 . SER . 15671 3 11 . THR . 15671 3 12 . GLY . 15671 3 13 . GLY . 15671 3 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 . ALA 1 1 15671 3 . ARG 2 2 15671 3 . THR 3 3 15671 3 . M3L 4 4 15671 3 . GLN 5 5 15671 3 . THR 6 6 15671 3 . ALA 7 7 15671 3 . ARG 8 8 15671 3 . LYS 9 9 15671 3 . SER 10 10 15671 3 . THR 11 11 15671 3 . GLY 12 12 15671 3 . GLY 13 13 15671 3 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 15671 _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 . . . . . . . . . . . . . . . . . . . . . 15671 1 2 3 $H3K4me3 . 9606 organism . 'Homo sapiens' . . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15671 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 15671 _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 . . . . . . 15671 1 2 3 $H3K4me3 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15671 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 15671 _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 15671 ZN [Zn++] SMILES CACTVS 3.341 15671 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15671 ZN [Zn+2] SMILES ACDLabs 10.04 15671 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15671 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15671 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 15671 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15671 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 . . . . . . . . . . . . . . . 15671 ZN stop_ save_ save_chem_comp_M3L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M3L _Chem_comp.Entry_ID 15671 _Chem_comp.ID M3L _Chem_comp.Provenance . _Chem_comp.Name N-TRIMETHYLLYSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code M3L _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 M3L _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H21 N2 O2' _Chem_comp.Formula_weight 189.275 _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 19:45:28 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 C[N+](C)(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 15671 M3L C[N+](C)(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15671 M3L C[N+](C)(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 15671 M3L C[N+](C)(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 15671 M3L InChI=1/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 InChI InChI 1.01 15671 M3L O=C(O)C(N)CCCC[N+](C)(C)C SMILES ACDLabs 10.04 15671 M3L 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 [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15671 M3L N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium 'SYSTEMATIC NAME' ACDLabs 10.04 15671 M3L 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 C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CB . CB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CD . CD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CE . CE . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CG . CG . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CM1 . CM1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CM2 . CM2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L CM3 . CM3 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L H . H . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HB2 . HB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HB3 . HB3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HD2 . HD2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HD3 . HD3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HE2 . HE2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HE3 . HE3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HG2 . HG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HG3 . HG3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM11 . HM11 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM12 . HM12 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM13 . HM13 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM21 . HM21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM22 . HM22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM23 . HM23 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM31 . HM31 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM32 . HM32 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HM33 . HM33 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L NZ . NZ . . N . N . 1 . . . . no no . . . . . . . . . . . . . . . 15671 M3L O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15671 M3L OXT . OXT . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15671 M3L stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 15671 M3L 2 . SING N H . . . . 15671 M3L 3 . SING N H2 . . . . 15671 M3L 4 . SING CA CB . . . . 15671 M3L 5 . SING CA C . . . . 15671 M3L 6 . SING CA HA . . . . 15671 M3L 7 . SING CB CG . . . . 15671 M3L 8 . SING CB HB2 . . . . 15671 M3L 9 . SING CB HB3 . . . . 15671 M3L 10 . SING CG CD . . . . 15671 M3L 11 . SING CG HG2 . . . . 15671 M3L 12 . SING CG HG3 . . . . 15671 M3L 13 . SING CD CE . . . . 15671 M3L 14 . SING CD HD2 . . . . 15671 M3L 15 . SING CD HD3 . . . . 15671 M3L 16 . SING CE NZ . . . . 15671 M3L 17 . SING CE HE2 . . . . 15671 M3L 18 . SING CE HE3 . . . . 15671 M3L 19 . SING NZ CM1 . . . . 15671 M3L 20 . SING NZ CM2 . . . . 15671 M3L 21 . SING NZ CM3 . . . . 15671 M3L 22 . DOUB C O . . . . 15671 M3L 23 . SING C OXT . . . . 15671 M3L 24 . SING OXT HXT . . . . 15671 M3L 25 . SING CM1 HM11 . . . . 15671 M3L 26 . SING CM1 HM12 . . . . 15671 M3L 27 . SING CM1 HM13 . . . . 15671 M3L 28 . SING CM2 HM21 . . . . 15671 M3L 29 . SING CM2 HM22 . . . . 15671 M3L 30 . SING CM2 HM23 . . . . 15671 M3L 31 . SING CM3 HM31 . . . . 15671 M3L 32 . SING CM3 HM32 . . . . 15671 M3L 33 . SING CM3 HM33 . . . . 15671 M3L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15671 _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 . . 0.4 . . mM . . . . 15671 1 2 H3K4me3 '[U-13C; U-15N]' . . 3 $H3K4me3 . . 0.4 . . mM . . . . 15671 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15671 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15671 1 5 ZnCl2 'natural abundance' . . . . . . 0.01 . . mM . . . . 15671 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 15671 _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 15671 1 pressure 1 . atm 15671 1 temperature 293 . K 15671 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15671 _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' . . 15671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15671 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15671 _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' . . 15671 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15671 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15671 _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' . . 15671 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15671 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15671 _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 . . 15671 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15671 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 15671 _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 15671 _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 15671 _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 15671 _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 15671 _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 . . . 15671 1 2 spectrometer_2 Bruker Avance . 750 . . . 15671 1 3 spectrometer_3 Bruker Avance . 700 . . . 15671 1 4 spectrometer_4 Bruker Avance . 600 . . . 15671 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 15671 _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 . . . . . . . . . . . . . . . . . . . . . 15671 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15671 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15671 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 15671 _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 . . . . . . . . . 15671 1 H 1 water protons . . . . ppm 4.751 internal direct 1.000000000 . . . . . . . . . 15671 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 15671 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 15671 _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' . . . 15671 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 3.902 0.002 . 2 . . . . 850 GLY QA . 15671 1 2 . 1 1 1 1 GLY HA3 H 1 3.902 0.002 . 2 . . . . 850 GLY QA . 15671 1 3 . 1 1 1 1 GLY CA C 13 43.693 0.001 . 1 . . . . 850 GLY CA . 15671 1 4 . 1 1 2 2 SER HA H 1 4.523 0.003 . 1 . . . . 851 SER HA . 15671 1 5 . 1 1 2 2 SER HB2 H 1 3.865 0.006 . 2 . . . . 851 SER QB . 15671 1 6 . 1 1 2 2 SER HB3 H 1 3.865 0.006 . 2 . . . . 851 SER QB . 15671 1 7 . 1 1 2 2 SER CA C 13 58.400 0.012 . 1 . . . . 851 SER CA . 15671 1 8 . 1 1 2 2 SER CB C 13 63.991 0.000 . 1 . . . . 851 SER CB . 15671 1 9 . 1 1 3 3 HIS HA H 1 4.690 0.003 . . . . . . 852 HIS HA . 15671 1 10 . 1 1 3 3 HIS HB2 H 1 3.142 0.004 . . . . . . 852 HIS HB2 . 15671 1 11 . 1 1 3 3 HIS HB3 H 1 3.209 0.004 . . . . . . 852 HIS HB3 . 15671 1 12 . 1 1 3 3 HIS HD2 H 1 7.117 0.007 . . . . . . 852 HIS HD2 . 15671 1 13 . 1 1 3 3 HIS HE1 H 1 8.060 0.005 . . . . . . 852 HIS HE1 . 