data_11473 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11473 _Entry.Title ; Solution structure of the CERT PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-25 _Entry.Accession_date 2012-02-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Toshihiko Sugiki . . . 11473 2 Koh Takeuchi . . . 11473 3 Yuji Tokunaga . . . 11473 4 Keigo Kumagai . . . 11473 5 Miyuki Kawano . . . 11473 6 Masahiro Nishijima . . . 11473 7 Kentaro Hanada . . . 11473 8 Hideo Takahashi . . . 11473 9 Ichio Shimada . . . 11473 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 1 'not applicable' 'not applicable' . 11473 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'pleckstrin homology' . 11473 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11473 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 11473 '15N chemical shifts' 98 11473 '1H chemical shifts' 587 11473 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 . . 2012-08-30 2012-02-25 update BMRB 'update chemical shifts, etc.' 11473 1 . . 2012-08-13 2012-02-25 original author 'original release' 11473 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSG 'BMRB Entry Tracking System' 11473 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 11473 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22869376 _Citation.Full_citation . _Citation.Title 'Structural basis for the Golgi-association by the pleckstrin homology domain of the ceramide trafficking protein CERT' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2012 _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 Toshihiko Sugiki . . . 11473 1 2 Koh Takeuchi . . . 11473 1 3 Yuji Tokunaga . . . 11473 1 4 Hiroaki Terasawa . . . 11473 1 5 Keigo Kumagai . . . 11473 1 6 Miyuki Kawano . . . 11473 1 7 Masahiro Nishijima . . . 11473 1 8 Kentaro Hanada . . . 11473 1 9 Hideo Takahashi . . . 11473 1 10 Ichio Shimada . . . 11473 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11473 _Assembly.ID 1 _Assembly.Name 'CERT PH domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CERT PH domain' 1 $CERT A . yes native no no . . . 11473 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CERT _Entity.Sf_category entity _Entity.Sf_framecode CERT _Entity.Entry_ID 11473 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CERT _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 ; VERCGVLSKWTNYIHGWQDR WVVLKNNALSYYKSEDETEY GCRGSICLSKAVITPHDFDE CRFDISVNDSVWYLRAQDPD HRQQWIDAIEQHKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11180.480 _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 PDB 2RSG . "Solution Structure Of The Cert Ph Domain" . . . . . 100.00 94 100.00 100.00 6.76e-63 . . . . 11473 1 2 no PDB 4HHV . "Crystal Structure Of Ceramide Transfer Protein Pleckstrin Homology Domain" . . . . . 100.00 105 100.00 100.00 7.84e-63 . . . . 11473 1 3 no DBJ BAC03762 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 598 100.00 100.00 2.60e-60 . . . . 11473 1 4 no DBJ BAF84776 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 598 100.00 100.00 2.60e-60 . . . . 11473 1 5 no DBJ BAG53379 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 752 100.00 100.00 3.42e-60 . . . . 11473 1 6 no DBJ BAI45568 . "collagen, type IV, alpha 3 (Goodpasture antigen) binding protein [synthetic construct]" . . . . . 100.00 624 100.00 100.00 3.24e-60 . . . . 11473 1 7 no EMBL CAH92584 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 624 100.00 100.00 2.89e-60 . . . . 11473 1 8 no GB AAD30288 . "goodpasture antigen-binding protein [Homo sapiens]" . . . . . 100.00 624 100.00 100.00 3.24e-60 . . . . 11473 1 9 no GB AAG42046 . "Goodpasture antigen-binding protein D26 [Homo sapiens]" . . . . . 100.00 598 100.00 100.00 2.60e-60 . . . . 11473 1 10 no GB AAG42047 . "Goodpasture antigen-binding protein [Bos taurus]" . . . . . 100.00 624 98.94 98.94 1.02e-59 . . . . 11473 1 11 no GB AAG42049 . "Goodpasture antigen-binding protein D26 [Bos taurus]" . . . . . 100.00 598 98.94 98.94 1.05e-59 . . . . 11473 1 12 no GB AAH00102 . "COL4A3BP protein [Homo sapiens]" . . . . . 100.00 598 100.00 100.00 2.60e-60 . . . . 11473 1 13 no REF NP_001102405 . "collagen type IV alpha-3-binding protein [Rattus norvegicus]" . . . . . 100.00 624 97.87 98.94 3.21e-59 . . . . 11473 1 14 no REF NP_001123577 . "collagen type IV alpha-3-binding protein isoform 3 [Homo sapiens]" . . . . . 100.00 752 100.00 100.00 3.42e-60 . . . . 11473 1 15 no REF NP_001126514 . "collagen type IV alpha-3-binding protein [Pongo abelii]" . . . . . 100.00 624 100.00 100.00 2.89e-60 . . . . 11473 1 16 no REF NP_001230955 . "collagen type IV alpha-3-binding protein [Cricetulus griseus]" . . . . . 100.00 624 98.94 98.94 1.39e-59 . . . . 11473 1 17 no REF NP_005704 . "collagen type IV alpha-3-binding protein isoform 1 [Homo sapiens]" . . . . . 100.00 624 100.00 100.00 3.24e-60 . . . . 11473 1 18 no SP Q5R6M6 . "RecName: Full=Collagen type IV alpha-3-binding protein; AltName: Full=Ceramide transfer protein; AltName: Full=START domain-con" . . . . . 100.00 624 100.00 100.00 2.89e-60 . . . . 11473 1 19 no SP Q6VVX2 . "RecName: Full=Collagen type IV alpha-3-binding protein; AltName: Full=Ceramide transfer protein" . . . . . 100.00 598 98.94 98.94 1.12e-59 . . . . 11473 1 20 no SP Q9GKI7 . "RecName: Full=Collagen type IV alpha-3-binding protein; AltName: Full=Ceramide transfer protein; AltName: Full=Goodpasture anti" . . . . . 100.00 624 98.94 98.94 1.02e-59 . . . . 11473 1 21 no SP Q9Y5P4 . "RecName: Full=Collagen type IV alpha-3-binding protein; AltName: Full=Ceramide transfer protein; Short=hCERT; AltName: Full=Goo" . . . . . 100.00 624 100.00 100.00 3.24e-60 . . . . 11473 1 22 no TPG DAA25918 . "TPA: collagen type IV alpha-3-binding protein [Bos taurus]" . . . . . 100.00 624 98.94 98.94 1.02e-59 . . . . 11473 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 24 VAL . 11473 1 2 25 GLU . 11473 1 3 26 ARG . 11473 1 4 27 CYS . 11473 1 5 28 GLY . 11473 1 6 29 VAL . 11473 1 7 30 LEU . 11473 1 8 31 SER . 11473 1 9 32 LYS . 11473 1 10 33 TRP . 