15671 1 14 . 1 1 3 3 HIS CA C 13 56.420 0.008 . . . . . . 852 HIS CA . 15671 1 15 . 1 1 3 3 HIS CB C 13 30.354 0.098 . . . . . . 852 HIS CB . 15671 1 16 . 1 1 3 3 HIS CD2 C 13 119.994 0.000 . . . . . . 852 HIS CD2 . 15671 1 17 . 1 1 3 3 HIS CE1 C 13 138.066 0.000 . . . . . . 852 HIS CE1 . 15671 1 18 . 1 1 4 4 MET H H 1 8.381 0.000 . 1 . . . . 853 MET H . 15671 1 19 . 1 1 4 4 MET HA H 1 4.446 0.003 . 1 . . . . 853 MET HA . 15671 1 20 . 1 1 4 4 MET CA C 13 55.618 0.120 . 1 . . . . 853 MET CA . 15671 1 21 . 1 1 4 4 MET CB C 13 32.684 0.000 . 1 . . . . 853 MET CB . 15671 1 22 . 1 1 4 4 MET N N 15 122.067 0.009 . 1 . . . . 853 MET N . 15671 1 23 . 1 1 5 5 ALA H H 1 8.389 0.006 . 1 . . . . 854 ALA H . 15671 1 24 . 1 1 5 5 ALA HA H 1 4.338 0.004 . 1 . . . . 854 ALA HA . 15671 1 25 . 1 1 5 5 ALA HB1 H 1 1.422 0.001 . . . . . . 854 ALA QB . 15671 1 26 . 1 1 5 5 ALA HB2 H 1 1.422 0.001 . . . . . . 854 ALA QB . 15671 1 27 . 1 1 5 5 ALA HB3 H 1 1.422 0.001 . . . . . . 854 ALA QB . 15671 1 28 . 1 1 5 5 ALA CA C 13 52.657 0.006 . 1 . . . . 854 ALA CA . 15671 1 29 . 1 1 5 5 ALA CB C 13 19.185 0.110 . 1 . . . . 854 ALA CB . 15671 1 30 . 1 1 5 5 ALA N N 15 125.650 0.036 . 1 . . . . 854 ALA N . 15671 1 31 . 1 1 6 6 MET H H 1 8.325 0.005 . 1 . . . . 855 MET H . 15671 1 32 . 1 1 6 6 MET HA H 1 4.433 0.006 . 1 . . . . 855 MET HA . 15671 1 33 . 1 1 6 6 MET HB2 H 1 2.044 0.001 . 2 . . . . 855 MET HB2 . 15671 1 34 . 1 1 6 6 MET HB3 H 1 1.966 0.004 . 2 . . . . 855 MET HB3 . 15671 1 35 . 1 1 6 6 MET HG2 H 1 2.507 0.000 . 2 . . . . 855 MET QG . 15671 1 36 . 1 1 6 6 MET HG3 H 1 2.507 0.000 . 2 . . . . 855 MET QG . 15671 1 37 . 1 1 6 6 MET CA C 13 55.336 0.078 . 1 . . . . 855 MET CA . 15671 1 38 . 1 1 6 6 MET CB C 13 32.906 0.136 . 1 . . . . 855 MET CB . 15671 1 39 . 1 1 6 6 MET N N 15 119.690 0.020 . 1 . . . . 855 MET N . 15671 1 40 . 1 1 7 7 ALA H H 1 8.132 0.005 . 1 . . . . 856 ALA H . 15671 1 41 . 1 1 7 7 ALA HA H 1 4.285 0.006 . 1 . . . . 856 ALA HA . 15671 1 42 . 1 1 7 7 ALA HB1 H 1 1.326 0.001 . . . . . . 856 ALA QB . 15671 1 43 . 1 1 7 7 ALA HB2 H 1 1.326 0.001 . . . . . . 856 ALA QB . 15671 1 44 . 1 1 7 7 ALA HB3 H 1 1.326 0.001 . . . . . . 856 ALA QB . 15671 1 45 . 1 1 7 7 ALA CA C 13 52.588 0.039 . 1 . . . . 856 ALA CA . 15671 1 46 . 1 1 7 7 ALA CB C 13 19.739 0.139 . 1 . . . . 856 ALA CB . 15671 1 47 . 1 1 7 7 ALA N N 15 124.523 0.030 . 1 . . . . 856 ALA N . 15671 1 48 . 1 1 8 8 TYR H H 1 8.503 0.005 . 1 . . . . 857 TYR H . 15671 1 49 . 1 1 8 8 TYR HA H 1 4.531 0.003 . 1 . . . . 857 TYR HA . 15671 1 50 . 1 1 8 8 TYR HB2 H 1 2.858 0.004 . 2 . . . . 857 TYR HB2 . 15671 1 51 . 1 1 8 8 TYR HB3 H 1 3.654 0.005 . 2 . . . . 857 TYR HB3 . 15671 1 52 . 1 1 8 8 TYR HD1 H 1 7.063 0.003 . 3 . . . . 857 TYR QD . 15671 1 53 . 1 1 8 8 TYR HD2 H 1 7.063 0.003 . 3 . . . . 857 TYR QD . 15671 1 54 . 1 1 8 8 TYR HE1 H 1 6.853 0.002 . 3 . . . . 857 TYR QE . 15671 1 55 . 1 1 8 8 TYR HE2 H 1 6.853 0.002 . 3 . . . . 857 TYR QE . 15671 1 56 . 1 1 8 8 TYR CA C 13 58.131 0.080 . 1 . . . . 857 TYR CA . 15671 1 57 . 1 1 8 8 TYR CB C 13 37.735 0.070 . 1 . . . . 857 TYR CB . 15671 1 58 . 1 1 8 8 TYR CD1 C 13 133.206 0.005 . 3 . . . . 857 TYR CD1 . 15671 1 59 . 1 1 8 8 TYR CE1 C 13 118.161 0.024 . 3 . . . . 857 TYR CE1 . 15671 1 60 . 1 1 8 8 TYR N N 15 118.674 0.022 . 1 . . . . 857 TYR N . 15671 1 61 . 1 1 9 9 VAL H H 1 7.320 0.003 . 1 . . . . 858 VAL H . 15671 1 62 . 1 1 9 9 VAL HA H 1 4.361 0.005 . 1 . . . . 858 VAL HA . 15671 1 63 . 1 1 9 9 VAL HB H 1 1.673 0.002 . 1 . . . . 858 VAL HB . 15671 1 64 . 1 1 9 9 VAL HG11 H 1 0.492 0.001 . . . . . . 858 VAL QG1 . 15671 1 65 . 1 1 9 9 VAL HG12 H 1 0.492 0.001 . . . . . . 858 VAL QG1 . 15671 1 66 . 1 1 9 9 VAL HG13 H 1 0.492 0.001 . . . . . . 858 VAL QG1 . 15671 1 67 . 1 1 9 9 VAL HG21 H 1 0.365 0.001 . . . . . . 858 VAL QG2 . 15671 1 68 . 1 1 9 9 VAL HG22 H 1 0.365 0.001 . . . . . . 858 VAL QG2 . 15671 1 69 . 1 1 9 9 VAL HG23 H 1 0.365 0.001 . . . . . . 858 VAL QG2 . 15671 1 70 . 1 1 9 9 VAL CA C 13 61.519 0.115 . 1 . . . . 858 VAL CA . 15671 1 71 . 1 1 9 9 VAL CB C 13 33.707 0.038 . 1 . . . . 858 VAL CB . 15671 1 72 . 1 1 9 9 VAL CG1 C 13 20.364 0.008 . 2 . . . . 858 VAL CG1 . 15671 1 73 . 1 1 9 9 VAL CG2 C 13 20.558 0.015 . 2 . . . . 858 VAL CG2 . 15671 1 74 . 1 1 9 9 VAL N N 15 119.301 0.034 . 1 . . . . 858 VAL N . 15671 1 75 . 1 1 10 10 ILE H H 1 8.669 0.004 . 1 . . . . 859 ILE H . 15671 1 76 . 1 1 10 10 ILE HA H 1 4.366 0.005 . 1 . . . . 859 ILE HA . 15671 1 77 . 1 1 10 10 ILE HB H 1 1.849 0.002 . 1 . . . . 859 ILE HB . 15671 1 78 . 1 1 10 10 ILE HD11 H 1 0.805 0.002 . . . . . . 859 ILE QD1 . 15671 1 79 . 1 1 10 10 ILE HD12 H 1 0.805 0.002 . . . . . . 859 ILE QD1 . 15671 1 80 . 1 1 10 10 ILE HD13 H 1 0.805 0.002 . . . . . . 859 ILE QD1 . 15671 1 81 . 1 1 10 10 ILE HG12 H 1 1.331 0.004 . 2 . . . . 859 ILE HG12 . 15671 1 82 . 1 1 10 10 ILE HG13 H 1 1.037 0.006 . 2 . . . . 859 ILE HG13 . 15671 1 83 . 1 1 10 10 ILE HG21 H 1 0.809 0.002 . . . . . . 859 ILE QG2 . 15671 1 84 . 1 1 10 10 ILE HG22 H 1 0.809 0.002 . . . . . . 859 ILE QG2 . 15671 1 85 . 1 1 10 10 ILE HG23 H 1 0.809 0.002 . . . . . . 859 ILE QG2 . 15671 1 86 . 1 1 10 10 ILE CA C 13 60.094 0.078 . 1 . . . . 859 ILE CA . 15671 1 87 . 1 1 10 10 ILE CB C 13 40.242 0.115 . 1 . . . . 859 ILE CB . 15671 1 88 . 1 1 10 10 ILE CD1 C 13 13.278 0.004 . 1 . . . . 859 ILE CD1 . 15671 1 89 . 1 1 10 10 ILE CG1 C 13 26.911 0.065 . 1 . . . . 859 ILE CG1 . 15671 1 90 . 1 1 10 10 ILE CG2 C 13 17.757 0.031 . 1 . . . . 859 ILE CG2 . 15671 1 91 . 1 1 10 10 ILE N N 15 124.599 0.031 . 1 . . . . 859 ILE N . 15671 1 92 . 1 1 11 11 ARG H H 1 8.199 0.005 . 1 . . . . 860 ARG H . 15671 1 93 . 1 1 11 11 ARG HA H 1 5.160 0.003 . 1 . . . . 860 ARG HA . 15671 1 94 . 1 1 11 11 ARG HB2 H 1 1.588 0.002 . 2 . . . . 860 ARG QB . 15671 1 95 . 1 1 11 11 ARG HB3 H 1 1.588 0.002 . 2 . . . . 860 ARG QB . 15671 1 96 . 1 1 11 11 ARG HD2 H 1 3.038 0.004 . 2 . . . . 860 ARG QD . 15671 1 97 . 1 1 11 11 ARG HD3 H 1 3.038 0.004 . 2 . . . . 860 ARG QD . 15671 1 98 . 1 1 11 11 ARG HG2 H 1 1.465 0.006 . 2 . . . . 860 ARG HG2 . 15671 1 99 . 1 1 11 11 ARG HG3 H 1 1.390 0.001 . 2 . . . . 860 ARG HG3 . 15671 1 100 . 1 1 11 11 ARG CA C 13 54.230 0.084 . 1 . . . . 860 ARG CA . 15671 1 101 . 1 1 11 11 ARG CB C 13 33.050 0.040 . 1 . . . . 860 ARG CB . 15671 1 102 . 1 1 11 11 ARG CD C 13 43.329 0.011 . 1 . . . . 860 ARG CD . 15671 1 103 . 1 1 11 11 ARG CG C 13 27.668 0.027 . 1 . . . . 860 ARG CG . 15671 1 104 . 1 1 11 11 ARG N N 15 122.178 0.022 . 1 . . . . 860 ARG N . 15671 1 105 . 1 1 12 12 ASP H H 1 8.546 0.004 . 1 . . . . 861 ASP H . 15671 1 106 . 1 1 12 12 ASP HA H 1 4.613 0.002 . 1 . . . . 861 ASP HA . 15671 1 107 . 1 1 12 12 ASP HB2 H 1 2.724 0.005 . 2 . . . . 861 ASP HB2 . 15671 1 108 . 1 1 12 12 ASP HB3 H 1 3.304 0.002 . 2 . . . . 861 ASP HB3 . 15671 1 109 . 1 1 12 12 ASP CA C 13 52.663 0.014 . 1 . . . . 861 ASP CA . 15671 1 110 . 1 1 12 12 ASP CB C 13 41.515 0.050 . 1 . . . . 861 ASP CB . 15671 1 111 . 1 1 12 12 ASP N N 15 122.441 0.037 . 1 . . . . 861 ASP N . 15671 1 112 . 1 1 13 13 GLU H H 1 8.918 0.004 . 1 . . . . 862 GLU H . 15671 1 113 . 1 1 13 13 GLU HA H 1 3.942 0.004 . 1 . . . . 862 GLU HA . 15671 1 114 . 1 1 13 13 GLU HB2 H 1 1.513 0.002 . 2 . . . . 862 GLU HB2 . 15671 1 115 . 1 1 13 13 GLU HB3 H 1 1.412 0.004 . 2 . . . . 862 GLU HB3 . 15671 1 116 . 1 1 13 13 GLU HG2 H 1 1.253 0.010 . 2 . . . . 862 GLU QG . 15671 1 117 . 1 1 13 13 GLU HG3 H 1 1.253 0.010 . 2 . . . . 862 GLU QG . 15671 1 118 . 1 1 13 13 GLU CA C 13 58.121 0.043 . 1 . . . . 862 GLU CA . 15671 1 119 . 1 1 13 13 GLU CB C 13 28.675 0.084 . 1 . . . . 862 GLU CB . 15671 1 120 . 1 1 13 13 GLU CG C 13 34.895 0.022 . 1 . . . . 862 GLU CG . 15671 1 121 . 1 1 13 13 GLU N N 15 117.521 0.040 . 1 . . . . 862 GLU N . 15671 1 122 . 1 1 14 14 TRP H H 1 8.001 0.005 . 1 . . . . 863 TRP H . 15671 1 123 . 1 1 14 14 TRP HA H 1 4.760 0.004 . 1 . . . . 863 TRP HA . 15671 1 124 . 1 1 14 14 TRP HB2 H 1 3.179 0.003 . 2 . . . . 863 TRP HB2 . 15671 1 125 . 1 1 14 14 TRP HB3 H 1 3.556 0.002 . 2 . . . . 863 TRP HB3 . 15671 1 126 . 1 1 14 14 TRP HD1 H 1 7.257 0.003 . 1 . . . . 863 TRP HD1 . 15671 1 127 . 1 1 14 14 TRP HE1 H 1 10.070 0.003 . 1 . . . . 863 TRP HE1 . 15671 1 128 . 1 1 14 14 TRP HE3 H 1 7.665 0.003 . 1 . . . . 863 TRP HE3 . 15671 1 129 . 1 1 14 14 TRP HH2 H 1 7.220 0.004 . 1 . . . . 863 TRP HH2 . 15671 1 130 . 1 1 14 14 TRP HZ2 H 1 7.461 0.006 . 1 . . . . 863 TRP HZ2 . 15671 1 131 . 1 1 14 14 TRP HZ3 H 1 7.169 0.003 . 1 . . . . 863 TRP HZ3 . 15671 1 132 . 1 1 14 14 TRP CA C 13 57.033 0.026 . 1 . . . . 863 TRP CA . 15671 1 133 . 1 1 14 14 TRP CB C 13 29.102 0.079 . 1 . . . . 863 TRP CB . 15671 1 134 . 1 1 14 14 TRP CD1 C 13 126.963 0.061 . 1 . . . . 863 TRP CD1 . 15671 1 135 . 1 1 14 14 TRP CE3 C 13 120.733 0.000 . 1 . . . . 863 TRP CE3 . 15671 1 136 . 1 1 14 14 TRP CH2 C 13 124.748 0.000 . 1 . . . . 863 TRP CH2 . 15671 1 137 . 1 1 14 14 TRP CZ2 C 13 114.733 0.088 . 1 . . . . 863 TRP CZ2 . 15671 1 138 . 1 1 14 14 TRP CZ3 C 13 122.149 0.000 . 1 . . . . 863 TRP CZ3 . 15671 1 139 . 1 1 14 14 TRP N N 15 120.482 0.021 . 1 . . . . 863 TRP N . 15671 1 140 . 1 1 14 14 TRP NE1 N 15 129.131 0.009 . 1 . . . . 863 TRP NE1 . 15671 1 141 . 1 1 15 15 GLY H H 1 8.114 0.006 . 1 . . . . 864 GLY H . 15671 1 142 . 1 1 15 15 GLY HA2 H 1 4.327 0.005 . 2 . . . . 864 GLY HA2 . 15671 1 143 . 1 1 15 15 GLY HA3 H 1 3.630 0.001 . 2 . . . . 864 GLY HA3 . 15671 1 144 . 1 1 15 15 GLY CA C 13 45.312 0.021 . 1 . . . . 864 GLY CA . 15671 1 145 . 1 1 15 15 GLY N N 15 107.765 0.022 . 1 . . . . 864 GLY N . 15671 1 146 . 1 1 16 16 ASN H H 1 8.840 0.005 . 1 . . . . 865 ASN H . 15671 1 147 . 1 1 16 16 ASN HA H 1 4.766 0.005 . 1 . . . . 865 ASN HA . 15671 1 148 . 1 1 16 16 ASN HB2 H 1 3.031 0.003 . 2 . . . . 865 ASN HB2 . 15671 1 149 . 1 1 16 16 ASN HB3 H 1 2.722 0.003 . 2 . . . . 865 ASN HB3 . 15671 1 150 . 1 1 16 16 ASN HD21 H 1 8.848 0.001 . 2 . . . . 865 ASN HD21 . 15671 1 151 . 1 1 16 16 ASN HD22 H 1 7.281 0.001 . 2 . . . . 865 ASN HD22 . 15671 1 152 . 1 1 16 16 ASN CA C 13 53.269 0.027 . 1 . . . . 865 ASN CA . 15671 1 153 . 1 1 16 16 ASN CB C 13 38.815 0.030 . 1 . . . . 865 ASN CB . 15671 1 154 . 1 1 16 16 ASN N N 15 121.269 0.024 . 1 . . . . 865 ASN N . 15671 1 155 . 1 1 16 16 ASN ND2 N 15 118.532 0.014 . 1 . . . . 865 ASN ND2 . 15671 1 156 . 1 1 17 17 GLN H H 1 8.663 0.009 . 1 . . . . 866 GLN H . 15671 1 157 . 1 1 17 17 GLN HA H 1 4.565 0.007 . 1 . . . . 866 GLN HA . 15671 1 158 . 1 1 17 17 GLN HB2 H 1 1.467 0.003 . 2 . . . . 866 GLN HB2 . 15671 1 159 . 1 1 17 17 GLN HB3 H 1 1.782 0.004 . 2 . . . . 866 GLN HB3 . 15671 1 160 . 1 1 17 17 GLN HE21 H 1 6.804 0.005 . 2 . . . . 866 GLN HE21 . 15671 1 161 . 1 1 17 17 GLN HE22 H 1 6.856 0.005 . 2 . . . . 866 GLN HE22 . 15671 1 162 . 1 1 17 17 GLN HG2 H 1 1.550 0.008 . 2 . . . . 866 GLN HG2 . 15671 1 163 . 1 1 17 17 GLN HG3 H 1 2.061 0.004 . 2 . . . . 866 GLN HG3 . 15671 1 164 . 1 1 17 17 GLN CA C 13 56.172 0.086 . 1 . . . . 866 GLN CA . 15671 1 165 . 1 1 17 17 GLN CB C 13 30.152 0.082 . 1 . . . . 866 GLN CB . 15671 1 166 . 1 1 17 17 GLN CG C 13 34.373 0.031 . 1 . . . . 866 GLN CG . 15671 1 167 . 1 1 17 17 GLN N N 15 121.423 0.023 . 1 . . . . 866 GLN N . 15671 1 168 . 1 1 17 17 GLN NE2 N 15 111.320 0.024 . 1 . . . . 866 GLN NE2 . 15671 1 169 . 1 1 18 18 ILE H H 1 8.560 0.005 . 1 . . . . 867 ILE H . 15671 1 170 . 1 1 18 18 ILE HA H 1 4.481 0.003 . 1 . . . . 867 ILE HA . 15671 1 171 . 1 1 18 18 ILE HB H 1 1.700 0.003 . 1 . . . . 867 ILE HB . 15671 1 172 . 1 1 18 18 ILE HD11 H 1 0.857 0.004 . . . . . . 867 ILE QD1 . 15671 1 173 . 1 1 18 18 ILE HD12 H 1 0.857 0.004 . . . . . . 867 ILE QD1 . 15671 1 174 . 1 1 18 18 ILE HD13 H 1 0.857 0.004 . . . . . . 867 ILE QD1 . 15671 1 175 . 1 1 18 18 ILE HG12 H 1 1.435 0.003 . 2 . . . . 867 ILE HG12 . 15671 1 176 . 1 1 18 18 ILE HG13 H 1 1.132 0.002 . 2 . . . . 867 ILE HG13 . 15671 1 177 . 1 1 18 18 ILE HG21 H 1 0.972 0.002 . . . . . . 867 ILE QG2 . 15671 1 178 . 1 1 18 18 ILE HG22 H 1 0.972 0.002 . . . . . . 867 ILE QG2 . 15671 1 179 . 1 1 18 18 ILE HG23 H 1 0.972 0.002 . . . . . . 867 ILE QG2 . 15671 1 180 . 1 1 18 18 ILE CA C 13 60.093 0.077 . 1 . . . . 867 ILE CA . 15671 1 181 . 1 1 18 18 ILE CB C 13 40.590 0.073 . 1 . . . . 867 ILE CB . 15671 1 182 . 1 1 18 18 ILE CD1 C 13 13.233 0.013 . 1 . . . . 867 ILE CD1 . 15671 1 183 . 1 1 18 18 ILE CG1 C 13 27.220 0.010 . 1 . . . . 867 ILE CG1 . 15671 1 184 . 1 1 18 18 ILE CG2 C 13 17.644 0.020 . 1 . . . . 867 ILE CG2 . 15671 1 185 . 1 1 18 18 ILE N N 15 124.635 0.020 . 1 . . . . 867 ILE N . 15671 1 186 . 1 1 19 19 TRP H H 1 8.948 0.004 . 1 . . . . 868 TRP H . 15671 1 187 . 1 1 19 19 TRP HA H 1 4.803 0.009 . 1 . . . . 868 TRP HA . 15671 1 188 . 1 1 19 19 TRP HB2 H 1 2.813 0.004 . 2 . . . . 868 TRP HB2 . 15671 1 189 . 1 1 19 19 TRP HB3 H 1 3.046 0.003 . 2 . . . . 868 TRP HB3 . 15671 1 190 . 1 1 19 19 TRP HD1 H 1 7.764 0.004 . 1 . . . . 868 TRP HD1 . 15671 1 191 . 1 1 19 19 TRP HE1 H 1 10.571 0.004 . 1 . . . . 868 TRP HE1 . 15671 1 192 . 1 1 19 19 TRP HE3 H 1 7.865 0.003 . 1 . . . . 868 TRP HE3 . 15671 1 193 . 1 1 19 19 TRP HH2 H 1 7.154 0.003 . 1 . . . . 868 TRP HH2 . 15671 1 194 . 1 1 19 19 TRP HZ2 H 1 7.456 0.006 . 1 . . . . 868 TRP HZ2 . 15671 1 195 . 1 1 19 19 TRP HZ3 H 1 7.119 0.004 . 1 . . . . 868 TRP HZ3 . 15671 1 196 . 1 1 19 19 TRP CA C 13 59.161 0.088 . 1 . . . . 868 TRP CA . 15671 1 197 . 1 1 19 19 TRP CB C 13 31.670 0.063 . 1 . . . . 868 TRP CB . 15671 1 198 . 1 1 19 19 TRP CD1 C 13 128.404 0.049 . 1 . . . . 868 TRP CD1 . 15671 1 199 . 1 1 19 19 TRP CE3 C 13 122.105 0.000 . 1 . . . . 868 TRP CE3 . 15671 1 200 . 1 1 19 19 TRP CH2 C 13 124.440 0.000 . 1 . . . . 868 TRP CH2 . 15671 1 201 . 1 1 19 19 TRP CZ2 C 13 114.674 0.063 . 1 . . . . 868 TRP CZ2 . 15671 1 202 . 1 1 19 19 TRP N N 15 127.871 0.033 . 1 . . . . 868 TRP N . 15671 1 203 . 1 1 19 19 TRP NE1 N 15 130.308 0.013 . 1 . . . . 868 TRP NE1 . 15671 1 204 . 1 1 20 20 ILE H H 1 8.702 0.004 . 1 . . . . 869 ILE H . 15671 1 205 . 1 1 20 20 ILE HA H 1 4.087 0.004 . 1 . . . . 869 ILE HA . 15671 1 206 . 1 1 20 20 ILE HB H 1 1.794 0.002 . 1 . . . . 869 ILE HB . 15671 1 207 . 1 1 20 20 ILE HD11 H 1 0.636 0.003 . . . . . . 869 ILE QD1 . 15671 1 208 . 1 1 20 20 ILE HD12 H 1 0.636 0.003 . . . . . . 869 ILE QD1 . 15671 1 209 . 1 1 20 20 ILE HD13 H 1 0.636 0.003 . . . . . . 869 ILE QD1 . 15671 1 210 . 1 1 20 20 ILE HG12 H 1 1.329 0.003 . 2 . . . . 869 ILE HG12 . 15671 1 211 . 1 1 20 20 ILE HG13 H 1 1.086 0.004 . 2 . . . . 869 ILE HG13 . 15671 1 212 . 1 1 20 20 ILE HG21 H 1 0.627 0.002 . . . . . . 869 ILE QG2 . 15671 1 213 . 1 1 20 20 ILE HG22 H 1 0.627 0.002 . . . . . . 869 ILE QG2 . 15671 1 214 . 1 1 20 20 ILE HG23 H 1 0.627 0.002 . . . . . . 869 ILE QG2 . 15671 1 215 . 1 1 20 20 ILE CA C 13 58.467 0.007 . 1 . . . . 869 ILE CA . 15671 1 216 . 1 1 20 20 ILE CB C 13 39.108 0.007 . 1 . . . . 869 ILE CB . 15671 1 217 . 1 1 20 20 ILE CD1 C 13 11.278 0.024 . 1 . . . . 869 ILE CD1 . 15671 1 218 . 1 1 20 20 ILE CG1 C 13 27.142 0.023 . 1 . . . . 869 ILE CG1 . 15671 1 219 . 1 1 20 20 ILE CG2 C 13 17.153 0.020 . 1 . . . . 869 ILE CG2 . 15671 1 220 . 1 1 20 20 ILE N N 15 121.947 0.057 . 1 . . . . 869 ILE N . 15671 1 221 . 1 1 21 21 CYS H H 1 7.979 0.004 . . . . . . 870 CYS H . 15671 1 222 . 1 1 21 21 CYS HA H 1 5.252 0.003 . . . . . . 870 CYS HA . 15671 1 223 . 1 1 21 21 CYS HB2 H 1 1.941 0.004 . . . . . . 870 CYS HB2 . 15671 1 224 . 1 1 21 21 CYS HB3 H 1 3.568 0.004 . . . . . . 870 CYS HB3 . 15671 1 225 . 1 1 21 21 CYS CA C 13 55.646 0.026 . . . . . . 870 CYS CA . 15671 1 226 . 1 1 21 21 CYS CB C 13 32.443 0.014 . . . . . . 870 CYS CB . 15671 1 227 . 1 1 21 21 CYS N N 15 130.140 0.020 . . . . . . 870 CYS N . 15671 1 228 . 1 1 22 22 PRO HA H 1 4.208 0.003 . 1 . . . . 871 PRO HA . 15671 1 229 . 1 1 22 22 PRO HB2 H 1 1.989 0.005 . 2 . . . . 871 PRO HB2 . 15671 1 230 . 1 1 22 22 PRO HB3 H 1 1.711 0.004 . 2 . . . . 871 PRO HB3 . 15671 1 231 . 1 1 22 22 PRO HD2 H 1 1.518 0.003 . 2 . . . . 871 PRO HD2 . 15671 1 232 . 1 1 22 22 PRO HD3 H 1 4.408 0.006 . 2 . . . . 871 PRO HD3 . 15671 1 233 . 1 1 22 22 PRO HG2 H 1 1.459 0.005 . 2 . . . . 871 PRO HG2 . 15671 1 234 . 1 1 22 22 PRO HG3 H 1 1.101 0.003 . 2 . . . . 871 PRO HG3 . 15671 1 235 . 1 1 22 22 PRO CA C 13 63.157 0.086 . 1 . . . . 871 PRO CA . 15671 1 236 . 1 1 22 22 PRO CB C 13 31.835 0.087 . 1 . . . . 871 PRO CB . 15671 1 237 . 1 1 22 22 PRO CD C 13 50.768 0.015 . 1 . . . . 871 PRO CD . 15671 1 238 . 1 1 22 22 PRO CG C 13 27.879 0.002 . 1 . . . . 871 PRO CG . 15671 1 239 . 1 1 23 23 GLY H H 1 8.790 0.008 . 1 . . . . 872 GLY H . 15671 1 240 . 1 1 23 23 GLY HA2 H 1 4.271 0.002 . 2 . . . . 872 GLY HA2 . 15671 1 241 . 1 1 23 23 GLY HA3 H 1 3.859 0.003 . 2 . . . . 872 GLY HA3 . 15671 1 242 . 1 1 23 23 GLY CA C 13 46.228 0.043 . 1 . . . . 872 GLY CA . 15671 1 243 . 1 1 23 23 GLY N N 15 108.005 0.013 . 1 . . . . 872 GLY N . 15671 1 244 . 1 1 24 24 CYS H H 1 7.686 0.005 . . . . . . 873 CYS H . 15671 1 245 . 1 1 24 24 CYS HA H 1 5.079 0.004 . . . . . . 873 CYS HA . 15671 1 246 . 1 1 24 24 CYS HB2 H 1 3.224 0.001 . . . . . . 873 CYS HB2 . 15671 1 247 . 1 1 24 24 CYS HB3 H 1 3.259 0.003 . . . . . . 873 CYS HB3 . 15671 1 248 . 1 1 24 24 CYS CA C 13 57.457 0.067 . . . . . . 873 CYS CA . 15671 1 249 . 1 1 24 24 CYS CB C 13 32.356 0.079 . . . . . . 873 CYS CB . 15671 1 250 . 1 1 24 24 CYS N N 15 116.674 0.038 . . . . . . 873 CYS N . 15671 1 251 . 1 1 25 25 ASN H H 1 8.949 0.006 . 1 . . . . 874 ASN H . 15671 1 252 . 1 1 25 25 ASN HA H 1 4.413 0.003 . 1 . . . . 874 ASN HA . 15671 1 253 . 1 1 25 25 ASN HB2 H 1 2.925 0.003 . 2 . . . . 874 ASN HB2 . 15671 1 254 . 1 1 25 25 ASN HB3 H 1 3.170 0.003 . 2 . . . . 874 ASN HB3 . 15671 1 255 . 1 1 25 25 ASN HD21 H 1 7.502 0.001 . 2 . . . . 874 ASN HD21 . 15671 1 256 . 1 1 25 25 ASN HD22 H 1 6.784 0.002 . 2 . . . . 874 ASN HD22 . 15671 1 257 . 1 1 25 25 ASN CA C 13 55.424 0.086 . 1 . . . . 874 ASN CA . 15671 1 258 . 1 1 25 25 ASN CB C 13 37.901 0.070 . 1 . . . . 874 ASN CB . 15671 1 259 . 1 1 25 25 ASN N N 15 120.353 0.021 . 1 . . . . 874 ASN N . 15671 1 260 . 1 1 25 25 ASN ND2 N 15 112.094 0.028 . 1 . . . . 874 ASN ND2 . 15671 1 261 . 1 1 26 26 LYS H H 1 8.581 0.005 . 1 . . . . 875 LYS H . 15671 1 262 . 1 1 26 26 LYS HA H 1 5.040 0.004 . 1 . . . . 875 LYS HA . 15671 1 263 . 1 1 26 26 LYS HB2 H 1 2.421 0.005 . 2 . . . . 875 LYS HB2 . 15671 1 264 . 1 1 26 26 LYS HB3 H 1 2.093 0.004 . 