11473 1 11 34 THR . 11473 1 12 35 ASN . 11473 1 13 36 TYR . 11473 1 14 37 ILE . 11473 1 15 38 HIS . 11473 1 16 39 GLY . 11473 1 17 40 TRP . 11473 1 18 41 GLN . 11473 1 19 42 ASP . 11473 1 20 43 ARG . 11473 1 21 44 TRP . 11473 1 22 45 VAL . 11473 1 23 46 VAL . 11473 1 24 47 LEU . 11473 1 25 48 LYS . 11473 1 26 49 ASN . 11473 1 27 50 ASN . 11473 1 28 51 ALA . 11473 1 29 52 LEU . 11473 1 30 53 SER . 11473 1 31 54 TYR . 11473 1 32 55 TYR . 11473 1 33 56 LYS . 11473 1 34 57 SER . 11473 1 35 58 GLU . 11473 1 36 59 ASP . 11473 1 37 60 GLU . 11473 1 38 61 THR . 11473 1 39 62 GLU . 11473 1 40 63 TYR . 11473 1 41 64 GLY . 11473 1 42 65 CYS . 11473 1 43 66 ARG . 11473 1 44 67 GLY . 11473 1 45 68 SER . 11473 1 46 69 ILE . 11473 1 47 70 CYS . 11473 1 48 71 LEU . 11473 1 49 72 SER . 11473 1 50 73 LYS . 11473 1 51 74 ALA . 11473 1 52 75 VAL . 11473 1 53 76 ILE . 11473 1 54 77 THR . 11473 1 55 78 PRO . 11473 1 56 79 HIS . 11473 1 57 80 ASP . 11473 1 58 81 PHE . 11473 1 59 82 ASP . 11473 1 60 83 GLU . 11473 1 61 84 CYS . 11473 1 62 85 ARG . 11473 1 63 86 PHE . 11473 1 64 87 ASP . 11473 1 65 88 ILE . 11473 1 66 89 SER . 11473 1 67 90 VAL . 11473 1 68 91 ASN . 11473 1 69 92 ASP . 11473 1 70 93 SER . 11473 1 71 94 VAL . 11473 1 72 95 TRP . 11473 1 73 96 TYR . 11473 1 74 97 LEU . 11473 1 75 98 ARG . 11473 1 76 99 ALA . 11473 1 77 100 GLN . 11473 1 78 101 ASP . 11473 1 79 102 PRO . 11473 1 80 103 ASP . 11473 1 81 104 HIS . 11473 1 82 105 ARG . 11473 1 83 106 GLN . 11473 1 84 107 GLN . 11473 1 85 108 TRP . 11473 1 86 109 ILE . 11473 1 87 110 ASP . 11473 1 88 111 ALA . 11473 1 89 112 ILE . 11473 1 90 113 GLU . 11473 1 91 114 GLN . 11473 1 92 115 HIS . 11473 1 93 116 LYS . 11473 1 94 117 THR . 11473 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 . VAL 1 1 11473 1 . GLU 2 2 11473 1 . ARG 3 3 11473 1 . CYS 4 4 11473 1 . GLY 5 5 11473 1 . VAL 6 6 11473 1 . LEU 7 7 11473 1 . SER 8 8 11473 1 . LYS 9 9 11473 1 . TRP 10 10 11473 1 . THR 11 11 11473 1 . ASN 12 12 11473 1 . TYR 13 13 11473 1 . ILE 14 14 11473 1 . HIS 15 15 11473 1 . GLY 16 16 11473 1 . TRP 17 17 11473 1 . GLN 18 18 11473 1 . ASP 19 19 11473 1 . ARG 20 20 11473 1 . TRP 21 21 11473 1 . VAL 22 22 11473 1 . VAL 23 23 11473 1 . LEU 24 24 11473 1 . LYS 25 25 11473 1 . ASN 26 26 11473 1 . ASN 27 27 11473 1 . ALA 28 28 11473 1 . LEU 29 29 11473 1 . SER 30 30 11473 1 . TYR 31 31 11473 1 . TYR 32 32 11473 1 . LYS 33 33 11473 1 . SER 34 34 11473 1 . GLU 35 35 11473 1 . ASP 36 36 11473 1 . GLU 37 37 11473 1 . THR 38 38 11473 1 . GLU 39 39 11473 1 . TYR 40 40 11473 1 . GLY 41 41 11473 1 . CYS 42 42 11473 1 . ARG 43 43 11473 1 . GLY 44 44 11473 1 . SER 45 45 11473 1 . ILE 46 46 11473 1 . CYS 47 47 11473 1 . LEU 48 48 11473 1 . SER 49 49 11473 1 . LYS 50 50 11473 1 . ALA 51 51 11473 1 . VAL 52 52 11473 1 . ILE 53 53 11473 1 . THR 54 54 11473 1 . PRO 55 55 11473 1 . HIS 56 56 11473 1 . ASP 57 57 11473 1 . PHE 58 58 11473 1 . ASP 59 59 11473 1 . GLU 60 60 11473 1 . CYS 61 61 11473 1 . ARG 62 62 11473 1 . PHE 63 63 11473 1 . ASP 64 64 11473 1 . ILE 65 65 11473 1 . SER 66 66 11473 1 . VAL 67 67 11473 1 . ASN 68 68 11473 1 . ASP 69 69 11473 1 . SER 70 70 11473 1 . VAL 71 71 11473 1 . TRP 72 72 11473 1 . TYR 73 73 11473 1 . LEU 74 74 11473 1 . ARG 75 75 11473 1 . ALA 76 76 11473 1 . GLN 77 77 11473 1 . ASP 78 78 11473 1 . PRO 79 79 11473 1 . ASP 80 80 11473 1 . HIS 81 81 11473 1 . ARG 82 82 11473 1 . GLN 83 83 11473 1 . GLN 84 84 11473 1 . TRP 85 85 11473 1 . ILE 86 86 11473 1 . ASP 87 87 11473 1 . ALA 88 88 11473 1 . ILE 89 89 11473 1 . GLU 90 90 11473 1 . GLN 91 91 11473 1 . HIS 92 92 11473 1 . LYS 93 93 11473 1 . THR 94 94 11473 1 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 11473 _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 $CERT . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11473 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 11473 _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 $CERT . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 11473 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11473 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CERT '[U-98% 15N]' . . 1 $CERT . protein 0.2 . . mM . . . . 11473 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 11473 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11473 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11473 1 5 H2O . . . . . . solvent 93 . . % . . . . 11473 1 6 D2O . . . . . . solvent 7 . . % . . . . 11473 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11473 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 CERT '[U-98% 13C; U-98% 15N]' . . 1 $CERT . . 0.2 . . mM . . . . 11473 2 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 11473 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11473 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11473 2 5 H2O . . . . . . solvent 93 . . % . . . . 11473 2 6 D2O . . . . . . solvent 7 . . % . . . . 11473 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11473 _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 7.20 . pH 11473 1 pressure 1 . atm 11473 1 temperature 298 . K 11473 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11473 _Software.ID 1 _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' . . 11473 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11473 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11473 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11473 _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 . 800 . . . 11473 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 11473 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 7 '4D 13C 15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11473 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 11473 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11473 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11473 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11473 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 11473 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11473 1 2 '3D HNCACB' . . . 