2 . . . . 875 LYS HB3 . 15671 1 265 . 1 1 26 26 LYS HD2 H 1 1.762 0.005 . 2 . . . . 875 LYS QD . 15671 1 266 . 1 1 26 26 LYS HD3 H 1 1.762 0.005 . 2 . . . . 875 LYS QD . 15671 1 267 . 1 1 26 26 LYS HE2 H 1 3.079 0.004 . 2 . . . . 875 LYS QE . 15671 1 268 . 1 1 26 26 LYS HE3 H 1 3.079 0.004 . 2 . . . . 875 LYS QE . 15671 1 269 . 1 1 26 26 LYS HG2 H 1 1.491 0.007 . 2 . . . . 875 LYS HG2 . 15671 1 270 . 1 1 26 26 LYS HG3 H 1 1.668 0.004 . 2 . . . . 875 LYS HG3 . 15671 1 271 . 1 1 26 26 LYS CA C 13 53.909 0.021 . 1 . . . . 875 LYS CA . 15671 1 272 . 1 1 26 26 LYS CB C 13 33.027 0.051 . 1 . . . . 875 LYS CB . 15671 1 273 . 1 1 26 26 LYS CD C 13 28.988 0.036 . 1 . . . . 875 LYS CD . 15671 1 274 . 1 1 26 26 LYS CE C 13 42.451 0.049 . 1 . . . . 875 LYS CE . 15671 1 275 . 1 1 26 26 LYS CG C 13 25.017 0.015 . 1 . . . . 875 LYS CG . 15671 1 276 . 1 1 26 26 LYS N N 15 119.499 0.020 . 1 . . . . 875 LYS N . 15671 1 277 . 1 1 27 27 PRO HA H 1 5.087 0.003 . 1 . . . . 876 PRO HA . 15671 1 278 . 1 1 27 27 PRO HB2 H 1 2.207 0.004 . 2 . . . . 876 PRO HB2 . 15671 1 279 . 1 1 27 27 PRO HB3 H 1 2.047 0.004 . 2 . . . . 876 PRO HB3 . 15671 1 280 . 1 1 27 27 PRO HD2 H 1 3.840 0.002 . 2 . . . . 876 PRO HD2 . 15671 1 281 . 1 1 27 27 PRO HD3 H 1 3.748 0.002 . 2 . . . . 876 PRO HD3 . 15671 1 282 . 1 1 27 27 PRO HG2 H 1 1.978 0.003 . 2 . . . . 876 PRO QG . 15671 1 283 . 1 1 27 27 PRO HG3 H 1 1.978 0.003 . 2 . . . . 876 PRO QG . 15671 1 284 . 1 1 27 27 PRO CA C 13 62.288 0.012 . 1 . . . . 876 PRO CA . 15671 1 285 . 1 1 27 27 PRO CB C 13 33.497 0.044 . 1 . . . . 876 PRO CB . 15671 1 286 . 1 1 27 27 PRO CD C 13 50.954 0.007 . 1 . . . . 876 PRO CD . 15671 1 287 . 1 1 27 27 PRO CG C 13 27.200 0.004 . 1 . . . . 876 PRO CG . 15671 1 288 . 1 1 28 28 ASP H H 1 8.251 0.005 . 1 . . . . 877 ASP H . 15671 1 289 . 1 1 28 28 ASP HA H 1 4.559 0.007 . 1 . . . . 877 ASP HA . 15671 1 290 . 1 1 28 28 ASP HB2 H 1 2.589 0.003 . 2 . . . . 877 ASP HB2 . 15671 1 291 . 1 1 28 28 ASP HB3 H 1 3.025 0.009 . 2 . . . . 877 ASP HB3 . 15671 1 292 . 1 1 28 28 ASP CA C 13 54.850 0.021 . 1 . . . . 877 ASP CA . 15671 1 293 . 1 1 28 28 ASP CB C 13 42.555 0.089 . 1 . . . . 877 ASP CB . 15671 1 294 . 1 1 28 28 ASP N N 15 119.646 0.041 . 1 . . . . 877 ASP N . 15671 1 295 . 1 1 29 29 ASP H H 1 9.437 0.005 . 1 . . . . 878 ASP H . 15671 1 296 . 1 1 29 29 ASP HA H 1 4.843 0.007 . 1 . . . . 878 ASP HA . 15671 1 297 . 1 1 29 29 ASP HB2 H 1 3.166 0.003 . 2 . . . . 878 ASP HB2 . 15671 1 298 . 1 1 29 29 ASP HB3 H 1 2.596 0.002 . 2 . . . . 878 ASP HB3 . 15671 1 299 . 1 1 29 29 ASP CA C 13 52.561 0.049 . 1 . . . . 878 ASP CA . 15671 1 300 . 1 1 29 29 ASP CB C 13 41.321 0.021 . 1 . . . . 878 ASP CB . 15671 1 301 . 1 1 29 29 ASP N N 15 130.400 0.039 . 1 . . . . 878 ASP N . 15671 1 302 . 1 1 30 30 GLY H H 1 8.731 0.008 . 1 . . . . 879 GLY H . 15671 1 303 . 1 1 30 30 GLY HA2 H 1 4.378 0.001 . 2 . . . . 879 GLY HA2 . 15671 1 304 . 1 1 30 30 GLY HA3 H 1 3.783 0.003 . 2 . . . . 879 GLY HA3 . 15671 1 305 . 1 1 30 30 GLY CA C 13 45.369 0.032 . 1 . . . . 879 GLY CA . 15671 1 306 . 1 1 30 30 GLY N N 15 110.921 0.005 . 1 . . . . 879 GLY N . 15671 1 307 . 1 1 31 31 SER H H 1 8.334 0.004 . 1 . . . . 880 SER H . 15671 1 308 . 1 1 31 31 SER HA H 1 4.594 0.002 . 1 . . . . 880 SER HA . 15671 1 309 . 1 1 31 31 SER HB2 H 1 3.955 0.003 . 2 . . . . 880 SER HB2 . 15671 1 310 . 1 1 31 31 SER HB3 H 1 4.068 0.002 . 2 . . . . 880 SER HB3 . 15671 1 311 . 1 1 31 31 SER CA C 13 58.218 0.009 . 1 . . . . 880 SER CA . 15671 1 312 . 1 1 31 31 SER CB C 13 61.164 0.032 . 1 . . . . 880 SER CB . 15671 1 313 . 1 1 31 31 SER N N 15 118.131 0.042 . 1 . . . . 880 SER N . 15671 1 314 . 1 1 32 32 PRO HA H 1 4.488 0.004 . 1 . . . . 881 PRO HA . 15671 1 315 . 1 1 32 32 PRO HB2 H 1 0.295 0.002 . 2 . . . . 881 PRO HB2 . 15671 1 316 . 1 1 32 32 PRO HB3 H 1 -0.158 0.003 . 2 . . . . 881 PRO HB3 . 15671 1 317 . 1 1 32 32 PRO HD2 H 1 3.621 0.004 . 2 . . . . 881 PRO HD2 . 15671 1 318 . 1 1 32 32 PRO HD3 H 1 3.468 0.005 . 2 . . . . 881 PRO HD3 . 15671 1 319 . 1 1 32 32 PRO HG2 H 1 1.308 0.002 . 2 . . . . 881 PRO HG2 . 15671 1 320 . 1 1 32 32 PRO HG3 H 1 1.352 0.002 . 2 . . . . 881 PRO HG3 . 15671 1 321 . 1 1 32 32 PRO CA C 13 64.383 0.042 . 1 . . . . 881 PRO CA . 15671 1 322 . 1 1 32 32 PRO CB C 13 30.222 0.040 . 1 . . . . 881 PRO CB . 15671 1 323 . 1 1 32 32 PRO CD C 13 50.044 0.024 . 1 . . . . 881 PRO CD . 15671 1 324 . 1 1 32 32 PRO CG C 13 27.680 0.010 . 1 . . . . 881 PRO CG . 15671 1 325 . 1 1 33 33 MET H H 1 8.637 0.003 . 1 . . . . 882 MET H . 15671 1 326 . 1 1 33 33 MET HA H 1 5.717 0.003 . 1 . . . . 882 MET HA . 15671 1 327 . 1 1 33 33 MET HB2 H 1 2.370 0.005 . 2 . . . . 882 MET HB2 . 15671 1 328 . 1 1 33 33 MET HB3 H 1 1.787 0.005 . 2 . . . . 882 MET HB3 . 15671 1 329 . 1 1 33 33 MET HE1 H 1 1.437 0.001 . . . . . . 882 MET QE . 15671 1 330 . 1 1 33 33 MET HE2 H 1 1.437 0.001 . . . . . . 882 MET QE . 15671 1 331 . 1 1 33 33 MET HE3 H 1 1.437 0.001 . . . . . . 882 MET QE . 15671 1 332 . 1 1 33 33 MET HG2 H 1 1.939 0.004 . 2 . . . . 882 MET HG2 . 15671 1 333 . 1 1 33 33 MET HG3 H 1 2.993 0.002 . 2 . . . . 882 MET HG3 . 15671 1 334 . 1 1 33 33 MET CA C 13 54.753 0.035 . 1 . . . . 882 MET CA . 15671 1 335 . 1 1 33 33 MET CB C 13 42.358 0.024 . 1 . . . . 882 MET CB . 15671 1 336 . 1 1 33 33 MET CE C 13 17.741 0.005 . 1 . . . . 882 MET CE . 15671 1 337 . 1 1 33 33 MET CG C 13 34.667 0.035 . 1 . . . . 882 MET CG . 15671 1 338 . 1 1 33 33 MET N N 15 119.268 0.053 . 1 . . . . 882 MET N . 15671 1 339 . 1 1 34 34 ILE H H 1 9.824 0.009 . 1 . . . . 883 ILE H . 15671 1 340 . 1 1 34 34 ILE HA H 1 5.199 0.002 . 1 . . . . 883 ILE HA . 15671 1 341 . 1 1 34 34 ILE HB H 1 1.146 0.003 . 1 . . . . 883 ILE HB . 15671 1 342 . 1 1 34 34 ILE HD11 H 1 -0.399 0.003 . . . . . . 883 ILE QD1 . 15671 1 343 . 1 1 34 34 ILE HD12 H 1 -0.399 0.003 . . . . . . 883 ILE QD1 . 15671 1 344 . 1 1 34 34 ILE HD13 H 1 -0.399 0.003 . . . . . . 883 ILE QD1 . 15671 1 345 . 1 1 34 34 ILE HG12 H 1 1.345 0.000 . 2 . . . . 883 ILE HG12 . 15671 1 346 . 1 1 34 34 ILE HG13 H 1 0.362 0.003 . 2 . . . . 883 ILE HG13 . 15671 1 347 . 1 1 34 34 ILE HG21 H 1 -0.274 0.005 . . . . . . 883 ILE QG2 . 15671 1 348 . 1 1 34 34 ILE HG22 H 1 -0.274 0.005 . . . . . . 883 ILE QG2 . 15671 1 349 . 1 1 34 34 ILE HG23 H 1 -0.274 0.005 . . . . . . 883 ILE QG2 . 15671 1 350 . 1 1 34 34 ILE CA C 13 59.472 0.126 . 1 . . . . 883 ILE CA . 15671 1 351 . 1 1 34 34 ILE CB C 13 43.191 0.025 . 1 . . . . 883 ILE CB . 15671 1 352 . 1 1 34 34 ILE CD1 C 13 14.845 0.011 . 1 . . . . 883 ILE CD1 . 15671 1 353 . 1 1 34 34 ILE CG1 C 13 27.352 0.014 . 1 . . . . 883 ILE CG1 . 15671 1 354 . 1 1 34 34 ILE CG2 C 13 12.685 0.011 . 1 . . . . 883 ILE CG2 . 15671 1 355 . 1 1 34 34 ILE N N 15 125.246 0.048 . 1 . . . . 883 ILE N . 15671 1 356 . 1 1 35 35 GLY H H 1 7.558 0.005 . 1 . . . . 884 GLY H . 15671 1 357 . 1 1 35 35 GLY HA2 H 1 3.697 0.003 . 2 . . . . 884 GLY HA2 . 15671 1 358 . 1 1 35 35 GLY HA3 H 1 1.044 0.003 . 2 . . . . 884 GLY HA3 . 15671 1 359 . 1 1 35 35 GLY CA C 13 42.848 0.030 . 1 . . . . 884 GLY CA . 15671 1 360 . 1 1 35 35 GLY N N 15 115.216 0.048 . 1 . . . . 884 GLY N . 15671 1 361 . 1 1 36 36 CYS H H 1 8.724 0.004 . . . . . . 885 CYS H . 15671 1 362 . 1 1 36 36 CYS HA H 1 4.547 0.004 . . . . . . 885 CYS HA . 15671 1 363 . 1 1 36 36 CYS HB2 H 1 3.526 0.006 . . . . . . 885 CYS HB2 . 15671 1 364 . 1 1 36 36 CYS HB3 H 1 2.834 0.004 . . . . . . 885 CYS HB3 . 15671 1 365 . 1 1 36 36 CYS CA C 13 60.279 0.054 . . . . . . 885 CYS CA . 15671 1 366 . 1 1 36 36 CYS CB C 13 31.492 0.114 . . . . . . 885 CYS CB . 15671 1 367 . 1 1 36 36 CYS N N 15 126.228 0.040 . . . . . . 885 CYS N . 15671 1 368 . 1 1 37 37 ASP H H 1 9.144 0.005 . 1 . . . . 886 ASP H . 15671 1 369 . 1 1 37 37 ASP HA H 1 4.739 0.005 . 1 . . . . 886 ASP HA . 15671 1 370 . 1 1 37 37 ASP HB2 H 1 1.890 0.002 . 2 . . . . 886 ASP HB2 . 15671 1 371 . 1 1 37 37 ASP HB3 H 1 2.749 0.003 . 2 . . . . 886 ASP HB3 . 15671 1 372 . 1 1 37 37 ASP CA C 13 57.594 0.095 . 1 . . . . 886 ASP CA . 15671 1 373 . 1 1 37 37 ASP CB C 13 41.263 0.034 . 1 . . . . 886 ASP CB . 15671 1 374 . 1 1 37 37 ASP N N 15 129.754 0.029 . 1 . . . . 886 ASP N . 15671 1 375 . 1 1 38 38 ASP H H 1 9.652 0.006 . 1 . . . . 887 ASP H . 15671 1 376 . 1 1 38 38 ASP HA H 1 5.155 0.003 . 1 . . . . 887 ASP HA . 15671 1 377 . 1 1 38 38 ASP HB2 H 1 2.649 0.007 . 2 . . . . 887 ASP HB2 . 15671 1 378 . 1 1 38 38 ASP HB3 H 1 3.795 0.002 . 2 . . . . 887 ASP HB3 . 15671 1 379 . 1 1 38 38 ASP CA C 13 56.255 0.127 . 1 . . . . 887 ASP CA . 15671 1 380 . 1 1 38 38 ASP CB C 13 43.317 0.041 . 1 . . . . 887 ASP CB . 15671 1 381 . 1 1 38 38 ASP N N 15 123.885 0.019 . 1 . . . . 887 ASP N . 15671 1 382 . 1 1 39 39 CYS H H 1 8.257 0.006 . . . . . . 888 CYS H . 15671 1 383 . 1 1 39 39 CYS HA H 1 4.697 0.005 . . . . . . 888 CYS HA . 15671 1 384 . 1 1 39 39 CYS HB2 H 1 3.298 0.002 . . . . . . 888 CYS HB2 . 15671 1 385 . 1 1 39 39 CYS HB3 H 1 2.768 0.004 . . . . . . 888 CYS HB3 . 15671 1 386 . 1 1 39 39 CYS CA C 13 60.392 0.043 . . . . . . 888 CYS CA . 15671 1 387 . 1 1 39 39 CYS CB C 13 32.199 0.053 . . . . . . 888 CYS CB . 15671 1 388 . 1 1 39 39 CYS N N 15 119.447 0.032 . . . . . . 888 CYS N . 15671 1 389 . 1 1 40 40 ASP H H 1 7.874 0.004 . 1 . . . . 889 ASP H . 15671 1 390 . 1 1 40 40 ASP HA H 1 4.973 0.010 . 1 . . . . 889 ASP HA . 15671 1 391 . 1 1 40 40 ASP HB2 H 1 3.349 0.004 . 2 . . . . 889 ASP HB2 . 15671 1 392 . 1 1 40 40 ASP HB3 H 1 2.649 0.007 . 2 . . . . 889 ASP HB3 . 15671 1 393 . 1 1 40 40 ASP CA C 13 56.256 0.171 . 1 . . . . 889 ASP CA . 15671 1 394 . 1 1 40 40 ASP CB C 13 42.159 0.026 . 1 . . . . 889 ASP CB . 15671 1 395 . 1 1 40 40 ASP N N 15 119.322 0.013 . 1 . . . . 889 ASP N . 15671 1 396 . 1 1 41 41 ASP H H 1 8.736 0.004 . 1 . . . . 890 ASP H . 15671 1 397 . 1 1 41 41 ASP HA H 1 5.204 0.004 . 1 . . . . 890 ASP HA . 15671 1 398 . 1 1 41 41 ASP HB2 H 1 2.583 0.005 . 2 . . . . 890 ASP HB2 . 15671 1 399 . 1 1 41 41 ASP HB3 H 1 3.054 0.002 . 2 . . . . 890 ASP HB3 . 15671 1 400 . 1 1 41 41 ASP CA C 13 56.153 0.136 . 1 . . . . 890 ASP CA . 15671 1 401 . 1 1 41 41 ASP CB C 13 42.613 0.090 . 1 . . . . 890 ASP CB . 15671 1 402 . 1 1 41 41 ASP N N 15 120.665 0.025 . 1 . . . . 890 ASP N . 15671 1 403 . 1 1 42 42 TRP H H 1 9.211 0.004 . 1 . . . . 891 TRP H . 15671 1 404 . 1 1 42 42 TRP HA H 1 5.402 0.003 . 1 . . . . 891 TRP HA . 15671 1 405 . 1 1 42 42 TRP HB2 H 1 2.846 0.004 . 2 . . . . 891 TRP HB2 . 15671 1 406 . 1 1 42 42 TRP HB3 H 1 2.713 0.008 . 2 . . . . 891 TRP HB3 . 15671 1 407 . 1 1 42 42 TRP HD1 H 1 7.420 0.004 . 1 . . . . 891 TRP HD1 . 15671 1 408 . 1 1 42 42 TRP HE1 H 1 10.001 0.003 . 1 . . . . 891 TRP HE1 . 15671 1 409 . 1 1 42 42 TRP HE3 H 1 7.028 0.002 . 1 . . . . 891 TRP HE3 . 15671 1 410 . 1 1 42 42 TRP HH2 H 1 6.778 0.005 . 1 . . . . 891 TRP HH2 . 15671 1 411 . 1 1 42 42 TRP HZ2 H 1 7.287 0.003 . 1 . . . . 891 TRP HZ2 . 15671 1 412 . 1 1 42 42 TRP HZ3 H 1 6.557 0.003 . 1 . . . . 891 TRP HZ3 . 15671 1 413 . 1 1 42 42 TRP CA C 13 56.738 0.022 . 1 . . . . 891 TRP CA . 15671 1 414 . 1 1 42 42 TRP CB C 13 31.376 0.081 . 1 . . . . 891 TRP CB . 15671 1 415 . 1 1 42 42 TRP CD1 C 13 128.786 0.064 . 1 . . . . 891 TRP CD1 . 15671 1 416 . 1 1 42 42 TRP CE3 C 13 119.012 0.010 . 1 . . . . 891 TRP CE3 . 15671 1 417 . 1 1 42 42 TRP CH2 C 13 123.612 0.039 . 1 . . . . 891 TRP CH2 . 15671 1 418 . 1 1 42 42 TRP CZ2 C 13 114.588 0.047 . 1 . . . . 891 TRP CZ2 . 15671 1 419 . 1 1 42 42 TRP CZ3 C 13 121.730 0.024 . 1 . . . . 891 TRP CZ3 . 15671 1 420 . 1 1 42 42 TRP N N 15 120.295 0.028 . 1 . . . . 891 TRP N . 15671 1 421 . 1 1 42 42 TRP NE1 N 15 130.833 0.010 . 1 . . . . 891 TRP NE1 . 15671 1 422 . 1 1 43 43 TYR H H 1 9.187 0.006 . 1 . . . . 892 TYR H . 15671 1 423 . 1 1 43 43 TYR HA H 1 5.724 0.005 . 1 . . . . 892 TYR HA . 15671 1 424 . 1 1 43 43 TYR HB2 H 1 2.962 0.005 . 2 . . . . 892 TYR HB2 . 15671 1 425 . 1 1 43 43 TYR HB3 H 1 2.683 0.007 . 2 . . . . 892 TYR HB3 . 15671 1 426 . 1 1 43 43 TYR HD1 H 1 7.020 0.000 . 3 . . . . 892 TYR QD . 15671 1 427 . 1 1 43 43 TYR HD2 H 1 7.020 0.000 . 3 . . . . 892 TYR QD . 15671 1 428 . 1 1 43 43 TYR HE1 H 1 6.851 0.000 . 3 . . . . 892 TYR QE . 15671 1 429 . 1 1 43 43 TYR HE2 H 1 6.851 0.000 . 3 . . . . 892 TYR QE . 15671 1 430 . 1 1 43 43 TYR CA C 13 54.706 0.014 . 1 . . . . 892 TYR CA . 15671 1 431 . 1 1 43 43 TYR CB C 13 43.418 0.098 . 1 . . . . 892 TYR CB . 15671 1 432 . 1 1 43 43 TYR N N 15 116.363 0.036 . 1 . . . . 892 TYR N . 15671 1 433 . 1 1 44 44 HIS H H 1 9.252 0.005 . . . . . . 893 HIS H . 15671 1 434 . 1 1 44 44 HIS HA H 1 5.046 0.002 . . . . . . 893 HIS HA . 15671 1 435 . 1 1 44 44 HIS HB2 H 1 4.406 0.004 . . . . . . 893 HIS HB2 . 15671 1 436 . 1 1 44 44 HIS HB3 H 1 3.771 0.006 . . . . . . 893 HIS HB3 . 15671 1 437 . 1 1 44 44 HIS HD2 H 1 7.570 0.003 . . . . . . 893 HIS HD2 . 15671 1 438 . 1 1 44 44 HIS HE1 H 1 7.521 0.002 . . . . . . 893 HIS HE1 . 15671 1 439 . 1 1 44 44 HIS HE2 H 1 10.577 0.004 . . . . . . 893 HIS HE2 . 15671 1 440 . 1 1 44 44 HIS CA C 13 58.476 0.018 . . . . . . 893 HIS CA . 15671 1 441 . 1 1 44 44 HIS CB C 13 31.256 0.051 . . . . . . 893 HIS CB . 15671 1 442 . 1 1 44 44 HIS CD2 C 13 119.379 0.001 . . . . . . 893 HIS CD2 . 15671 1 443 . 1 1 44 44 HIS CE1 C 13 139.470 0.010 . . . . . . 893 HIS CE1 . 15671 1 444 . 1 1 44 44 HIS N N 15 120.765 0.046 . . . . . . 893 HIS N . 15671 1 445 . 1 1 44 44 HIS ND1 N 15 164.391 0.000 . . . . . . 893 HIS ND1 . 15671 1 446 . 1 1 45 45 TRP H H 1 8.283 0.005 . 1 . . . . 894 TRP H . 15671 1 447 . 1 1 45 45 TRP HA H 1 4.421 0.003 . 1 . . . . 894 TRP HA . 15671 1 448 . 1 1 45 45 TRP HB2 H 1 3.819 0.003 . 2 . . . . 894 TRP HB2 . 15671 1 449 . 1 1 45 45 TRP HB3 H 1 3.186 0.002 . 2 . . . . 894 TRP HB3 . 15671 1 450 . 1 1 45 45 TRP HD1 H 1 6.453 0.006 . 1 . . . . 894 TRP HD1 . 15671 1 451 . 1 1 45 45 TRP HE1 H 1 8.001 0.002 . 1 . . . . 894 TRP HE1 . 15671 1 452 . 1 1 45 45 TRP HE3 H 1 7.303 0.004 . 1 . . . . 894 TRP HE3 . 15671 1 453 . 1 1 45 45 TRP HH2 H 1 7.245 0.003 . 1 . . . . 894 TRP HH2 . 15671 1 454 . 1 1 45 45 TRP HZ2 H 1 7.168 0.003 . 1 . . . . 894 TRP HZ2 . 15671 1 455 . 1 1 45 45 TRP HZ3 H 1 7.008 0.003 . 1 . . . . 894 TRP HZ3 . 15671 1 456 . 1 1 45 45 TRP CA C 13 61.077 0.021 . 1 . . . . 894 TRP CA . 15671 1 457 . 1 1 45 45 TRP CB C 13 25.480 0.018 . 1 . . . . 894 TRP CB . 15671 1 458 . 1 1 45 45 TRP CD1 C 13 120.913 0.000 . 1 . . . . 894 TRP CD1 . 15671 1 459 . 1 1 45 45 TRP CE3 C 13 121.764 0.011 . 1 . . . . 894 TRP CE3 . 15671 1 460 . 1 1 45 45 TRP CH2 C 13 125.900 0.144 . 1 . . . . 894 TRP CH2 . 15671 1 461 . 1 1 45 45 TRP CZ2 C 13 112.254 0.069 . 1 . . . . 894 TRP CZ2 . 15671 1 462 . 1 1 45 45 TRP CZ3 C 13 121.635 0.084 . 1 . . . . 894 TRP CZ3 . 15671 1 463 . 1 1 45 45 TRP N N 15 122.268 0.037 . 1 . . . . 894 TRP N . 15671 1 464 . 1 1 45 45 TRP NE1 N 15 121.998 0.008 . 1 . . . . 894 TRP NE1 . 15671 1 465 . 1 1 46 46 PRO HA H 1 4.534 0.004 . 1 . . . . 895 PRO HA . 15671 1 466 . 1 1 46 46 PRO HB2 H 1 2.081 0.003 . 2 . . . . 895 PRO HB2 . 15671 1 467 . 1 1 46 46 PRO HB3 H 1 2.467 0.004 . 2 . . . . 895 PRO HB3 . 15671 1 468 . 1 1 46 46 PRO HD2 H 1 4.252 0.003 . 2 . . . . 895 PRO HD2 . 15671 1 469 . 1 1 46 46 PRO HD3 H 1 4.028 0.005 . 2 . . . . 895 PRO HD3 . 15671 1 470 . 1 1 46 46 PRO HG2 H 1 2.143 0.003 . 2 . . . . 895 PRO HG2 . 15671 1 471 . 1 1 46 46 PRO HG3 H 1 2.220 0.004 . 2 . . . . 895 PRO HG3 . 15671 1 472 . 1 1 46 46 PRO CA C 13 65.799 0.014 . 1 . . . . 895 PRO CA . 15671 1 473 . 1 1 46 46 PRO CB C 13 30.719 0.093 . 1 . . . . 895 PRO CB . 15671 1 474 . 1 1 46 46 PRO CD C 13 50.999 0.012 . 1 . . . . 895 PRO CD . 15671 1 475 . 1 1 46 46 PRO CG C 13 28.395 0.071 . 1 . . . . 895 PRO CG . 15671 1 476 . 1 1 47 47 CYS H H 1 7.303 0.006 . . . . . . 896 CYS H . 15671 1 477 . 1 1 47 47 CYS HA H 1 4.283 0.004 . . . . . . 896 CYS HA . 15671 1 478 . 1 1 47 47 CYS HB2 H 1 3.623 0.003 . . . . . . 896 CYS HB2 . 15671 1 479 . 1 1 47 47 CYS HB3 H 1 3.281 0.003 . . . . . . 896 CYS HB3 . 15671 1 480 . 1 1 47 47 CYS CA C 13 62.965 0.044 . . . . . . 896 CYS CA . 15671 1 481 . 1 1 47 47 CYS CB C 13 29.062 0.103 . . . . . . 896 CYS CB . 15671 1 482 . 1 1 47 47 CYS N N 15 117.589 0.028 . . . . . . 896 CYS N . 15671 1 483 . 1 1 48 48 VAL H H 1 7.589 0.006 . 1 . . . . 897 VAL H . 15671 1 484 . 1 1 48 48 VAL HA H 1 4.730 0.004 . 1 . . . . 897 VAL HA . 15671 1 485 . 1 1 48 48 VAL HB H 1 2.762 0.003 . 1 . . . . 897 VAL HB . 15671 1 486 . 1 1 48 48 VAL HG11 H 1 0.719 0.002 . . . . . . 897 VAL QG1 . 15671 1 487 . 1 1 48 48 VAL HG12 H 1 0.719 0.002 . . . . . . 897 VAL QG1 . 15671 1 488 . 1 1 48 48 VAL HG13 H 1 0.719 0.002 . . . . . . 897 VAL QG1 . 15671 1 489 . 1 1 48 48 VAL HG21 H 1 0.721 0.001 . . . . . . 897 VAL QG2 . 15671 1 490 . 1 1 48 48 VAL HG22 H 1 0.721 0.001 . . . . . . 897 VAL QG2 . 15671 1 491 . 1 1 48 48 VAL HG23 H 1 0.721 0.001 . . . . . . 897 VAL QG2 . 15671 1 492 . 1 1 48 48 VAL CA C 13 60.135 0.065 . 1 . . . . 897 VAL CA . 15671 1 493 . 1 1 48 48 VAL CB C 13 31.672 0.133 . 1 . . . . 897 VAL CB . 15671 1 494 . 1 1 48 48 VAL CG1 C 13 23.843 0.013 . 2 . . . . 897 VAL CG1 . 15671 1 495 . 1 1 48 48 VAL CG2 C 13 18.168 0.027 . 2 . . . . 897 VAL CG2 . 15671 1 496 . 1 1 48 48 VAL N N 15 108.649 0.027 . 1 . . . . 897 VAL N . 15671 1 497 . 1 1 49 49 GLY H H 1 7.504 0.008 . 1 . . . . 898 GLY H . 15671 1 498 . 1 1 49 49 GLY HA2 H 1 3.998 0.002 . 2 . . . . 898 GLY HA2 . 15671 1 499 . 1 1 49 49 GLY HA3 H 1 3.856 0.003 . 2 . . . . 898 GLY HA3 . 15671 1 500 . 1 1 49 49 GLY CA C 13 47.008 0.025 . 1 . . . . 898 GLY CA . 15671 1 501 . 1 1 49 49 GLY N N 15 108.886 0.010 . 1 . . . . 898 GLY N . 15671 1 502 . 1 1 50 50 ILE H H 1 7.803 0.006 . 1 . . . . 899 ILE H . 15671 1 503 . 1 1 50 50 ILE HA H 1 4.095 0.004 . 1 . . . . 899 ILE HA . 15671 1 504 . 1 1 50 50 ILE HB H 1 1.359 0.004 . 1 . . . . 899 ILE HB . 15671 1 505 . 1 1 50 50 ILE HD11 H 1 0.131 0.002 . . . . . . 899 ILE QD1 . 15671 1 506 . 1 1 50 50 ILE HD12 H 1 0.131 0.002 . . . . . . 899 ILE QD1 . 15671 1 507 . 1 1 50 50 ILE HD13 H 1 0.131 0.002 . . . . . . 899 ILE QD1 . 15671 1 508 . 1 1 50 50 ILE HG12 H 1 0.957 0.004 . 2 . . . . 899 ILE HG12 . 15671 1 509 . 1 1 50 50 ILE HG13 H 1 0.768 0.004 . 2 . . . . 899 ILE HG13 . 15671 1 510 . 1 1 50 50 ILE HG21 H 1 -0.136 0.002 . . . . . . 899 ILE QG2 . 15671 1 511 . 1 1 50 50 ILE HG22 H 1 -0.136 0.002 . . . . . . 899 ILE QG2 . 15671 1 512 . 1 1 50 50 ILE HG23 H 1 -0.136 0.002 . . . . . . 