11473 1 3 '3D CBCA(CO)NH' . . . 11473 1 4 '3D HNCO' . . . 11473 1 5 '3D HN(CO)CA' . . . 11473 1 6 '3D 1H-15N NOESY' . . . 11473 1 7 '4D 13C 15N NOESY' . . . 11473 1 8 '3D HCCH-TOCSY' . . . 11473 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 VAL H H 1 8.126 0.002 . 1 . . . A 24 VAL H1 . 11473 1 2 . 1 1 1 1 VAL HA H 1 4.070 0.006 . 1 . . . A 24 VAL HA . 11473 1 3 . 1 1 1 1 VAL HB H 1 2.071 0.007 . 1 . . . A 24 VAL HB . 11473 1 4 . 1 1 1 1 VAL HG11 H 1 0.923 0.000 . 2 . . . A 24 VAL HG11 . 11473 1 5 . 1 1 1 1 VAL HG12 H 1 0.923 0.000 . 2 . . . A 24 VAL HG12 . 11473 1 6 . 1 1 1 1 VAL HG13 H 1 0.923 0.000 . 2 . . . A 24 VAL HG13 . 11473 1 7 . 1 1 1 1 VAL HG21 H 1 0.923 0.000 . 2 . . . A 24 VAL HG21 . 11473 1 8 . 1 1 1 1 VAL HG22 H 1 0.923 0.000 . 2 . . . A 24 VAL HG22 . 11473 1 9 . 1 1 1 1 VAL HG23 H 1 0.923 0.000 . 2 . . . A 24 VAL HG23 . 11473 1 10 . 1 1 1 1 VAL C C 13 175.862 0.000 . 1 . . . A 24 VAL C . 11473 1 11 . 1 1 1 1 VAL CA C 13 62.562 0.009 . 1 . . . A 24 VAL CA . 11473 1 12 . 1 1 1 1 VAL CB C 13 32.877 0.269 . 1 . . . A 24 VAL CB . 11473 1 13 . 1 1 1 1 VAL N N 15 120.111 0.054 . 1 . . . A 24 VAL N . 11473 1 14 . 1 1 2 2 GLU H H 1 8.490 0.007 . 1 . . . A 25 GLU H . 11473 1 15 . 1 1 2 2 GLU HA H 1 4.670 0.003 . 1 . . . A 25 GLU HA . 11473 1 16 . 1 1 2 2 GLU HB2 H 1 2.006 0.002 . 2 . . . A 25 GLU HB2 . 11473 1 17 . 1 1 2 2 GLU HB3 H 1 1.868 0.000 . 2 . . . A 25 GLU HB3 . 11473 1 18 . 1 1 2 2 GLU HG2 H 1 2.251 0.001 . 2 . . . A 25 GLU HG2 . 11473 1 19 . 1 1 2 2 GLU HG3 H 1 2.251 0.001 . 2 . . . A 25 GLU HG3 . 11473 1 20 . 1 1 2 2 GLU C C 13 176.071 0.000 . 1 . . . A 25 GLU C . 11473 1 21 . 1 1 2 2 GLU CA C 13 56.042 0.049 . 1 . . . A 25 GLU CA . 11473 1 22 . 1 1 2 2 GLU CB C 13 31.249 0.043 . 1 . . . A 25 GLU CB . 11473 1 23 . 1 1 2 2 GLU CG C 13 36.362 0.028 . 1 . . . A 25 GLU CG . 11473 1 24 . 1 1 2 2 GLU N N 15 126.106 0.041 . 1 . . . A 25 GLU N . 11473 1 25 . 1 1 3 3 ARG H H 1 8.188 0.005 . 1 . . . A 26 ARG H . 11473 1 26 . 1 1 3 3 ARG HA H 1 4.455 0.004 . 1 . . . A 26 ARG HA . 11473 1 27 . 1 1 3 3 ARG HB2 H 1 1.375 0.001 . 2 . . . A 26 ARG HB2 . 11473 1 28 . 1 1 3 3 ARG HB3 H 1 1.090 0.003 . 2 . . . A 26 ARG HB3 . 11473 1 29 . 1 1 3 3 ARG HG2 H 1 1.097 0.001 . 2 . . . A 26 ARG HG2 . 11473 1 30 . 1 1 3 3 ARG C C 13 173.022 0.000 . 1 . . . A 26 ARG C . 11473 1 31 . 1 1 3 3 ARG CA C 13 55.642 0.044 . 1 . . . A 26 ARG CA . 11473 1 32 . 1 1 3 3 ARG CB C 13 33.590 0.149 . 1 . . . A 26 ARG CB . 11473 1 33 . 1 1 3 3 ARG CG C 13 27.910 0.035 . 1 . . . A 26 ARG CG . 11473 1 34 . 1 1 3 3 ARG CD C 13 42.767 0.047 . 1 . . . A 26 ARG CD . 11473 1 35 . 1 1 3 3 ARG N N 15 121.101 0.079 . 1 . . . A 26 ARG N . 11473 1 36 . 1 1 4 4 CYS H H 1 8.476 0.002 . 1 . . . A 27 CYS H . 11473 1 37 . 1 1 4 4 CYS HA H 1 5.838 0.001 . 1 . . . A 27 CYS HA . 11473 1 38 . 1 1 4 4 CYS HB2 H 1 2.968 0.005 . 2 . . . A 27 CYS HB2 . 11473 1 39 . 1 1 4 4 CYS HB3 H 1 2.604 0.003 . 2 . . . A 27 CYS HB3 . 11473 1 40 . 1 1 4 4 CYS C C 13 173.580 0.000 . 1 . . . A 27 CYS C . 11473 1 41 . 1 1 4 4 CYS CA C 13 54.510 0.019 . 1 . . . A 27 CYS CA . 11473 1 42 . 1 1 4 4 CYS CB C 13 31.823 0.049 . 1 . . . A 27 CYS CB . 11473 1 43 . 1 1 4 4 CYS N N 15 119.927 0.041 . 1 . . . A 27 CYS N . 11473 1 44 . 1 1 5 5 GLY H H 1 8.119 0.005 . 1 . . . A 28 GLY H . 11473 1 45 . 1 1 5 5 GLY HA2 H 1 4.276 0.000 . 2 . . . A 28 GLY HA2 . 11473 1 46 . 1 1 5 5 GLY HA3 H 1 4.276 0.000 . 2 . . . A 28 GLY HA3 . 11473 1 47 . 1 1 5 5 GLY C C 13 170.256 0.000 . 1 . . . A 28 GLY C . 11473 1 48 . 1 1 5 5 GLY CA C 13 45.593 0.057 . 1 . . . A 28 GLY CA . 11473 1 49 . 1 1 5 5 GLY N N 15 108.641 0.135 . 1 . . . A 28 GLY N . 11473 1 50 . 1 1 6 6 VAL H H 1 8.560 0.002 . 1 . . . A 29 VAL H . 11473 1 51 . 1 1 6 6 VAL HA H 1 4.928 0.004 . 1 . . . A 29 VAL HA . 11473 1 52 . 1 1 6 6 VAL HB H 1 2.029 0.003 . 1 . . . A 29 VAL HB . 11473 1 53 . 1 1 6 6 VAL HG11 H 1 0.921 0.011 . 2 . . . A 29 VAL HG11 . 11473 1 54 . 1 1 6 6 VAL HG12 H 1 0.921 0.011 . 2 . . . A 29 VAL HG12 . 11473 1 55 . 1 1 6 6 VAL HG13 H 1 0.921 0.011 . 2 . . . A 29 VAL HG13 . 11473 1 56 . 1 1 6 6 VAL HG21 H 1 0.921 0.077 . 2 . . . A 29 VAL HG21 . 11473 1 57 . 1 1 6 6 VAL HG22 H 1 0.921 0.077 . 2 . . . A 29 VAL HG22 . 11473 1 58 . 1 1 6 6 VAL HG23 H 1 0.921 0.077 . 2 . . . A 29 VAL HG23 . 11473 1 59 . 1 1 6 6 VAL C C 13 177.955 0.000 . 1 . . . A 29 VAL C . 11473 1 60 . 1 1 6 6 VAL CA C 13 62.380 0.046 . 1 . . . A 29 VAL CA . 11473 1 61 . 1 1 6 6 VAL CB C 13 32.750 0.045 . 1 . . . A 29 VAL CB . 11473 1 62 . 1 1 6 6 VAL CG1 C 13 22.709 0.011 . 2 . . . A 29 VAL CG1 . 11473 1 63 . 1 1 6 6 VAL CG2 C 13 21.142 0.077 . 2 . . . A 29 VAL CG2 . 11473 1 64 . 1 1 6 6 VAL N N 15 119.786 0.034 . 1 . . . A 29 VAL N . 11473 1 65 . 1 1 7 7 LEU H H 1 8.894 0.002 . 1 . . . A 30 LEU H . 11473 1 66 . 1 1 7 7 LEU HA H 1 4.545 0.015 . 1 . . . A 30 LEU HA . 11473 1 67 . 1 1 7 7 LEU HB2 H 1 1.364 0.006 . 2 . . . A 30 LEU HB2 . 11473 1 68 . 1 1 7 7 LEU HB3 H 1 1.364 0.006 . 2 . . . A 30 LEU HB3 . 11473 1 69 . 1 1 7 7 LEU HG H 1 1.146 0.003 . 1 . . . A 30 LEU HG . 11473 1 70 . 1 1 7 7 LEU HD11 H 1 0.960 0.004 . 2 . . . A 30 LEU HD11 . 11473 1 71 . 1 1 7 7 LEU HD12 H 1 0.960 0.004 . 2 . . . A 30 LEU HD12 . 11473 1 72 . 1 1 7 7 LEU HD13 H 1 0.960 0.004 . 2 . . . A 30 LEU HD13 . 11473 1 73 . 1 1 7 7 LEU HD21 H 1 0.909 0.004 . 2 . . . A 30 LEU HD21 . 11473 1 74 . 1 1 7 7 LEU HD22 H 1 0.909 0.004 . 2 . . . A 30 LEU HD22 . 11473 1 75 . 1 1 7 7 LEU HD23 H 1 0.909 0.004 . 2 . . . A 30 LEU HD23 . 11473 1 76 . 1 1 7 7 LEU C C 13 174.734 0.000 . 1 . . . A 30 LEU C . 11473 1 77 . 1 1 7 7 LEU CA C 13 53.506 0.037 . 1 . . . A 30 LEU CA . 11473 1 78 . 1 1 7 7 LEU CB C 13 47.419 0.081 . 1 . . . A 30 LEU CB . 11473 1 79 . 1 1 7 7 LEU CG C 13 26.880 0.006 . 1 . . . A 30 LEU CG . 11473 1 80 . 1 1 7 7 LEU CD1 C 13 25.053 0.008 . 2 . . . A 30 LEU CD1 . 11473 1 81 . 1 1 7 7 LEU CD2 C 13 23.300 0.008 . 2 . . . A 30 LEU CD2 . 11473 1 82 . 1 1 7 7 LEU N N 15 128.350 0.030 . 