899 ILE QG2 . 15671 1 513 . 1 1 50 50 ILE CA C 13 59.671 0.063 . 1 . . . . 899 ILE CA . 15671 1 514 . 1 1 50 50 ILE CB C 13 37.790 0.063 . 1 . . . . 899 ILE CB . 15671 1 515 . 1 1 50 50 ILE CD1 C 13 11.016 0.008 . 1 . . . . 899 ILE CD1 . 15671 1 516 . 1 1 50 50 ILE CG1 C 13 26.560 0.017 . 1 . . . . 899 ILE CG1 . 15671 1 517 . 1 1 50 50 ILE CG2 C 13 16.298 0.010 . 1 . . . . 899 ILE CG2 . 15671 1 518 . 1 1 50 50 ILE N N 15 120.019 0.027 . 1 . . . . 899 ILE N . 15671 1 519 . 1 1 51 51 MET H H 1 8.755 0.006 . 1 . . . . 900 MET H . 15671 1 520 . 1 1 51 51 MET HA H 1 4.715 0.004 . 1 . . . . 900 MET HA . 15671 1 521 . 1 1 51 51 MET HB2 H 1 2.199 0.003 . 2 . . . . 900 MET HB2 . 15671 1 522 . 1 1 51 51 MET HB3 H 1 1.916 0.003 . 2 . . . . 900 MET HB3 . 15671 1 523 . 1 1 51 51 MET HG2 H 1 2.479 0.002 . 2 . . . . 900 MET HG2 . 15671 1 524 . 1 1 51 51 MET HG3 H 1 2.634 0.004 . 2 . . . . 900 MET HG3 . 15671 1 525 . 1 1 51 51 MET CA C 13 54.754 0.031 . 1 . . . . 900 MET CA . 15671 1 526 . 1 1 51 51 MET CB C 13 33.662 0.087 . 1 . . . . 900 MET CB . 15671 1 527 . 1 1 51 51 MET CG C 13 32.262 0.051 . 1 . . . . 900 MET CG . 15671 1 528 . 1 1 51 51 MET N N 15 123.503 0.065 . 1 . . . . 900 MET N . 15671 1 529 . 1 1 52 52 ALA H H 1 7.262 0.010 . 1 . . . . 901 ALA H . 15671 1 530 . 1 1 52 52 ALA HA H 1 4.371 0.004 . 1 . . . . 901 ALA HA . 15671 1 531 . 1 1 52 52 ALA HB1 H 1 1.252 0.001 . . . . . . 901 ALA QB . 15671 1 532 . 1 1 52 52 ALA HB2 H 1 1.252 0.001 . . . . . . 901 ALA QB . 15671 1 533 . 1 1 52 52 ALA HB3 H 1 1.252 0.001 . . . . . . 901 ALA QB . 15671 1 534 . 1 1 52 52 ALA CA C 13 50.607 0.047 . 1 . . . . 901 ALA CA . 15671 1 535 . 1 1 52 52 ALA CB C 13 21.427 0.124 . 1 . . . . 901 ALA CB . 15671 1 536 . 1 1 52 52 ALA N N 15 121.425 0.032 . 1 . . . . 901 ALA N . 15671 1 537 . 1 1 53 53 ALA H H 1 8.562 0.006 . 1 . . . . 902 ALA H . 15671 1 538 . 1 1 53 53 ALA HA H 1 3.522 0.004 . 1 . . . . 902 ALA HA . 15671 1 539 . 1 1 53 53 ALA HB1 H 1 1.368 0.002 . . . . . . 902 ALA QB . 15671 1 540 . 1 1 53 53 ALA HB2 H 1 1.368 0.002 . . . . . . 902 ALA QB . 15671 1 541 . 1 1 53 53 ALA HB3 H 1 1.368 0.002 . . . . . . 902 ALA QB . 15671 1 542 . 1 1 53 53 ALA CA C 13 50.709 0.008 . 1 . . . . 902 ALA CA . 15671 1 543 . 1 1 53 53 ALA CB C 13 17.455 0.009 . 1 . . . . 902 ALA CB . 15671 1 544 . 1 1 53 53 ALA N N 15 124.289 0.021 . 1 . . . . 902 ALA N . 15671 1 545 . 1 1 54 54 PRO HA H 1 4.622 0.002 . 1 . . . . 903 PRO HA . 15671 1 546 . 1 1 54 54 PRO HB2 H 1 1.603 0.005 . 2 . . . . 903 PRO HB2 . 15671 1 547 . 1 1 54 54 PRO HB3 H 1 2.457 0.001 . 2 . . . . 903 PRO HB3 . 15671 1 548 . 1 1 54 54 PRO HD2 H 1 3.068 0.004 . 2 . . . . 903 PRO HD2 . 15671 1 549 . 1 1 54 54 PRO HD3 H 1 3.168 0.003 . 2 . . . . 903 PRO HD3 . 15671 1 550 . 1 1 54 54 PRO HG2 H 1 1.526 0.005 . 2 . . . . 903 PRO HG2 . 15671 1 551 . 1 1 54 54 PRO HG3 H 1 1.639 0.007 . 2 . . . . 903 PRO HG3 . 15671 1 552 . 1 1 54 54 PRO CA C 13 61.157 0.012 . 1 . . . . 903 PRO CA . 15671 1 553 . 1 1 54 54 PRO CB C 13 30.282 0.025 . 1 . . . . 903 PRO CB . 15671 1 554 . 1 1 54 54 PRO CD C 13 49.895 0.012 . 1 . . . . 903 PRO CD . 15671 1 555 . 1 1 54 54 PRO CG C 13 27.127 0.026 . 1 . . . . 903 PRO CG . 15671 1 556 . 1 1 55 55 PRO HA H 1 4.403 0.003 . 1 . . . . 904 PRO HA . 15671 1 557 . 1 1 55 55 PRO HB2 H 1 1.787 0.004 . 2 . . . . 904 PRO HB2 . 15671 1 558 . 1 1 55 55 PRO HB3 H 1 2.493 0.002 . 2 . . . . 904 PRO HB3 . 15671 1 559 . 1 1 55 55 PRO HD2 H 1 3.838 0.005 . 2 . . . . 904 PRO HD2 . 15671 1 560 . 1 1 55 55 PRO HD3 H 1 3.585 0.003 . 2 . . . . 904 PRO HD3 . 15671 1 561 . 1 1 55 55 PRO HG2 H 1 2.052 0.004 . 2 . . . . 904 PRO HG2 . 15671 1 562 . 1 1 55 55 PRO HG3 H 1 2.136 0.004 . 2 . . . . 904 PRO HG3 . 15671 1 563 . 1 1 55 55 PRO CA C 13 63.536 0.079 . 1 . . . . 904 PRO CA . 15671 1 564 . 1 1 55 55 PRO CB C 13 32.123 0.083 . 1 . . . . 904 PRO CB . 15671 1 565 . 1 1 55 55 PRO CD C 13 50.455 0.010 . 1 . . . . 904 PRO CD . 15671 1 566 . 1 1 55 55 PRO CG C 13 28.081 0.061 . 1 . . . . 904 PRO CG . 15671 1 567 . 1 1 56 56 GLU H H 1 8.845 0.005 . 1 . . . . 905 GLU H . 15671 1 568 . 1 1 56 56 GLU HA H 1 3.967 0.004 . 1 . . . . 905 GLU HA . 15671 1 569 . 1 1 56 56 GLU HB2 H 1 2.101 0.005 . 2 . . . . 905 GLU HB2 . 15671 1 570 . 1 1 56 56 GLU HB3 H 1 2.062 0.003 . 2 . . . . 905 GLU HB3 . 15671 1 571 . 1 1 56 56 GLU HG2 H 1 2.425 0.007 . 2 . . . . 905 GLU HG2 . 15671 1 572 . 1 1 56 56 GLU HG3 H 1 2.386 0.006 . 2 . . . . 905 GLU HG3 . 15671 1 573 . 1 1 56 56 GLU CA C 13 60.127 0.041 . 1 . . . . 905 GLU CA . 15671 1 574 . 1 1 56 56 GLU CB C 13 29.892 0.060 . 1 . . . . 905 GLU CB . 15671 1 575 . 1 1 56 56 GLU CG C 13 36.588 0.004 . 1 . . . . 905 GLU CG . 15671 1 576 . 1 1 56 56 GLU N N 15 124.405 0.025 . 1 . . . . 905 GLU N . 15671 1 577 . 1 1 57 57 GLU H H 1 9.241 0.004 . 1 . . . . 906 GLU H . 15671 1 578 . 1 1 57 57 GLU HA H 1 4.245 0.003 . 1 . . . . 906 GLU HA . 15671 1 579 . 1 1 57 57 GLU HB2 H 1 2.041 0.004 . 2 . . . . 906 GLU HB2 . 15671 1 580 . 1 1 57 57 GLU HB3 H 1 2.133 0.002 . 2 . . . . 906 GLU HB3 . 15671 1 581 . 1 1 57 57 GLU HG2 H 1 2.338 0.005 . 2 . . . . 906 GLU HG2 . 15671 1 582 . 1 1 57 57 GLU HG3 H 1 2.233 0.005 . 2 . . . . 906 GLU HG3 . 15671 1 583 . 1 1 57 57 GLU CA C 13 57.285 0.049 . 1 . . . . 906 GLU CA . 15671 1 584 . 1 1 57 57 GLU CB C 13 28.748 0.108 . 1 . . . . 906 GLU CB . 15671 1 585 . 1 1 57 57 GLU CG C 13 36.051 0.022 . 1 . . . . 906 GLU CG . 15671 1 586 . 1 1 57 57 GLU N N 15 115.138 0.034 . 1 . . . . 906 GLU N . 15671 1 587 . 1 1 58 58 MET H H 1 7.633 0.005 . 1 . . . . 907 MET H . 15671 1 588 . 1 1 58 58 MET HA H 1 4.439 0.005 . 1 . . . . 907 MET HA . 15671 1 589 . 1 1 58 58 MET HB2 H 1 2.009 0.003 . 2 . . . . 907 MET HB2 . 15671 1 590 . 1 1 58 58 MET HB3 H 1 2.110 0.004 . 2 . . . . 907 MET HB3 . 15671 1 591 . 1 1 58 58 MET HG2 H 1 2.685 0.002 . 2 . . . . 907 MET QG . 15671 1 592 . 1 1 58 58 MET HG3 H 1 2.685 0.002 . 2 . . . . 907 MET QG . 15671 1 593 . 1 1 58 58 MET CA C 13 55.462 0.091 . 1 . . . . 907 MET CA . 15671 1 594 . 1 1 58 58 MET CB C 13 34.392 0.070 . 1 . . . . 907 MET CB . 15671 1 595 . 1 1 58 58 MET CG C 13 31.946 0.017 . 1 . . . . 907 MET CG . 15671 1 596 . 1 1 58 58 MET N N 15 121.244 0.027 . 1 . . . . 907 MET N . 15671 1 597 . 1 1 59 59 GLN H H 1 8.635 0.003 . 1 . . . . 908 GLN H . 15671 1 598 . 1 1 59 59 GLN HA H 1 4.378 0.005 . 1 . . . . 908 GLN HA . 15671 1 599 . 1 1 59 59 GLN HB2 H 1 1.908 0.003 . 2 . . . . 908 GLN HB2 . 15671 1 600 . 1 1 59 59 GLN HB3 H 1 1.722 0.003 . 2 . . . . 908 GLN HB3 . 15671 1 601 . 1 1 59 59 GLN HE21 H 1 6.994 0.002 . 2 . . . . 908 GLN HE21 . 15671 1 602 . 1 1 59 59 GLN HE22 H 1 7.660 0.003 . 2 . . . . 908 GLN HE22 . 15671 1 603 . 1 1 59 59 GLN HG2 H 1 2.432 0.005 . 2 . . . . 908 GLN HG2 . 15671 1 604 . 1 1 59 59 GLN HG3 H 1 2.231 0.002 . 2 . . . . 908 GLN HG3 . 15671 1 605 . 1 1 59 59 GLN CA C 13 56.224 0.077 . 1 . . . . 908 GLN CA . 15671 1 606 . 1 1 59 59 GLN CB C 13 31.529 0.068 . 1 . . . . 908 GLN CB . 15671 1 607 . 1 1 59 59 GLN CG C 13 35.323 0.019 . 1 . . . . 908 GLN CG . 15671 1 608 . 1 1 59 59 GLN N N 15 125.641 0.023 . 1 . . . . 908 GLN N . 15671 1 609 . 1 1 59 59 GLN NE2 N 15 112.467 0.018 . 1 . . . . 908 GLN NE2 . 15671 1 610 . 1 1 60 60 TRP H H 1 8.831 0.007 . 1 . . . . 909 TRP H . 15671 1 611 . 1 1 60 60 TRP HA H 1 4.363 0.003 . 1 . . . . 909 TRP HA . 15671 1 612 . 1 1 60 60 TRP HB2 H 1 2.577 0.002 . 2 . . . . 909 TRP HB2 . 15671 1 613 . 1 1 60 60 TRP HB3 H 1 3.180 0.004 . 2 . . . . 909 TRP HB3 . 15671 1 614 . 1 1 60 60 TRP HD1 H 1 7.138 0.003 . 1 . . . . 909 TRP HD1 . 15671 1 615 . 1 1 60 60 TRP HE1 H 1 10.010 0.003 . 1 . . . . 909 TRP HE1 . 15671 1 616 . 1 1 60 60 TRP HE3 H 1 7.213 0.002 . 1 . . . . 909 TRP HE3 . 15671 1 617 . 1 1 60 60 TRP HH2 H 1 6.177 0.002 . 1 . . . . 909 TRP HH2 . 15671 1 618 . 1 1 60 60 TRP HZ2 H 1 6.942 0.002 . 1 . . . . 909 TRP HZ2 . 15671 1 619 . 1 1 60 60 TRP HZ3 H 1 6.572 0.001 . 1 . . . . 909 TRP HZ3 . 15671 1 620 . 1 1 60 60 TRP CA C 13 59.309 0.159 . 1 . . . . 909 TRP CA . 15671 1 621 . 1 1 60 60 TRP CB C 13 31.758 0.033 . 1 . . . . 909 TRP CB . 15671 1 622 . 1 1 60 60 TRP CD1 C 13 126.094 0.000 . 1 . . . . 909 TRP CD1 . 15671 1 623 . 1 1 60 60 TRP CE3 C 13 122.189 0.000 . 1 . . . . 909 TRP CE3 . 15671 1 624 . 1 1 60 60 TRP CH2 C 13 122.576 0.001 . 1 . . . . 909 TRP CH2 . 15671 1 625 . 1 1 60 60 TRP CZ2 C 13 113.609 0.000 . 1 . . . . 909 TRP CZ2 . 15671 1 626 . 1 1 60 60 TRP CZ3 C 13 120.058 0.000 . 1 . . . . 909 TRP CZ3 . 15671 1 627 . 1 1 60 60 TRP N N 15 123.177 0.036 . 1 . . . . 909 TRP N . 15671 1 628 . 1 1 60 60 TRP NE1 N 15 128.884 0.009 . 1 . . . . 909 TRP NE1 . 15671 1 629 . 1 1 61 61 PHE H H 1 6.678 0.006 . 1 . . . . 910 PHE H . 15671 1 630 . 1 1 61 61 PHE HA H 1 5.253 0.003 . 1 . . . . 910 PHE HA . 15671 1 631 . 1 1 61 61 PHE HB2 H 1 2.547 0.004 . 2 . . . . 910 PHE HB2 . 15671 1 632 . 1 1 61 61 PHE HB3 H 1 2.222 0.005 . 2 . . . . 910 PHE HB3 . 15671 1 633 . 1 1 61 61 PHE HD1 H 1 7.023 0.003 . 3 . . . . 910 PHE QD . 15671 1 634 . 1 1 61 61 PHE HD2 H 1 7.023 0.003 . 3 . . . . 910 PHE QD . 15671 1 635 . 1 1 61 61 PHE HE1 H 1 7.072 0.002 . 3 . . . . 910 PHE QE . 15671 1 636 . 1 1 61 61 PHE HE2 H 1 7.072 0.002 . 3 . . . . 910 PHE QE . 