1 . . . A 30 LEU N . 11473 1 83 . 1 1 8 8 SER H H 1 8.068 0.002 . 1 . . . A 31 SER H . 11473 1 84 . 1 1 8 8 SER HA H 1 4.909 0.001 . 1 . . . A 31 SER HA . 11473 1 85 . 1 1 8 8 SER HB2 H 1 3.735 0.000 . 2 . . . A 31 SER HB2 . 11473 1 86 . 1 1 8 8 SER HB3 H 1 3.735 0.000 . 2 . . . A 31 SER HB3 . 11473 1 87 . 1 1 8 8 SER C C 13 173.681 0.000 . 1 . . . A 31 SER C . 11473 1 88 . 1 1 8 8 SER CA C 13 57.686 0.174 . 1 . . . A 31 SER CA . 11473 1 89 . 1 1 8 8 SER CB C 13 63.608 0.043 . 1 . . . A 31 SER CB . 11473 1 90 . 1 1 8 8 SER N N 15 114.900 0.036 . 1 . . . A 31 SER N . 11473 1 91 . 1 1 9 9 LYS H H 1 9.430 0.003 . 1 . . . A 32 LYS H . 11473 1 92 . 1 1 9 9 LYS HA H 1 5.525 0.012 . 1 . . . A 32 LYS HA . 11473 1 93 . 1 1 9 9 LYS HB2 H 1 1.359 0.010 . 2 . . . A 32 LYS HB2 . 11473 1 94 . 1 1 9 9 LYS HG2 H 1 0.816 0.003 . 2 . . . A 32 LYS HG2 . 11473 1 95 . 1 1 9 9 LYS HG3 H 1 0.816 0.003 . 2 . . . A 32 LYS HG3 . 11473 1 96 . 1 1 9 9 LYS C C 13 175.556 0.000 . 1 . . . A 32 LYS C . 11473 1 97 . 1 1 9 9 LYS CA C 13 54.018 0.107 . 1 . . . A 32 LYS CA . 11473 1 98 . 1 1 9 9 LYS CB C 13 37.295 0.103 . 1 . . . A 32 LYS CB . 11473 1 99 . 1 1 9 9 LYS CG C 13 24.840 0.052 . 1 . . . A 32 LYS CG . 11473 1 100 . 1 1 9 9 LYS CD C 13 28.585 0.273 . 1 . . . A 32 LYS CD . 11473 1 101 . 1 1 9 9 LYS CE C 13 41.449 0.284 . 1 . . . A 32 LYS CE . 11473 1 102 . 1 1 9 9 LYS N N 15 128.766 0.045 . 1 . . . A 32 LYS N . 11473 1 103 . 1 1 10 10 TRP H H 1 7.941 0.006 . 1 . . . A 33 TRP H . 11473 1 104 . 1 1 10 10 TRP HA H 1 3.463 0.022 . 1 . . . A 33 TRP HA . 11473 1 105 . 1 1 10 10 TRP HB2 H 1 2.487 0.003 . 2 . . . A 33 TRP HB2 . 11473 1 106 . 1 1 10 10 TRP HB3 H 1 2.487 0.003 . 2 . . . A 33 TRP HB3 . 11473 1 107 . 1 1 10 10 TRP HD1 H 1 6.906 0.000 . 1 . . . A 33 TRP HD1 . 11473 1 108 . 1 1 10 10 TRP HE1 H 1 9.877 0.014 . 1 . . . A 33 TRP HE1 . 11473 1 109 . 1 1 10 10 TRP HE3 H 1 6.908 0.000 . 1 . . . A 33 TRP HE3 . 11473 1 110 . 1 1 10 10 TRP HZ2 H 1 6.416 0.000 . 1 . . . A 33 TRP HZ2 . 11473 1 111 . 1 1 10 10 TRP HZ3 H 1 6.719 0.006 . 1 . . . A 33 TRP HZ3 . 11473 1 112 . 1 1 10 10 TRP HH2 H 1 6.687 0.000 . 1 . . . A 33 TRP HH2 . 11473 1 113 . 1 1 10 10 TRP C C 13 176.223 0.000 . 1 . . . A 33 TRP C . 11473 1 114 . 1 1 10 10 TRP CA C 13 58.895 0.051 . 1 . . . A 33 TRP CA . 11473 1 115 . 1 1 10 10 TRP CB C 13 28.816 0.050 . 1 . . . A 33 TRP CB . 11473 1 116 . 1 1 10 10 TRP CZ2 C 13 113.865 0.000 . 1 . . . A 33 TRP CZ2 . 11473 1 117 . 1 1 10 10 TRP CZ3 C 13 121.928 0.000 . 1 . . . A 33 TRP CZ3 . 11473 1 118 . 1 1 10 10 TRP CH2 C 13 124.445 0.000 . 1 . . . A 33 TRP CH2 . 11473 1 119 . 1 1 10 10 TRP N N 15 131.192 0.042 . 1 . . . A 33 TRP N . 11473 1 120 . 1 1 10 10 TRP NE1 N 15 129.777 0.152 . 1 . . . A 33 TRP NE1 . 11473 1 121 . 1 1 11 11 THR H H 1 7.545 0.023 . 1 . . . A 34 THR H . 11473 1 122 . 1 1 11 11 THR HB H 1 3.694 0.002 . 1 . . . A 34 THR HB . 11473 1 123 . 1 1 11 11 THR HG21 H 1 0.927 0.001 . 1 . . . A 34 THR HG21 . 11473 1 124 . 1 1 11 11 THR HG22 H 1 0.927 0.001 . 1 . . . A 34 THR HG22 . 11473 1 125 . 1 1 11 11 THR HG23 H 1 0.927 0.001 . 1 . . . A 34 THR HG23 . 11473 1 126 . 1 1 11 11 THR CA C 13 62.702 0.000 . 1 . . . A 34 THR CA . 11473 1 127 . 1 1 11 11 THR CB C 13 69.108 0.010 . 1 . . . A 34 THR CB . 11473 1 128 . 1 1 11 11 THR CG2 C 13 21.513 0.000 . 1 . . . A 34 THR CG2 . 11473 1 129 . 1 1 11 11 THR N N 15 124.040 0.070 . 1 . . . A 34 THR N . 11473 1 130 . 1 1 12 12 ASN HD21 H 1 6.837 0.005 . 2 . . . A 35 ASN HD21 . 11473 1 131 . 1 1 12 12 ASN HD22 H 1 7.573 0.000 . 2 . . . A 35 ASN HD22 . 11473 1 132 . 1 1 12 12 ASN ND2 N 15 114.345 0.048 . 1 . . . A 35 ASN ND2 . 11473 1 133 . 1 1 13 13 TYR HB2 H 1 3.111 0.016 . 2 . . . A 36 TYR HB2 . 11473 1 134 . 1 1 13 13 TYR HB3 H 1 3.111 0.016 . 2 . . . A 36 TYR HB3 . 11473 1 135 . 1 1 13 13 TYR HD1 H 1 7.266 0.014 . 3 . . . A 36 TYR HD1 . 11473 1 136 . 1 1 13 13 TYR HD2 H 1 7.266 0.014 . 3 . . . A 36 TYR HD2 . 11473 1 137 . 1 1 13 13 TYR HE1 H 1 6.870 0.008 . 3 . . . A 36 TYR HE1 . 11473 1 138 . 1 1 13 13 TYR HE2 H 1 6.870 0.008 . 3 . . . A 36 TYR HE2 . 11473 1 139 . 1 1 13 13 TYR CB C 13 37.993 0.095 . 1 . . . A 36 TYR CB . 11473 1 140 . 1 1 13 13 TYR CE1 C 13 118.974 0.000 . 3 . . . A 36 TYR CE1 . 11473 1 141 . 1 1 13 13 TYR CE2 C 13 118.974 0.000 . 3 . . . A 36 TYR CE2 . 11473 1 142 . 1 1 14 14 ILE C C 13 177.177 0.000 . 1 . . . A 37 ILE C . 11473 1 143 . 1 1 15 15 HIS H H 1 7.667 0.005 . 1 . . . A 38 HIS H . 11473 1 144 . 1 1 15 15 HIS HD2 H 1 8.102 0.001 . 1 . . . A 38 HIS HD2 . 11473 1 145 . 1 1 15 15 HIS N N 15 117.279 0.045 . 1 . . . A 38 HIS N . 11473 1 146 . 1 1 16 16 GLY C C 13 174.338 0.000 . 1 . . . A 39 GLY C . 11473 1 147 . 1 1 17 17 TRP H H 1 8.538 0.007 . 1 . . . A 40 TRP H . 11473 1 148 . 1 1 17 17 TRP HA H 1 4.349 0.005 . 1 . . . A 40 TRP HA . 11473 1 149 . 1 1 17 17 TRP HB2 H 1 3.234 0.003 . 2 . . . A 40 TRP HB2 . 11473 1 150 . 1 1 17 17 TRP HB3 H 1 2.962 0.000 . 2 . . . A 40 TRP HB3 . 11473 1 151 . 1 1 17 17 TRP HD1 H 1 7.493 0.003 . 1 . . . A 40 TRP HD1 . 11473 1 152 . 1 1 17 17 TRP HE1 H 1 10.167 0.014 . 1 . . . A 40 TRP HE1 . 11473 1 153 . 1 1 17 17 TRP HE3 H 1 7.453 0.000 . 1 . . . A 40 TRP HE3 . 11473 1 154 . 1 1 17 17 TRP HZ2 H 1 7.023 0.021 . 1 . . . A 40 TRP HZ2 . 11473 1 155 . 1 1 17 17 TRP HZ3 H 1 7.079 0.000 . 1 . . . A 40 TRP HZ3 . 11473 1 156 . 1 1 17 17 TRP C C 13 176.403 0.000 . 1 . . . A 40 TRP C . 11473 1 157 . 1 1 17 17 TRP CA C 13 57.542 0.029 . 1 . . . A 40 TRP CA . 11473 1 158 . 1 1 17 17 TRP CB C 13 28.749 0.041 . 1 . . . A 40 TRP CB . 11473 1 159 . 1 1 17 17 TRP CZ2 C 13 114.242 0.041 . 1 . . . A 40 TRP CZ2 . 11473 1 160 . 1 1 17 17 TRP N N 15 126.880 0.069 . 1 . . . A 40 TRP N . 11473 1 161 . 1 1 17 17 TRP NE1 N 15 130.428 0.081 . 1 . . . A 40 TRP NE1 . 11473 1 162 . 1 1 18 18 GLN H H 1 8.541 0.003 . 1 . . . A 41 GLN H . 11473 1 163 . 1 1 18 18 GLN HA H 1 4.684 0.000 . 1 . . . A 41 GLN HA . 11473 1 164 . 1 1 18 18 GLN HB2 H 1 1.978 0.001 . 2 . . . A 41 GLN HB2 . 11473 1 165 . 1 1 18 18 GLN HB3 H 1 1.607 0.001 . 2 . . . A 41 GLN HB3 . 11473 1 166 . 1 1 18 18 GLN HG2 H 1 2.111 0.003 . 2 . . . A 41 GLN HG2 . 11473 1 167 . 1 1 18 18 GLN HG3 H 1 2.111 0.003 . 2 . . . A 41 GLN HG3 . 11473 1 168 . 1 1 18 18 GLN HE21 H 1 6.811 0.005 . 2 . . . A 41 GLN HE21 . 11473 1 169 . 1 1 18 18 GLN HE22 H 1 7.719 0.001 . 2 . . . A 41 GLN HE22 . 11473 1 170 . 1 1 18 18 GLN C C 13 175.221 0.000 . 1 . . . A 41 GLN C . 11473 1 171 . 1 1 18 18 GLN CA C 13 54.257 0.031 . 1 . . . A 41 GLN CA . 11473 1 172 . 1 1 18 18 GLN CB C 13 33.352 0.055 . 1 . . . A 41 GLN CB . 11473 1 173 . 1 1 18 18 GLN CG C 13 33.940 0.043 . 1 . . . A 41 GLN CG . 11473 1 174 . 1 1 18 18 GLN N N 15 121.908 0.033 . 1 . . . A 41 GLN N . 11473 1 175 . 1 1 18 18 GLN NE2 N 15 114.207 0.059 . 1 . . . A 41 GLN NE2 . 11473 1 176 . 1 1 19 19 ASP H H 1 8.834 0.004 . 1 . . . A 42 ASP H . 11473 1 177 . 1 1 19 19 ASP HA H 1 4.839 0.009 . 1 . . . A 42 ASP HA . 11473 1 178 . 1 1 19 19 ASP HB2 H 1 2.637 0.016 . 2 . . . A 42 ASP HB2 . 11473 1 179 . 1 1 19 19 ASP HB3 H 1 2.476 0.002 . 2 . . . A 42 ASP HB3 . 11473 1 180 . 1 1 19 19 ASP C C 13 176.887 0.000 . 1 . . . A 42 ASP C . 11473 1 181 . 1 1 19 19 ASP CA C 13 55.475 0.096 . 1 . . . A 42 ASP CA . 11473 1 182 . 1 1 19 19 ASP CB C 13 40.385 0.107 . 1 . . . A 42 ASP CB . 11473 1 183 . 1 1 19 19 ASP N N 15 124.316 0.042 . 1 . . . A 42 ASP N . 11473 1 184 . 1 1 20 20 ARG H H 1 9.297 0.003 . 1 . . . A 43 ARG H . 11473 1 185 . 1 1 20 20 ARG HA H 1 4.858 0.003 . 1 . . . A 43 ARG HA . 11473 1 186 . 1 1 20 20 ARG HB2 H 1 2.015 0.003 . 2 . . . A 43 ARG HB2 . 11473 1 187 . 1 1 20 20 ARG HB3 H 1 1.404 0.001 . 2 . . . A 43 ARG HB3 . 11473 1 188 . 1 1 20 20 ARG HG2 H 1 1.633 0.007 . 2 . . . A 43 ARG HG2 . 11473 1 189 . 1 1 20 20 ARG HG3 H 1 1.139 0.005 . 2 . . . A 43 ARG HG3 . 11473 1 190 . 1 1 20 20 ARG HD2 H 1 3.782 0.003 . 2 . . . A 43 ARG HD2 . 11473 1 191 . 1 1 20 20 ARG HD3 H 1 2.927 0.002 . 2 . . . A 43 ARG HD3 . 11473 1 192 . 1 1 20 20 ARG C C 13 173.072 0.000 . 1 . . . A 43 ARG C . 11473 1 193 . 1 1 20 20 ARG CA C 13 52.759 0.047 . 1 . . . A 43 ARG CA . 11473 1 194 . 1 1 20 20 ARG CB C 13 34.146 0.069 . 1 . . . A 43 ARG CB . 11473 1 195 . 1 1 20 20 ARG CG C 13 27.550 0.047 . 1 . . . A 43 ARG CG . 11473 1 196 . 1 1 20 20 ARG CD C 13 43.554 0.062 . 1 . . . A 43 ARG CD . 11473 1 197 . 1 1 20 20 ARG N N 15 123.198 0.051 . 1 . . . A 43 ARG N . 11473 1 198 . 1 1 21 21 TRP H H 1 8.164 0.002 . 1 . . . A 44 TRP H . 11473 1 199 . 1 1 21 21 TRP HA H 1 4.968 0.015 . 1 . . . A 44 TRP HA . 11473 1 200 . 1 1 21 21 TRP HB2 H 1 2.923 0.002 . 2 . . . A 44 TRP HB2 . 11473 1 201 . 1 1 21 21 TRP HB3 H 1 2.856 0.000 . 2 . . . A 44 TRP HB3 . 11473 1 202 . 1 1 21 21 TRP HD1 H 1 6.474 0.007 . 1 . . . A 44 TRP HD1 . 11473 1 203 . 1 1 21 21 TRP HE1 H 1 10.191 0.004 . 1 . . . A 44 TRP HE1 . 11473 1 204 . 1 1 21 21 TRP HE3 H 1 7.502 0.005 . 1 . . . A 44 TRP HE3 . 11473 1 205 . 1 1 21 21 TRP HZ2 H 1 7.484 0.009 . 1 . . . A 44 TRP HZ2 . 11473 1 206 . 1 1 21 21 TRP HZ3 H 1 7.152 0.009 . 1 . . . A 44 TRP HZ3 . 11473 1 207 . 1 1 21 21 TRP HH2 H 1 7.166 0.007 . 1 . . . A 44 TRP HH2 . 11473 1 208 . 1 1 21 21 TRP C C 13 174.590 0.000 . 1 . . . A 44 TRP C . 11473 1 209 . 1 1 21 21 TRP CA C 13 56.402 0.055 . 1 . . . A 44 TRP CA . 11473 1 210 . 1 1 21 21 TRP CB C 13 31.041 0.063 . 1 . . . A 44 TRP CB . 11473 1 211 . 1 1 21 21 TRP CE3 C 13 120.433 0.224 . 1 . . . A 44 TRP CE3 . 11473 1 212 . 1 1 21 21 TRP CZ2 C 13 115.087 0.059 . 1 . . . A 44 TRP CZ2 . 11473 1 213 . 1 1 21 21 TRP CZ3 C 13 121.999 0.288 . 1 . . . A 44 TRP CZ3 . 11473 1 214 . 1 1 21 21 TRP CH2 C 13 125.131 0.000 . 1 . . . A 44 TRP CH2 . 11473 1 215 . 1 1 21 21 TRP N N 15 121.975 0.078 . 1 . . . A 44 TRP N . 11473 1 216 . 1 1 21 21 TRP NE1 N 15 128.351 0.073 . 1 . . . A 44 TRP NE1 . 11473 1 217 . 1 1 22 22 VAL H H 1 8.795 0.001 . 1 . . . A 45 VAL H . 11473 1 218 . 1 1 22 22 VAL HA H 1 5.021 0.012 . 1 . . . A 45 VAL HA . 11473 1 219 . 1 1 22 22 VAL HB H 1 1.692 0.001 . 1 . . . A 45 VAL HB . 11473 1 220 . 1 1 22 22 VAL HG11 H 1 0.758 0.002 . 1 . . . A 45 VAL HG11 . 11473 1 221 . 1 1 22 22 VAL HG12 H 1 0.758 0.002 . 1 . . . A 45 VAL HG12 . 11473 1 222 . 1 1 22 22 VAL HG13 H 1 0.758 0.002 . 1 . . . A 45 VAL HG13 . 11473 1 223 . 1 1 22 22 VAL HG21 H 1 0.645 0.004 . 1 . . . A 45 VAL HG21 . 11473 1 224 . 1 1 22 22 VAL HG22 H 1 0.645 0.004 . 1 . . . A 45 VAL HG22 . 11473 1 225 . 1 1 22 22 VAL HG23 H 1 0.645 0.004 . 1 . . . A 45 VAL HG23 . 11473 1 226 . 1 1 22 22 VAL C C 13 173.777 0.000 . 1 . . . A 45 VAL C . 11473 1 227 . 1 1 22 22 VAL CA C 13 61.366 0.019 . 1 . . . A 45 VAL CA . 11473 1 228 . 1 1 22 22 VAL CB C 13 33.100 0.051 . 1 . . . A 45 VAL CB . 11473 1 229 . 1 1 22 22 VAL CG1 C 13 22.334 0.030 . 2 . . . A 45 VAL CG1 . 11473 1 230 . 1 1 22 22 VAL CG2 C 13 21.707 0.031 . 2 . . . A 45 VAL CG2 . 11473 1 231 . 1 1 22 22 VAL N N 15 129.261 0.039 . 1 . . . A 45 VAL N . 11473 1 232 . 1 1 23 23 VAL H H 1 8.997 0.001 . 1 . . . A 46 VAL H . 11473 1 233 . 1 1 23 23 VAL HA H 1 4.575 0.002 . 1 . . . A 46 VAL HA . 11473 1 234 . 1 1 23 23 VAL HB H 1 2.150 0.003 . 1 . . . A 46 VAL HB . 11473 1 235 . 1 1 23 23 VAL HG11 H 1 1.032 0.000 . 1 . . . A 46 VAL HG11 . 11473 1 236 . 1 1 23 23 VAL HG12 H 1 1.032 0.000 . 1 . . . A 46 VAL HG12 . 11473 1 237 . 1 1 23 23 VAL HG13 H 1 1.032 0.000 . 1 . . . A 46 VAL HG13 . 11473 1 238 . 1 1 23 23 VAL HG21 H 1 1.006 0.005 . 1 . . . A 46 VAL HG21 . 11473 1 239 . 1 1 23 23 VAL HG22 H 1 1.006 0.005 . 1 . . . A 46 VAL HG22 . 11473 1 240 . 1 1 23 23 VAL HG23 H 1 1.006 0.005 . 1 . . . A 46 VAL HG23 . 11473 1 241 . 1 1 23 23 VAL C C 13 174.506 0.000 . 1 . . . A 46 VAL C . 11473 1 242 . 1 1 23 23 VAL CA C 13 61.698 0.073 . 1 . . . A 46 VAL CA . 11473 1 243 . 1 1 23 23 VAL CB C 13 36.190 0.155 . 1 . . . A 46 VAL CB . 11473 1 244 . 1 1 23 23 VAL CG1 C 13 21.769 0.008 . 2 . . . A 46 VAL CG1 . 11473 1 245 . 1 1 23 23 VAL CG2 C 13 21.857 0.111 . 2 . . . A 46 VAL CG2 . 11473 1 246 . 1 1 23 23 VAL N N 15 123.820 0.044 . 1 . . . A 46 VAL N . 11473 1 247 . 1 1 24 24 LEU H H 1 9.414 0.003 . 