15671 1 637 . 1 1 61 61 PHE HZ H 1 7.147 0.000 . 1 . . . . 910 PHE HZ . 15671 1 638 . 1 1 61 61 PHE CA C 13 54.405 0.098 . 1 . . . . 910 PHE CA . 15671 1 639 . 1 1 61 61 PHE CB C 13 41.554 0.034 . 1 . . . . 910 PHE CB . 15671 1 640 . 1 1 61 61 PHE CD1 C 13 132.002 0.000 . 3 . . . . 910 PHE CD1 . 15671 1 641 . 1 1 61 61 PHE CE1 C 13 131.122 0.000 . 3 . . . . 910 PHE CE1 . 15671 1 642 . 1 1 61 61 PHE CZ C 13 129.618 0.000 . 1 . . . . 910 PHE CZ . 15671 1 643 . 1 1 61 61 PHE N N 15 123.023 0.033 . 1 . . . . 910 PHE N . 15671 1 644 . 1 1 62 62 CYS H H 1 9.316 0.004 . . . . . . 911 CYS H . 15671 1 645 . 1 1 62 62 CYS HA H 1 3.678 0.004 . . . . . . 911 CYS HA . 15671 1 646 . 1 1 62 62 CYS HB2 H 1 3.166 0.003 . . . . . . 911 CYS HB2 . 15671 1 647 . 1 1 62 62 CYS HB3 H 1 2.505 0.005 . . . . . . 911 CYS HB3 . 15671 1 648 . 1 1 62 62 CYS CA C 13 56.862 0.034 . . . . . . 911 CYS CA . 15671 1 649 . 1 1 62 62 CYS CB C 13 30.054 0.038 . . . . . . 911 CYS CB . 15671 1 650 . 1 1 62 62 CYS N N 15 126.265 0.046 . . . . . . 911 CYS N . 15671 1 651 . 1 1 63 63 PRO HA H 1 4.121 0.003 . 1 . . . . 912 PRO HA . 15671 1 652 . 1 1 63 63 PRO HB2 H 1 1.912 0.004 . 2 . . . . 912 PRO HB2 . 15671 1 653 . 1 1 63 63 PRO HB3 H 1 2.402 0.004 . 2 . . . . 912 PRO HB3 . 15671 1 654 . 1 1 63 63 PRO HD2 H 1 3.319 0.003 . 2 . . . . 912 PRO QD . 15671 1 655 . 1 1 63 63 PRO HD3 H 1 3.319 0.003 . 2 . . . . 912 PRO QD . 15671 1 656 . 1 1 63 63 PRO HG2 H 1 1.993 0.003 . 2 . . . . 912 PRO HG2 . 15671 1 657 . 1 1 63 63 PRO HG3 H 1 2.112 0.002 . 2 . . . . 912 PRO HG3 . 15671 1 658 . 1 1 63 63 PRO CA C 13 65.685 0.038 . 1 . . . . 912 PRO CA . 15671 1 659 . 1 1 63 63 PRO CB C 13 32.121 0.071 . 1 . . . . 912 PRO CB . 15671 1 660 . 1 1 63 63 PRO CD C 13 49.557 0.007 . 1 . . . . 912 PRO CD . 15671 1 661 . 1 1 63 63 PRO CG C 13 27.902 0.040 . 1 . . . . 912 PRO CG . 15671 1 662 . 1 1 64 64 LYS H H 1 7.974 0.004 . 1 . . . . 913 LYS H . 15671 1 663 . 1 1 64 64 LYS HA H 1 4.196 0.004 . 1 . . . . 913 LYS HA . 15671 1 664 . 1 1 64 64 LYS HB2 H 1 1.983 0.003 . 2 . . . . 913 LYS HB2 . 15671 1 665 . 1 1 64 64 LYS HB3 H 1 2.026 0.007 . 2 . . . . 913 LYS HB3 . 15671 1 666 . 1 1 64 64 LYS HD2 H 1 1.884 0.003 . 2 . . . . 913 LYS HD2 . 15671 1 667 . 1 1 64 64 LYS HD3 H 1 1.800 0.003 . 2 . . . . 913 LYS HD3 . 15671 1 668 . 1 1 64 64 LYS HE2 H 1 3.099 0.002 . 2 . . . . 913 LYS QE . 15671 1 669 . 1 1 64 64 LYS HE3 H 1 3.099 0.002 . 2 . . . . 913 LYS QE . 15671 1 670 . 1 1 64 64 LYS HG2 H 1 1.438 0.004 . 2 . . . . 913 LYS HG2 . 15671 1 671 . 1 1 64 64 LYS HG3 H 1 1.630 0.004 . 2 . . . . 913 LYS HG3 . 15671 1 672 . 1 1 64 64 LYS CA C 13 59.319 0.112 . 1 . . . . 913 LYS CA . 15671 1 673 . 1 1 64 64 LYS CB C 13 32.890 0.095 . 1 . . . . 913 LYS CB . 15671 1 674 . 1 1 64 64 LYS CD C 13 29.295 0.006 . 1 . . . . 913 LYS CD . 15671 1 675 . 1 1 64 64 LYS CE C 13 42.363 0.037 . 1 . . . . 913 LYS CE . 15671 1 676 . 1 1 64 64 LYS CG C 13 25.207 0.034 . 1 . . . . 913 LYS CG . 15671 1 677 . 1 1 64 64 LYS N N 15 117.227 0.029 . 1 . . . . 913 LYS N . 15671 1 678 . 1 1 65 65 CYS H H 1 8.485 0.004 . . . . . . 914 CYS H . 15671 1 679 . 1 1 65 65 CYS HA H 1 3.934 0.004 . . . . . . 914 CYS HA . 15671 1 680 . 1 1 65 65 CYS HB2 H 1 3.031 0.002 . . . . . . 914 CYS HB2 . 15671 1 681 . 1 1 65 65 CYS HB3 H 1 2.835 0.004 . . . . . . 914 CYS HB3 . 15671 1 682 . 1 1 65 65 CYS CA C 13 63.786 0.083 . . . . . . 914 CYS CA . 15671 1 683 . 1 1 65 65 CYS CB C 13 30.060 0.052 . . . . . . 914 CYS CB . 15671 1 684 . 1 1 65 65 CYS N N 15 125.213 0.026 . . . . . . 914 CYS N . 15671 1 685 . 1 1 66 66 ALA H H 1 8.986 0.004 . 1 . . . . 915 ALA H . 15671 1 686 . 1 1 66 66 ALA HA H 1 3.789 0.002 . 1 . . . . 915 ALA HA . 15671 1 687 . 1 1 66 66 ALA HB1 H 1 1.192 0.002 . . . . . . 915 ALA QB . 15671 1 688 . 1 1 66 66 ALA HB2 H 1 1.192 0.002 . . . . . . 915 ALA QB . 15671 1 689 . 1 1 66 66 ALA HB3 H 1 1.192 0.002 . . . . . . 915 ALA QB . 15671 1 690 . 1 1 66 66 ALA CA C 13 54.454 0.077 . 1 . . . . 915 ALA CA . 15671 1 691 . 1 1 66 66 ALA CB C 13 18.212 0.116 . 1 . . . . 915 ALA CB . 15671 1 692 . 1 1 66 66 ALA N N 15 121.721 0.027 . 1 . . . . 915 ALA N . 15671 1 693 . 1 1 67 67 ASN H H 1 7.519 0.005 . 1 . . . . 916 ASN H . 15671 1 694 . 1 1 67 67 ASN HA H 1 4.605 0.002 . 1 . . . . 916 ASN HA . 15671 1 695 . 1 1 67 67 ASN HB2 H 1 2.746 0.003 . 2 . . . . 916 ASN HB2 . 15671 1 696 . 1 1 67 67 ASN HB3 H 1 2.839 0.003 . 2 . . . . 916 ASN HB3 . 15671 1 697 . 1 1 67 67 ASN HD21 H 1 7.685 0.002 . 2 . . . . 916 ASN HD21 . 15671 1 698 . 1 1 67 67 ASN HD22 H 1 6.941 0.002 . 2 . . . . 916 ASN HD22 . 15671 1 699 . 1 1 67 67 ASN CA C 13 54.089 0.140 . 1 . . . . 916 ASN CA . 15671 1 700 . 1 1 67 67 ASN CB C 13 38.909 0.018 . 1 . . . . 916 ASN CB . 15671 1 701 . 1 1 67 67 ASN N N 15 114.095 0.018 . 1 . . . . 916 ASN N . 15671 1 702 . 1 1 67 67 ASN ND2 N 15 113.490 0.021 . 1 . . . . 916 ASN ND2 . 15671 1 703 . 1 1 68 68 LYS H H 1 7.432 0.006 . 1 . . . . 917 LYS H . 15671 1 704 . 1 1 68 68 LYS HA H 1 4.121 0.003 . 1 . . . . 917 LYS HA . 15671 1 705 . 1 1 68 68 LYS HB2 H 1 1.770 0.005 . 2 . . . . 917 LYS HB2 . 15671 1 706 . 1 1 68 68 LYS HB3 H 1 1.831 0.001 . 2 . . . . 917 LYS HB3 . 15671 1 707 . 1 1 68 68 LYS HD2 H 1 1.680 0.003 . 2 . . . . 917 LYS QD . 15671 1 708 . 1 1 68 68 LYS HD3 H 1 1.680 0.003 . 2 . . . . 917 LYS QD . 15671 1 709 . 1 1 68 68 LYS HE2 H 1 2.943 0.004 . 2 . . . . 917 LYS QE . 15671 1 710 . 1 1 68 68 LYS HE3 H 1 2.943 0.004 . 2 . . . . 917 LYS QE . 15671 1 711 . 1 1 68 68 LYS HG2 H 1 1.502 0.003 . 2 . . . . 917 LYS HG2 . 15671 1 712 . 1 1 68 68 LYS HG3 H 1 1.380 0.002 . 2 . . . . 917 LYS HG3 . 15671 1 713 . 1 1 68 68 LYS CA C 13 57.788 0.125 . 1 . . . . 917 LYS CA . 15671 1 714 . 1 1 68 68 LYS CB C 13 32.826 0.071 . 1 . . . . 917 LYS CB . 15671 1 715 . 1 1 68 68 LYS CD C 13 29.539 0.018 . 1 . . . . 917 LYS CD . 15671 1 716 . 1 1 68 68 LYS CE C 13 42.073 0.024 . 1 . . . . 917 LYS CE . 15671 1 717 . 1 1 68 68 LYS CG C 13 25.018 0.043 . 1 . . . . 917 LYS CG . 15671 1 718 . 1 1 68 68 LYS N N 15 119.975 0.022 . 1 . . . . 917 LYS N . 15671 1 719 . 1 1 69 69 ILE H H 1 7.815 0.007 . 1 . . . . 918 ILE H . 15671 1 720 . 1 1 69 69 ILE HA H 1 3.937 0.005 . 1 . . . . 918 ILE HA . 15671 1 721 . 1 1 69 69 ILE HB H 1 1.747 0.003 . 1 . . . . 918 ILE HB . 15671 1 722 . 1 1 69 69 ILE HD11 H 1 0.571 0.003 . . . . . . 918 ILE QD1 . 15671 1 723 . 1 1 69 69 ILE HD12 H 1 0.571 0.003 . . . . . . 918 ILE QD1 . 15671 1 724 . 1 1 69 69 ILE HD13 H 1 0.571 0.003 . . . . . . 918 ILE QD1 . 15671 1 725 . 1 1 69 69 ILE HG12 H 1 1.366 0.003 . 2 . . . . 918 ILE HG12 . 15671 1 726 . 1 1 69 69 ILE HG13 H 1 1.038 0.003 . 2 . . . . 918 ILE HG13 . 15671 1 727 . 1 1 69 69 ILE HG21 H 1 0.785 0.002 . . . . . . 918 ILE QG2 . 15671 1 728 . 1 1 69 69 ILE HG22 H 1 0.785 0.002 . . . . . . 918 ILE QG2 . 15671 1 729 . 1 1 69 69 ILE HG23 H 1 0.785 0.002 . . . . . . 918 ILE QG2 . 15671 1 730 . 1 1 69 69 ILE CA C 13 61.939 0.064 . 1 . . . . 918 ILE CA . 15671 1 731 . 1 1 69 69 ILE CB C 13 38.220 0.106 . 1 . . . . 918 ILE CB . 15671 1 732 . 1 1 69 69 ILE CD1 C 13 12.633 0.030 . 1 . . . . 918 ILE CD1 . 15671 1 733 . 1 1 69 69 ILE CG1 C 13 27.691 0.030 . 1 . . . . 918 ILE CG1 . 15671 1 734 . 1 1 69 69 ILE CG2 C 13 17.379 0.028 . 1 . . . . 918 ILE CG2 . 15671 1 735 . 1 1 69 69 ILE N N 15 120.156 0.033 . 1 . . . . 918 ILE N . 15671 1 736 . 1 1 70 70 LYS H H 1 8.082 0.004 . 1 . . . . 919 LYS H . 15671 1 737 . 1 1 70 70 LYS HA H 1 4.246 0.004 . 1 . . . . 919 LYS HA . 15671 1 738 . 1 1 70 70 LYS HB2 H 1 1.769 0.000 . 2 . . . . 919 LYS HB2 . 15671 1 739 . 1 1 70 70 LYS HB3 H 1 1.817 0.000 . 2 . . . . 919 LYS HB3 . 15671 1 740 . 1 1 70 70 LYS HD2 H 1 1.657 0.000 . 2 . . . . 919 LYS QD . 15671 1 741 . 1 1 70 70 LYS HD3 H 1 1.657 0.000 . 2 . . . . 919 LYS QD . 15671 1 742 . 1 1 70 70 LYS HG2 H 1 1.396 0.000 . 2 . . . . 919 LYS QG . 15671 1 743 . 1 1 70 70 LYS HG3 H 1 1.396 0.000 . 2 . . . . 919 LYS QG . 15671 1 744 . 1 1 70 70 LYS CA C 13 56.573 0.055 . 1 . . . . 919 LYS CA . 15671 1 745 . 1 1 70 70 LYS CB C 13 32.658 0.000 . 1 . . . . 919 LYS CB . 15671 1 746 . 1 1 70 70 LYS N N 15 124.303 0.029 . 1 . . . . 919 LYS N . 15671 1 747 . 1 1 71 71 LYS H H 1 8.231 0.005 . 1 . . . . 920 LYS H . 15671 1 748 . 1 1 71 71 LYS HA H 1 4.259 0.001 . 1 . . . . 920 LYS HA . 15671 1 749 . 1 1 71 71 LYS HB2 H 1 1.758 0.003 . 2 . . . . 920 LYS HB2 . 15671 1 750 . 1 1 71 71 LYS HB3 H 1 1.830 0.000 . 2 . . . . 920 LYS HB3 . 15671 1 751 . 1 1 71 71 LYS HD2 H 1 1.651 0.002 . 2 . . . . 920 LYS QD . 15671 1 752 . 1 1 71 71 LYS HD3 H 1 1.651 0.002 . 2 . . . . 920 LYS QD . 15671 1 753 . 1 1 71 71 LYS HE2 H 1 2.946 0.000 . 2 . . . . 920 LYS QE . 15671 1 754 . 1 1 71 71 LYS HE3 H 1 2.946 0.000 . 2 . . . . 920 LYS QE . 15671 1 755 . 1 1 71 71 LYS HG2 H 1 1.413 0.002 . 2 . . . . 920 LYS HG2 . 15671 1 756 . 1 1 71 71 LYS HG3 H 1 1.428 0.000 . 2 . . . . 920 LYS HG3 . 15671 1 757 . 1 1 71 71 LYS CA C 13 56.642 0.087 . 1 . . . . 920 LYS CA . 15671 1 758 . 1 1 71 71 LYS CB C 13 32.898 0.100 . 1 . . . . 920 LYS CB . 15671 1 759 . 1 1 71 71 LYS CD C 13 29.105 0.004 . 1 . . . . 920 LYS CD . 15671 1 760 . 1 1 71 71 LYS N N 15 122.199 0.024 . 1 . . . . 920 LYS N . 15671 1 761 . 1 1 72 72 ASP H H 1 8.324 0.005 . 