1 . . . A 47 LEU H . 11473 1 248 . 1 1 24 24 LEU HA H 1 5.218 0.004 . 1 . . . A 47 LEU HA . 11473 1 249 . 1 1 24 24 LEU HB2 H 1 2.105 0.006 . 2 . . . A 47 LEU HB2 . 11473 1 250 . 1 1 24 24 LEU HB3 H 1 1.228 0.006 . 2 . . . A 47 LEU HB3 . 11473 1 251 . 1 1 24 24 LEU HD11 H 1 0.596 0.022 . 2 . . . A 47 LEU HD11 . 11473 1 252 . 1 1 24 24 LEU HD12 H 1 0.596 0.022 . 2 . . . A 47 LEU HD12 . 11473 1 253 . 1 1 24 24 LEU HD13 H 1 0.596 0.022 . 2 . . . A 47 LEU HD13 . 11473 1 254 . 1 1 24 24 LEU HD21 H 1 0.596 0.022 . 2 . . . A 47 LEU HD21 . 11473 1 255 . 1 1 24 24 LEU HD22 H 1 0.596 0.022 . 2 . . . A 47 LEU HD22 . 11473 1 256 . 1 1 24 24 LEU HD23 H 1 0.596 0.022 . 2 . . . A 47 LEU HD23 . 11473 1 257 . 1 1 24 24 LEU C C 13 174.084 0.000 . 1 . . . A 47 LEU C . 11473 1 258 . 1 1 24 24 LEU CA C 13 53.689 0.084 . 1 . . . A 47 LEU CA . 11473 1 259 . 1 1 24 24 LEU CB C 13 44.557 0.102 . 1 . . . A 47 LEU CB . 11473 1 260 . 1 1 24 24 LEU CD1 C 13 27.019 0.100 . 2 . . . A 47 LEU CD1 . 11473 1 261 . 1 1 24 24 LEU CD2 C 13 24.691 0.025 . 2 . . . A 47 LEU CD2 . 11473 1 262 . 1 1 24 24 LEU N N 15 132.151 0.038 . 1 . . . A 47 LEU N . 11473 1 263 . 1 1 25 25 LYS H H 1 8.439 0.009 . 1 . . . A 48 LYS H . 11473 1 264 . 1 1 25 25 LYS HA H 1 4.503 0.002 . 1 . . . A 48 LYS HA . 11473 1 265 . 1 1 25 25 LYS HB2 H 1 1.829 0.001 . 2 . . . A 48 LYS HB2 . 11473 1 266 . 1 1 25 25 LYS HB3 H 1 1.829 0.001 . 2 . . . A 48 LYS HB3 . 11473 1 267 . 1 1 25 25 LYS HG2 H 1 1.323 0.006 . 2 . . . A 48 LYS HG2 . 11473 1 268 . 1 1 25 25 LYS HG3 H 1 1.323 0.006 . 2 . . . A 48 LYS HG3 . 11473 1 269 . 1 1 25 25 LYS HD2 H 1 1.594 0.005 . 2 . . . A 48 LYS HD2 . 11473 1 270 . 1 1 25 25 LYS HD3 H 1 1.594 0.005 . 2 . . . A 48 LYS HD3 . 11473 1 271 . 1 1 25 25 LYS HE2 H 1 2.920 0.001 . 2 . . . A 48 LYS HE2 . 11473 1 272 . 1 1 25 25 LYS HE3 H 1 2.920 0.001 . 2 . . . A 48 LYS HE3 . 11473 1 273 . 1 1 25 25 LYS C C 13 175.371 0.000 . 1 . . . A 48 LYS C . 11473 1 274 . 1 1 25 25 LYS CA C 13 56.680 0.077 . 1 . . . A 48 LYS CA . 11473 1 275 . 1 1 25 25 LYS CB C 13 35.569 0.032 . 1 . . . A 48 LYS CB . 11473 1 276 . 1 1 25 25 LYS CG C 13 24.534 0.039 . 1 . . . A 48 LYS CG . 11473 1 277 . 1 1 25 25 LYS CD C 13 29.830 0.021 . 1 . . . A 48 LYS CD . 11473 1 278 . 1 1 25 25 LYS CE C 13 42.029 0.025 . 1 . . . A 48 LYS CE . 11473 1 279 . 1 1 25 25 LYS N N 15 123.729 0.049 . 1 . . . A 48 LYS N . 11473 1 280 . 1 1 26 26 ASN H H 1 9.810 0.008 . 1 . . . A 49 ASN H . 11473 1 281 . 1 1 26 26 ASN HA H 1 4.483 0.003 . 1 . . . A 49 ASN HA . 11473 1 282 . 1 1 26 26 ASN HB2 H 1 3.030 0.001 . 2 . . . A 49 ASN HB2 . 11473 1 283 . 1 1 26 26 ASN HB3 H 1 2.804 0.002 . 2 . . . A 49 ASN HB3 . 11473 1 284 . 1 1 26 26 ASN HD21 H 1 6.995 0.000 . 2 . . . A 49 ASN HD21 . 11473 1 285 . 1 1 26 26 ASN HD22 H 1 7.684 0.000 . 2 . . . A 49 ASN HD22 . 11473 1 286 . 1 1 26 26 ASN CA C 13 54.713 0.051 . 1 . . . A 49 ASN CA . 11473 1 287 . 1 1 26 26 ASN CB C 13 37.347 0.149 . 1 . . . A 49 ASN CB . 11473 1 288 . 1 1 26 26 ASN N N 15 122.863 0.089 . 1 . . . A 49 ASN N . 11473 1 289 . 1 1 26 26 ASN ND2 N 15 112.596 0.001 . 1 . . . A 49 ASN ND2 . 11473 1 290 . 1 1 27 27 ASN HD21 H 1 6.735 0.000 . 2 . . . A 50 ASN HD21 . 11473 1 291 . 1 1 27 27 ASN HD22 H 1 7.405 0.000 . 2 . . . A 50 ASN HD22 . 11473 1 292 . 1 1 27 27 ASN C C 13 173.896 0.000 . 1 . . . A 50 ASN C . 11473 1 293 . 1 1 27 27 ASN CA C 13 54.115 0.000 . 1 . . . A 50 ASN CA . 11473 1 294 . 1 1 27 27 ASN CB C 13 38.910 0.000 . 1 . . . A 50 ASN CB . 11473 1 295 . 1 1 27 27 ASN ND2 N 15 109.755 0.000 . 1 . . . A 50 ASN ND2 . 11473 1 296 . 1 1 28 28 ALA H H 1 7.971 0.002 . 1 . . . A 51 ALA H . 11473 1 297 . 1 1 28 28 ALA HA H 1 5.164 0.025 . 1 . . . A 51 ALA HA . 11473 1 298 . 1 1 28 28 ALA HB1 H 1 1.278 0.003 . 1 . . . A 51 ALA HB1 . 11473 1 299 . 1 1 28 28 ALA HB2 H 1 1.278 0.003 . 1 . . . A 51 ALA HB2 . 11473 1 300 . 1 1 28 28 ALA HB3 H 1 1.278 0.003 . 1 . . . A 51 ALA HB3 . 11473 1 301 . 1 1 28 28 ALA C C 13 175.051 0.000 . 1 . . . A 51 ALA C . 11473 1 302 . 1 1 28 28 ALA CA C 13 51.351 0.048 . 1 . . . A 51 ALA CA . 11473 1 303 . 1 1 28 28 ALA CB C 13 22.169 0.043 . 1 . . . A 51 ALA CB . 11473 1 304 . 1 1 28 28 ALA N N 15 120.531 0.042 . 1 . . . A 51 ALA N . 11473 1 305 . 1 1 29 29 LEU H H 1 8.381 0.001 . 1 . . . A 52 LEU H . 11473 1 306 . 1 1 29 29 LEU HA H 1 5.423 0.002 . 1 . . . A 52 LEU HA . 11473 1 307 . 1 1 29 29 LEU HB2 H 1 1.706 0.002 . 2 . . . A 52 LEU HB2 . 11473 1 308 . 1 1 29 29 LEU HB3 H 1 1.102 0.003 . 2 . . . A 52 LEU HB3 . 11473 1 309 . 1 1 29 29 LEU HG H 1 1.581 0.005 . 1 . . . A 52 LEU HG . 11473 1 310 . 1 1 29 29 LEU HD11 H 1 0.929 0.001 . 1 . . . A 52 LEU HD11 . 11473 1 311 . 1 1 29 29 LEU HD12 H 1 0.929 0.001 . 1 . . . A 52 LEU HD12 . 11473 1 312 . 1 1 29 29 LEU HD13 H 1 0.929 0.001 . 1 . . . A 52 LEU HD13 . 11473 1 313 . 1 1 29 29 LEU HD21 H 1 0.821 0.000 . 1 . . . A 52 LEU HD21 . 11473 1 314 . 1 1 29 29 LEU HD22 H 1 0.821 0.000 . 1 . . . A 52 LEU HD22 . 11473 1 315 . 1 1 29 29 LEU HD23 H 1 0.821 0.000 . 1 . . . A 52 LEU HD23 . 11473 1 316 . 1 1 29 29 LEU C C 13 175.408 0.000 . 1 . . . A 52 LEU C . 11473 1 317 . 1 1 29 29 LEU CA C 13 52.935 0.026 . 1 . . . A 52 LEU CA . 11473 1 318 . 1 1 29 29 LEU CB C 13 46.318 0.174 . 1 . . . A 52 LEU CB . 11473 1 319 . 1 1 29 29 LEU CG C 13 27.203 0.067 . 1 . . . A 52 LEU CG . 11473 1 320 . 1 1 29 29 LEU CD1 C 13 25.876 0.029 . 2 . . . A 52 LEU CD1 . 11473 1 321 . 1 1 29 29 LEU CD2 C 13 26.121 0.040 . 2 . . . A 52 LEU CD2 . 11473 1 322 . 1 1 29 29 LEU N N 15 121.846 0.046 . 1 . . . A 52 LEU N . 11473 1 323 . 1 1 30 30 SER H H 1 9.161 0.001 . 1 . . . A 53 SER H . 11473 1 324 . 1 1 30 30 SER HA H 1 5.828 0.006 . 1 . . . A 53 SER HA . 11473 1 325 . 1 1 30 30 SER HB2 H 1 3.888 0.009 . 2 . . . A 53 SER HB2 . 11473 1 326 . 1 1 30 30 SER HB3 H 1 3.813 0.003 . 2 . . . A 53 SER HB3 . 11473 1 327 . 1 1 30 30 SER C C 13 172.344 0.000 . 1 . . . A 53 SER C . 11473 1 328 . 1 1 30 30 SER CA C 13 57.183 0.043 . 1 . . . A 53 SER CA . 11473 1 329 . 1 1 30 30 SER CB C 13 66.645 0.010 . 1 . . . A 53 SER CB . 11473 1 330 . 1 1 30 30 SER N N 15 119.067 0.034 . 1 . . . A 53 SER N . 11473 1 331 . 1 1 31 31 TYR H H 1 8.467 0.002 . 1 . . . A 54 TYR H . 11473 1 332 . 1 1 31 31 TYR HA H 1 5.828 0.000 . 1 . . . A 54 TYR HA . 11473 1 333 . 1 1 31 31 TYR HB2 H 1 2.786 0.006 . 2 . . . A 54 TYR HB2 . 11473 1 334 . 1 1 31 31 TYR HB3 H 1 2.397 0.003 . 2 . . . A 54 TYR HB3 . 11473 1 335 . 1 1 31 31 TYR HD1 H 1 6.392 0.020 . 3 . . . A 54 TYR HD1 . 11473 1 336 . 1 1 31 31 TYR HD2 H 1 6.392 0.020 . 3 . . . A 54 TYR HD2 . 11473 1 337 . 1 1 31 31 TYR HE1 H 1 6.264 0.021 . 3 . . . A 54 TYR HE1 . 11473 1 338 . 1 1 31 31 TYR HE2 H 1 6.264 0.021 . 3 . . . A 54 TYR HE2 . 11473 1 339 . 1 1 31 31 TYR C C 13 171.649 0.000 . 1 . . . A 54 TYR C . 11473 1 340 . 1 1 31 31 TYR CA C 13 55.201 0.106 . 1 . . . A 54 TYR CA . 11473 1 341 . 1 1 31 31 TYR CB C 13 42.279 0.086 . 1 . . . A 54 TYR CB . 11473 1 342 . 1 1 31 31 TYR CD1 C 13 132.687 0.098 . 3 . . . A 54 TYR CD1 . 11473 1 343 . 1 1 31 31 TYR CD2 C 13 132.687 0.098 . 3 . . . A 54 TYR CD2 . 11473 1 344 . 1 1 31 31 TYR CE1 C 13 117.378 0.259 . 3 . . . A 54 TYR CE1 . 11473 1 345 . 1 1 31 31 TYR CE2 C 13 117.378 0.259 . 3 . . . A 54 TYR CE2 . 11473 1 346 . 1 1 31 31 TYR N N 15 118.156 0.036 . 1 . . . A 54 TYR N . 11473 1 347 . 1 1 32 32 TYR H H 1 9.504 0.007 . 1 . . . A 55 TYR H . 11473 1 348 . 1 1 32 32 TYR HA H 1 4.591 0.002 . 1 . . . A 55 TYR HA . 11473 1 349 . 1 1 32 32 TYR HB2 H 1 3.370 0.066 . 2 . . . A 55 TYR HB2 . 11473 1 350 . 1 1 32 32 TYR HB3 H 1 2.847 0.009 . 2 . . . A 55 TYR HB3 . 11473 1 351 . 1 1 32 32 TYR HD1 H 1 7.219 0.007 . 3 . . . A 55 TYR HD1 . 11473 1 352 . 1 1 32 32 TYR HD2 H 1 7.219 0.007 . 3 . . . A 55 TYR HD2 . 11473 1 353 . 1 1 32 32 TYR HE1 H 1 6.742 0.008 . 3 . . . A 55 TYR HE1 . 11473 1 354 . 1 1 32 32 TYR HE2 H 1 6.742 0.008 . 3 . . . A 55 TYR HE2 . 11473 1 355 . 1 1 32 32 TYR C C 13 175.419 0.000 . 1 . . . A 55 TYR C . 11473 1 356 . 1 1 32 32 TYR CA C 13 56.044 0.037 . 1 . . . A 55 TYR CA . 11473 1 357 . 1 1 32 32 TYR CB C 13 43.153 0.783 . 1 . . . A 55 TYR CB . 11473 1 358 . 1 1 32 32 TYR CD1 C 13 134.366 0.124 . 3 . . . A 55 TYR CD1 . 11473 1 359 . 1 1 32 32 TYR CD2 C 13 134.366 0.124 . 3 . . . A 55 TYR CD2 . 11473 1 360 . 1 1 32 32 TYR CE1 C 13 118.225 0.118 . 3 . . . A 55 TYR CE1 . 11473 1 361 . 1 1 32 32 TYR CE2 C 13 118.225 0.118 . 3 . . . A 55 TYR CE2 . 11473 1 362 . 1 1 32 32 TYR N N 15 119.131 0.034 . 1 . . . A 55 TYR N . 11473 1 363 . 1 1 33 33 LYS H H 1 9.826 0.004 . 1 . . . A 56 LYS H . 11473 1 364 . 1 1 33 33 LYS HA H 1 4.093 0.001 . 1 . . . A 56 LYS HA . 11473 1 365 . 1 1 33 33 LYS HB2 H 1 1.863 0.003 . 2 . . . A 56 LYS HB2 . 11473 1 366 . 1 1 33 33 LYS HB3 H 1 1.863 0.003 . 2 . . . A 56 LYS HB3 . 11473 1 367 . 1 1 33 33 LYS HG2 H 1 1.489 0.001 . 2 . . . A 56 LYS HG2 . 11473 1 368 . 1 1 33 33 LYS HG3 H 1 1.390 0.001 . 2 . . . A 56 LYS HG3 . 11473 1 369 . 1 1 33 33 LYS HD2 H 1 1.716 0.004 . 2 . . . A 56 LYS HD2 . 11473 1 370 . 1 1 33 33 LYS HD3 H 1 1.658 0.007 . 2 . . . A 56 LYS HD3 . 11473 1 371 . 1 1 33 33 LYS HE2 H 1 2.955 0.002 . 2 . . . A 56 LYS HE2 . 11473 1 372 . 1 1 33 33 LYS HE3 H 1 2.955 0.002 . 2 . . . A 56 LYS HE3 . 11473 1 373 . 1 1 33 33 LYS C C 13 175.933 0.000 . 1 . . . A 56 LYS C . 11473 1 374 . 1 1 33 33 LYS CA C 13 60.295 0.076 . 1 . . . A 56 LYS CA . 11473 1 375 . 1 1 33 33 LYS CB C 13 33.219 0.085 . 1 . . . A 56 LYS CB . 11473 1 376 . 1 1 33 33 LYS CG C 13 25.528 0.028 . 1 . . . A 56 LYS CG . 11473 1 377 . 1 1 33 33 LYS CD C 13 29.343 0.081 . 1 . . . A 56 LYS CD . 11473 1 378 . 1 1 33 33 LYS CE C 13 41.910 0.029 . 1 . . . A 56 LYS CE . 11473 1 379 . 1 1 33 33 LYS N N 15 122.957 0.065 . 1 . . . A 56 LYS N . 11473 1 380 . 1 1 34 34 SER H H 1 7.271 0.003 . 1 . . . A 57 SER H . 11473 1 381 . 1 1 34 34 SER HA H 1 4.544 0.001 . 1 . . . A 57 SER HA . 11473 1 382 . 1 1 34 34 SER HB2 H 1 3.897 0.000 . 2 . . . A 57 SER HB2 . 11473 1 383 . 1 1 34 34 SER HB3 H 1 3.897 0.000 . 2 . . . A 57 SER HB3 . 11473 1 384 . 1 1 34 34 SER C C 13 173.332 0.000 . 1 . . . A 57 SER C . 11473 1 385 . 1 1 34 34 SER CA C 13 56.921 0.031 . 1 . . . A 57 SER CA . 11473 1 386 . 1 1 34 34 SER CB C 13 65.097 0.000 . 1 . . . A 57 SER CB . 11473 1 387 . 1 1 34 34 SER N N 15 105.261 0.032 . 1 . . . A 57 SER N . 11473 1 388 . 1 1 35 35 GLU H H 1 8.734 0.002 . 1 . . . A 58 GLU H . 11473 1 389 . 1 1 35 35 GLU HA H 1 3.969 0.000 . 1 . . . A 58 GLU HA . 11473 1 390 . 1 1 35 35 GLU C C 13 176.262 0.000 . 1 . . . A 58 GLU C . 11473 1 391 . 1 1 35 35 GLU CA C 13 58.240 0.045 . 1 . . . A 58 GLU CA . 11473 1 392 . 1 1 35 35 GLU CB C 13 28.699 0.034 . 1 . . . A 58 GLU CB . 11473 1 393 . 1 1 35 35 GLU CG C 13 35.077 0.149 . 1 . . . A 58 GLU CG . 11473 1 394 . 1 1 35 35 GLU N N 15 122.468 0.044 . 1 . . . A 58 GLU N . 11473 1 395 . 1 1 36 36 ASP H H 1 7.765 0.002 . 1 . . . A 59 ASP H . 11473 1 396 . 1 1 36 36 ASP HA H 1 4.339 0.007 . 1 . . . A 59 ASP HA . 11473 1 397 . 1 1 36 36 ASP HB2 H 1 2.585 0.000 . 2 . . . A 59 ASP HB2 . 11473 1 398 . 1 1 36 36 ASP HB3 H 1 2.493 0.000 . 2 . . . A 59 ASP HB3 . 11473 1 399 . 1 1 36 36 ASP C C 13 176.698 0.000 . 1 . . . A 59 ASP C . 11473 1 400 . 1 1 36 36 ASP CA C 13 54.632 0.020 . 1 . . . A 59 ASP CA . 11473 1 401 . 1 1 36 36 ASP CB C 13 40.474 0.056 . 1 . . . A 59 ASP CB . 11473 1 402 . 1 1 36 36 ASP N N 15 114.817 0.031 . 1 . . . A 59 ASP N . 11473 1 403 . 1 1 37 37 GLU H H 1 7.339 0.003 . 1 . . . A 60 GLU H . 11473 1 404 . 1 1 37 37 GLU HA H 1 4.477 0.000 . 1 . . . A 60 GLU HA . 11473 1 405 . 1 1 37 37 GLU HB2 H 1 2.456 0.001 . 2 . . . A 60 GLU HB2 . 11473 1 406 . 1 1 37 37 GLU HB3 H 1 1.897 0.000 . 2 . . . A 60 GLU HB3 . 11473 1 407 . 1 1 37 37 GLU HG2 H 1 2.205 0.002 . 2 . . . A 60 GLU HG2 . 11473 1 408 . 1 1 37 37 GLU HG3 H 1 2.205 0.002 . 2 . . . A 60 GLU HG3 . 11473 1 409 . 1 1 37 37 GLU C C 13 176.842 0.000 . 1 . . . A 60 GLU C . 11473 1 410 . 1 1 37 37 GLU CA C 13 56.176 0.062 . 1 . . . A 60 GLU CA . 11473 1 411 . 1 1 37 37 GLU CB C 13 30.528 0.043 . 1 . . . A 60 GLU CB . 