1 . . . . 921 ASP H . 15671 1 762 . 1 1 72 72 ASP HA H 1 4.580 0.004 . 1 . . . . 921 ASP HA . 15671 1 763 . 1 1 72 72 ASP HB2 H 1 2.631 0.003 . 2 . . . . 921 ASP HB2 . 15671 1 764 . 1 1 72 72 ASP HB3 H 1 2.696 0.002 . 2 . . . . 921 ASP HB3 . 15671 1 765 . 1 1 72 72 ASP CA C 13 54.474 0.047 . 1 . . . . 921 ASP CA . 15671 1 766 . 1 1 72 72 ASP CB C 13 41.286 0.023 . 1 . . . . 921 ASP CB . 15671 1 767 . 1 1 72 72 ASP N N 15 121.108 0.037 . 1 . . . . 921 ASP N . 15671 1 768 . 1 1 73 73 LYS H H 1 8.172 0.006 . 1 . . . . 922 LYS H . 15671 1 769 . 1 1 73 73 LYS HA H 1 4.301 0.002 . 1 . . . . 922 LYS HA . 15671 1 770 . 1 1 73 73 LYS HB2 H 1 1.749 0.000 . 2 . . . . 922 LYS HB2 . 15671 1 771 . 1 1 73 73 LYS HB3 H 1 1.839 0.000 . 2 . . . . 922 LYS HB3 . 15671 1 772 . 1 1 73 73 LYS HG2 H 1 1.420 0.000 . 2 . . . . 922 LYS QG . 15671 1 773 . 1 1 73 73 LYS HG3 H 1 1.420 0.000 . 2 . . . . 922 LYS QG . 15671 1 774 . 1 1 73 73 LYS CA C 13 56.301 0.087 . 1 . . . . 922 LYS CA . 15671 1 775 . 1 1 73 73 LYS CB C 13 32.889 0.000 . 1 . . . . 922 LYS CB . 15671 1 776 . 1 1 73 73 LYS N N 15 121.367 0.028 . 1 . . . . 922 LYS N . 15671 1 777 . 1 1 74 74 LYS H H 1 8.353 0.006 . 1 . . . . 923 LYS H . 15671 1 778 . 1 1 74 74 LYS HA H 1 4.269 0.007 . 1 . . . . 923 LYS HA . 15671 1 779 . 1 1 74 74 LYS HB2 H 1 1.757 0.006 . 2 . . . . 923 LYS HB2 . 15671 1 780 . 1 1 74 74 LYS HB3 H 1 1.827 0.000 . 2 . . . . 923 LYS HB3 . 15671 1 781 . 1 1 74 74 LYS HG2 H 1 1.426 0.000 . 2 . . . . 923 LYS QG . 15671 1 782 . 1 1 74 74 LYS HG3 H 1 1.426 0.000 . 2 . . . . 923 LYS QG . 15671 1 783 . 1 1 74 74 LYS CA C 13 56.487 0.092 . 1 . . . . 923 LYS CA . 15671 1 784 . 1 1 74 74 LYS CB C 13 32.904 0.076 . 1 . . . . 923 LYS CB . 15671 1 785 . 1 1 74 74 LYS N N 15 122.924 0.019 . 1 . . . . 923 LYS N . 15671 1 786 . 1 1 75 75 HIS H H 1 8.013 0.005 . . . . . . 924 HIS H . 15671 1 787 . 1 1 75 75 HIS HA H 1 4.457 0.002 . . . . . . 924 HIS HA . 15671 1 788 . 1 1 75 75 HIS HB2 H 1 3.066 0.002 . . . . . . 924 HIS HB2 . 15671 1 789 . 1 1 75 75 HIS HB3 H 1 3.220 0.003 . . . . . . 924 HIS HB3 . 15671 1 790 . 1 1 75 75 HIS HD2 H 1 7.148 0.006 . . . . . . 924 HIS HD2 . 15671 1 791 . 1 1 75 75 HIS HE1 H 1 8.259 0.006 . . . . . . 924 HIS HE1 . 15671 1 792 . 1 1 75 75 HIS CA C 13 57.306 0.017 . . . . . . 924 HIS CA . 15671 1 793 . 1 1 75 75 HIS CB C 13 30.681 0.046 . . . . . . 924 HIS CB . 15671 1 794 . 1 1 75 75 HIS CD2 C 13 120.069 0.000 . . . . . . 924 HIS CD2 . 15671 1 795 . 1 1 75 75 HIS CE1 C 13 136.973 0.000 . . . . . . 924 HIS CE1 . 15671 1 796 . 1 1 75 75 HIS N N 15 125.131 0.048 . . . . . . 924 HIS N . 15671 1 797 . 4 3 1 1 ALA H H 1 10.497 0.007 . 1 . . . . 1 ALA H . 15671 1 798 . 4 3 1 1 ALA HA H 1 4.337 0.002 . 1 . . . . 1 ALA HA . 15671 1 799 . 4 3 1 1 ALA HB1 H 1 1.481 0.003 . . . . . . 1 ALA QB . 15671 1 800 . 4 3 1 1 ALA HB2 H 1 1.481 0.003 . . . . . . 1 ALA QB . 15671 1 801 . 4 3 1 1 ALA HB3 H 1 1.481 0.003 . . . . . . 1 ALA QB . 15671 1 802 . 4 3 2 2 ARG H H 1 8.465 0.000 . 1 . . . . 2 ARG H . 15671 1 803 . 4 3 2 2 ARG HA H 1 4.724 0.001 . 1 . . . . 2 ARG HA . 15671 1 804 . 4 3 2 2 ARG HB2 H 1 1.794 0.001 . 2 . . . . 2 ARG HB2 . 15671 1 805 . 4 3 2 2 ARG HB3 H 1 1.764 0.006 . 2 . . . . 2 ARG HB3 . 15671 1 806 . 4 3 2 2 ARG HD2 H 1 3.332 0.002 . 2 . . . . 2 ARG QD . 15671 1 807 . 4 3 2 2 ARG HD3 H 1 3.332 0.002 . 2 . . . . 2 ARG QD . 15671 1 808 . 4 3 2 2 ARG HE H 1 6.944 0.002 . 1 . . . . 2 ARG HE . 15671 1 809 . 4 3 2 2 ARG HG2 H 1 1.836 0.004 . 2 . . . . 2 ARG QG . 15671 1 810 . 4 3 2 2 ARG HG3 H 1 1.836 0.004 . 2 . . . . 2 ARG QG . 15671 1 811 . 4 3 3 3 THR H H 1 8.441 0.004 . 1 . . . . 3 THR H . 15671 1 812 . 4 3 3 3 THR HA H 1 5.763 0.005 . 1 . . . . 3 THR HA . 15671 1 813 . 4 3 3 3 THR HB H 1 4.701 0.002 . 1 . . . . 3 THR HB . 15671 1 814 . 4 3 3 3 THR HG21 H 1 1.239 0.003 . . . . . . 3 THR QG2 . 15671 1 815 . 4 3 3 3 THR HG22 H 1 1.239 0.003 . . . . . . 3 THR QG2 . 15671 1 816 . 4 3 3 3 THR HG23 H 1 1.239 0.003 . . . . . . 3 THR QG2 . 15671 1 817 . 4 3 4 4 M3L H H 1 8.482 0.004 . . . . . . 4 M3L H . 15671 1 818 . 4 3 4 4 M3L HA H 1 4.756 0.004 . . . . . . 4 M3L HA . 15671 1 819 . 4 3 4 4 M3L HB2 H 1 1.558 0.005 . . . . . . 4 M3L HB2 . 15671 1 820 . 4 3 4 4 M3L HB3 H 1 1.438 0.006 . . . . . . 4 M3L HB3 . 15671 1 821 . 4 3 4 4 M3L HD2 H 1 0.750 0.001 . . . . . . 4 M3L HD2 . 15671 1 822 . 4 3 4 4 M3L HD3 H 1 0.814 0.003 . . . . . . 4 M3L HD3 . 15671 1 823 . 4 3 4 4 M3L HE2 H 1 1.737 0.000 . . . . . . 4 M3L HE2 . 15671 1 824 . 4 3 4 4 M3L HE3 H 1 1.165 0.000 . . . . . . 4 M3L HE3 . 15671 1 825 . 4 3 4 4 M3L HG2 H 1 1.123 0.000 . . . . . . 4 M3L HG2 . 15671 1 826 . 4 3 4 4 M3L HG3 H 1 0.976 0.002 . . . . . . 4 M3L HG3 . 15671 1 827 . 4 3 4 4 M3L HM11 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 828 . 4 3 4 4 M3L HM12 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 829 . 4 3 4 4 M3L HM13 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 830 . 4 3 4 4 M3L HM21 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 831 . 4 3 4 4 M3L HM22 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 832 . 4 3 4 4 M3L HM23 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 833 . 4 3 4 4 M3L HM31 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 834 . 4 3 4 4 M3L HM32 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 835 . 4 3 4 4 M3L HM33 H 1 1.338 0.004 . . . . . . 4 M3L QQM . 15671 1 836 . 4 3 5 5 GLN H H 1 8.271 0.003 . 1 . . . . 5 GLN H . 15671 1 837 . 4 3 5 5 GLN HA H 1 4.187 0.003 . 1 . . . . 5 GLN HA . 15671 1 838 . 4 3 5 5 GLN HB2 H 1 1.984 0.002 . 2 . . . . 5 GLN HB2 . 15671 1 839 . 4 3 5 5 GLN HB3 H 1 1.834 0.001 . 2 . . . . 5 GLN HB3 . 15671 1 840 . 4 3 5 5 GLN HE21 H 1 6.924 0.002 . 2 . . . . 5 GLN HE21 . 15671 1 841 . 4 3 5 5 GLN HE22 H 1 7.531 0.004 . 2 . . . . 5 GLN HE22 . 15671 1 842 . 4 3 5 5 GLN HG2 H 1 2.091 0.002 . 2 . . . . 5 GLN QG . 15671 1 843 . 4 3 5 5 GLN HG3 H 1 2.091 0.002 . 2 . . . . 5 GLN QG . 15671 1 844 . 4 3 6 6 THR H H 1 9.051 0.003 . 1 . . . . 6 THR H . 15671 1 845 . 4 3 6 6 THR HA H 1 4.198 0.005 . 1 . . . . 6 THR HA . 15671 1 846 . 4 3 6 6 THR HB H 1 4.128 0.010 . 1 . . . . 6 THR HB . 15671 1 847 . 4 3 6 6 THR HG21 H 1 1.179 0.003 . . . . . . 6 THR QG2 . 15671 1 848 . 4 3 6 6 THR HG22 H 1 1.179 0.003 . . . . . . 6 THR QG2 . 15671 1 849 . 4 3 6 6 THR HG23 H 1 1.179 0.003 . . . . . . 6 THR QG2 . 15671 1 850 . 4 3 7 7 ALA H H 1 8.480 0.006 . 1 . . . . 7 ALA H . 15671 1 851 . 4 3 7 7 ALA HA H 1 4.316 0.005 . 1 . . . . 7 ALA HA . 15671 1 852 . 4 3 7 7 ALA HB1 H 1 1.370 0.003 . . . . . . 7 ALA QB . 15671 1 853 . 4 3 7 7 ALA HB2 H 1 1.370 0.003 . . . . . . 7 ALA QB . 15671 1 854 . 4 3 7 7 ALA HB3 H 1 1.370 0.003 . . . . . . 7 ALA QB . 15671 1 855 . 4 3 8 8 ARG H H 1 8.364 0.010 . 1 . . . . 8 ARG H . 15671 1 856 . 4 3 8 8 ARG HA H 1 4.314 0.004 . 1 . . . . 8 ARG HA . 15671 1 857 . 4 3 8 8 ARG HB2 H 1 1.745 0.004 . 2 . . . . 8 ARG HB2 . 15671 1 858 . 4 3 8 8 ARG HB3 H 1 1.837 0.002 . 2 . . . . 8 ARG HB3 . 15671 1 859 . 4 3 8 8 ARG HD2 H 1 3.190 0.007 . 2 . . . . 8 ARG QD . 15671 1 860 . 4 3 8 8 ARG HD3 H 1 3.190 0.007 . 2 . . . . 8 ARG QD . 15671 1 861 . 4 3 8 8 ARG HE H 1 7.207 0.000 . 1 . . . . 8 ARG HE . 15671 1 862 . 4 3 8 8 ARG HG2 H 1 1.634 0.007 . 2 . . . . 8 ARG QG . 15671 1 863 . 4 3 8 8 ARG HG3 H 1 1.634 0.007 . 2 . . . . 8 ARG QG . 15671 1 864 . 4 3 9 9 LYS H H 1 8.484 0.000 . 1 . . . . 9 LYS H . 15671 1 865 . 4 3 9 9 LYS HA H 1 4.352 0.000 . 1 . . . . 9 LYS HA . 15671 1 866 . 4 3 9 9 LYS HB2 H 1 1.739 0.003 . 2 . . . . 9 LYS HB2 . 15671 1 867 . 4 3 9 9 LYS HB3 H 1 1.845 0.005 . 2 . . . . 9 LYS HB3 . 15671 1 868 . 4 3 9 9 LYS HD2 H 1 1.689 0.009 . 2 . . . . 9 LYS QD . 15671 1 869 . 4 3 9 9 LYS HD3 H 1 1.689 0.009 . 2 . . . . 9 LYS QD . 15671 1 870 . 4 3 9 9 LYS HE2 H 1 2.988 0.002 . 2 . . . . 9 LYS QE . 15671 1 871 . 4 3 9 9 LYS HE3 H 1 2.988 0.002 . 2 . . . . 9 LYS QE . 15671 1 872 . 4 3 9 9 LYS HG2 H 1 1.447 0.000 . 2 . . . . 9 LYS QG . 15671 1 873 . 4 3 9 9 LYS HG3 H 1 1.447 0.000 . 2 . . . . 9 LYS QG . 15671 1 874 . 4 3 10 10 SER H H 1 8.526 0.000 . 1 . . . . 10 SER H . 15671 1 875 . 4 3 10 10 SER HA H 1 4.541 0.008 . 1 . . . . 10 SER HA . 15671 1 876 . 4 3 10 10 SER HB2 H 1 3.877 0.003 . 2 . . . . 10 SER HB2 . 15671 1 877 . 4 3 10 10 SER HB3 H 1 3.938 0.005 . 2 . . . . 10 SER HB3 . 15671 1 878 . 4 3 11 11 THR H H 1 8.323 0.000 . 1 . . . . 11 THR H . 15671 1 879 . 4 3 11 11 THR HA H 1 4.410 0.000 . 1 . . . . 11 THR HA . 15671 1 880 . 4 3 11 11 THR HB H 1 4.324 0.000 . 1 . . . . 11 THR HB . 15671 1 881 . 4 3 11 11 THR HG21 H 1 1.232 0.001 . . . . . . 11 THR QG2 . 15671 1 882 . 4 3 11 11 THR HG22 H 1 1.232 0.001 . . . . . . 11 THR QG2 . 15671 1 883 . 4 3 11 11 THR HG23 H 1 1.232 0.001 . . . . . . 11 THR QG2 . 15671 1 884 . 4 3 12 12 GLY H H 1 8.489 0.001 . 1 . . . . 12 GLY H . 15671 1 885 . 4 3 12 12 GLY HA2 H 1 4.035 0.000 . 2 . . . . 12 GLY HA2 . 15671 1 886 . 4 3 12 12 GLY HA3 H 1 4.000 0.000 . 2 . . . . 12 GLY HA3 . 15671 1 887 . 4 3 13 13 GLY H H 1 8.369 0.000 . 1 . . . . 13 GLY H . 15671 1 888 . 4 3 13 13 GLY HA2 H 1 3.939 0.000 . 2 . . . . 13 GLY QA . 15671 1 889 . 4 3 13 13 GLY HA3 H 1 3.939 0.000 . 2 . . . . 13 GLY QA . 15671 1 stop_ save_