11473 1 412 . 1 1 37 37 GLU CG C 13 37.015 0.088 . 1 . . . A 60 GLU CG . 11473 1 413 . 1 1 37 37 GLU N N 15 118.844 0.060 . 1 . . . A 60 GLU N . 11473 1 414 . 1 1 38 38 THR H H 1 7.471 0.002 . 1 . . . A 61 THR H . 11473 1 415 . 1 1 38 38 THR HA H 1 4.491 0.000 . 1 . . . A 61 THR HA . 11473 1 416 . 1 1 38 38 THR HB H 1 3.896 0.000 . 1 . . . A 61 THR HB . 11473 1 417 . 1 1 38 38 THR HG21 H 1 0.634 0.017 . 1 . . . A 61 THR HG21 . 11473 1 418 . 1 1 38 38 THR HG22 H 1 0.634 0.017 . 1 . . . A 61 THR HG22 . 11473 1 419 . 1 1 38 38 THR HG23 H 1 0.634 0.017 . 1 . . . A 61 THR HG23 . 11473 1 420 . 1 1 38 38 THR C C 13 176.362 0.000 . 1 . . . A 61 THR C . 11473 1 421 . 1 1 38 38 THR CA C 13 63.753 0.039 . 1 . . . A 61 THR CA . 11473 1 422 . 1 1 38 38 THR CB C 13 68.947 0.031 . 1 . . . A 61 THR CB . 11473 1 423 . 1 1 38 38 THR CG2 C 13 20.977 0.002 . 1 . . . A 61 THR CG2 . 11473 1 424 . 1 1 38 38 THR N N 15 111.326 0.040 . 1 . . . A 61 THR N . 11473 1 425 . 1 1 39 39 GLU H H 1 8.311 0.001 . 1 . . . A 62 GLU H . 11473 1 426 . 1 1 39 39 GLU HA H 1 4.050 0.002 . 1 . . . A 62 GLU HA . 11473 1 427 . 1 1 39 39 GLU HB2 H 1 1.726 0.004 . 2 . . . A 62 GLU HB2 . 11473 1 428 . 1 1 39 39 GLU HB3 H 1 1.726 0.004 . 2 . . . A 62 GLU HB3 . 11473 1 429 . 1 1 39 39 GLU HG2 H 1 1.948 0.002 . 2 . . . A 62 GLU HG2 . 11473 1 430 . 1 1 39 39 GLU HG3 H 1 1.844 0.002 . 2 . . . A 62 GLU HG3 . 11473 1 431 . 1 1 39 39 GLU C C 13 176.939 0.000 . 1 . . . A 62 GLU C . 11473 1 432 . 1 1 39 39 GLU CA C 13 58.220 0.047 . 1 . . . A 62 GLU CA . 11473 1 433 . 1 1 39 39 GLU CB C 13 29.465 0.037 . 1 . . . A 62 GLU CB . 11473 1 434 . 1 1 39 39 GLU CG C 13 36.040 0.070 . 1 . . . A 62 GLU CG . 11473 1 435 . 1 1 39 39 GLU N N 15 120.911 0.023 . 1 . . . A 62 GLU N . 11473 1 436 . 1 1 40 40 TYR H H 1 7.787 0.001 . 1 . . . A 63 TYR H . 11473 1 437 . 1 1 40 40 TYR HA H 1 4.759 0.016 . 1 . . . A 63 TYR HA . 11473 1 438 . 1 1 40 40 TYR HB2 H 1 3.260 0.006 . 2 . . . A 63 TYR HB2 . 11473 1 439 . 1 1 40 40 TYR HB3 H 1 2.946 0.000 . 2 . . . A 63 TYR HB3 . 11473 1 440 . 1 1 40 40 TYR HD1 H 1 7.085 0.005 . 3 . . . A 63 TYR HD1 . 11473 1 441 . 1 1 40 40 TYR HD2 H 1 7.085 0.005 . 3 . . . A 63 TYR HD2 . 11473 1 442 . 1 1 40 40 TYR HE1 H 1 6.806 0.005 . 3 . . . A 63 TYR HE1 . 11473 1 443 . 1 1 40 40 TYR HE2 H 1 6.806 0.005 . 3 . . . A 63 TYR HE2 . 11473 1 444 . 1 1 40 40 TYR C C 13 176.371 0.000 . 1 . . . A 63 TYR C . 11473 1 445 . 1 1 40 40 TYR CA C 13 57.571 0.076 . 1 . . . A 63 TYR CA . 11473 1 446 . 1 1 40 40 TYR CB C 13 38.958 0.061 . 1 . . . A 63 TYR CB . 11473 1 447 . 1 1 40 40 TYR CD1 C 13 133.214 0.089 . 3 . . . A 63 TYR CD1 . 11473 1 448 . 1 1 40 40 TYR CD2 C 13 133.214 0.089 . 3 . . . A 63 TYR CD2 . 11473 1 449 . 1 1 40 40 TYR CE1 C 13 118.687 0.000 . 3 . . . A 63 TYR CE1 . 11473 1 450 . 1 1 40 40 TYR CE2 C 13 118.687 0.000 . 3 . . . A 63 TYR CE2 . 11473 1 451 . 1 1 40 40 TYR N N 15 116.433 0.042 . 1 . . . A 63 TYR N . 11473 1 452 . 1 1 41 41 GLY H H 1 7.915 0.002 . 1 . . . A 64 GLY H . 11473 1 453 . 1 1 41 41 GLY HA2 H 1 4.201 0.000 . 2 . . . A 64 GLY HA2 . 11473 1 454 . 1 1 41 41 GLY HA3 H 1 4.201 0.000 . 2 . . . A 64 GLY HA3 . 11473 1 455 . 1 1 41 41 GLY C C 13 173.898 0.000 . 1 . . . A 64 GLY C . 11473 1 456 . 1 1 41 41 GLY CA C 13 45.288 0.031 . 1 . . . A 64 GLY CA . 11473 1 457 . 1 1 41 41 GLY N N 15 108.096 0.254 . 1 . . . A 64 GLY N . 11473 1 458 . 1 1 42 42 CYS H H 1 8.499 0.004 . 1 . . . A 65 CYS H . 11473 1 459 . 1 1 42 42 CYS HA H 1 3.755 0.001 . 1 . . . A 65 CYS HA . 11473 1 460 . 1 1 42 42 CYS HB2 H 1 2.817 0.000 . 2 . . . A 65 CYS HB2 . 11473 1 461 . 1 1 42 42 CYS HB3 H 1 2.582 0.005 . 2 . . . A 65 CYS HB3 . 11473 1 462 . 1 1 42 42 CYS C C 13 175.021 0.000 . 1 . . . A 65 CYS C . 11473 1 463 . 1 1 42 42 CYS CA C 13 59.082 0.172 . 1 . . . A 65 CYS CA . 11473 1 464 . 1 1 42 42 CYS CB C 13 27.405 0.043 . 1 . . . A 65 CYS CB . 11473 1 465 . 1 1 42 42 CYS N N 15 119.968 0.038 . 1 . . . A 65 CYS N . 11473 1 466 . 1 1 43 43 ARG H H 1 8.271 0.002 . 1 . . . A 66 ARG H . 11473 1 467 . 1 1 43 43 ARG HA H 1 4.121 0.005 . 1 . . . A 66 ARG HA . 11473 1 468 . 1 1 43 43 ARG HB2 H 1 1.487 0.002 . 2 . . . A 66 ARG HB2 . 11473 1 469 . 1 1 43 43 ARG HG2 H 1 1.590 0.001 . 2 . . . A 66 ARG HG2 . 11473 1 470 . 1 1 43 43 ARG HG3 H 1 1.529 0.004 . 2 . . . A 66 ARG HG3 . 11473 1 471 . 1 1 43 43 ARG HD2 H 1 3.128 0.003 . 2 . . . A 66 ARG HD2 . 11473 1 472 . 1 1 43 43 ARG HD3 H 1 2.982 0.002 . 2 . . . A 66 ARG HD3 . 11473 1 473 . 1 1 43 43 ARG C C 13 175.713 0.000 . 1 . . . A 66 ARG C . 11473 1 474 . 1 1 43 43 ARG CA C 13 55.339 0.088 . 1 . . . A 66 ARG CA . 11473 1 475 . 1 1 43 43 ARG CB C 13 30.182 0.111 . 1 . . . A 66 ARG CB . 11473 1 476 . 1 1 43 43 ARG CG C 13 27.000 0.043 . 1 . . . A 66 ARG CG . 11473 1 477 . 1 1 43 43 ARG CD C 13 42.935 0.028 . 1 . . . A 66 ARG CD . 11473 1 478 . 1 1 43 43 ARG N N 15 124.228 0.045 . 1 . . . A 66 ARG N . 11473 1 479 . 1 1 44 44 GLY H H 1 6.884 0.006 . 1 . . . A 67 GLY H . 11473 1 480 . 1 1 44 44 GLY HA2 H 1 3.954 0.000 . 2 . . . A 67 GLY HA2 . 11473 1 481 . 1 1 44 44 GLY HA3 H 1 4.105 0.000 . 2 . . . A 67 GLY HA3 . 11473 1 482 . 1 1 44 44 GLY C C 13 171.301 0.000 . 1 . . . A 67 GLY C . 11473 1 483 . 1 1 44 44 GLY CA C 13 45.630 0.016 . 1 . . . A 67 GLY CA . 11473 1 484 . 1 1 44 44 GLY N N 15 106.589 0.048 . 1 . . . A 67 GLY N . 11473 1 485 . 1 1 45 45 SER H H 1 8.520 0.002 . 1 . . . A 68 SER H . 11473 1 486 . 1 1 45 45 SER HA H 1 4.776 0.000 . 1 . . . A 68 SER HA . 11473 1 487 . 1 1 45 45 SER HB2 H 1 3.722 0.000 . 2 . . . A 68 SER HB2 . 11473 1 488 . 1 1 45 45 SER HB3 H 1 4.090 0.000 . 2 . . . A 68 SER HB3 . 11473 1 489 . 1 1 45 45 SER C C 13 173.056 0.000 . 1 . . . A 68 SER C . 11473 1 490 . 1 1 45 45 SER CA C 13 57.897 0.019 . 1 . . . A 68 SER CA . 11473 1 491 . 1 1 45 45 SER CB C 13 65.951 0.009 . 1 . . . A 68 SER CB . 11473 1 492 . 1 1 45 45 SER N N 15 115.168 0.030 . 1 . . . A 68 SER N . 11473 1 493 . 1 1 46 46 ILE H H 1 8.902 0.001 . 1 . . . A 69 ILE H . 11473 1 494 . 1 1 46 46 ILE HA H 1 4.415 0.002 . 1 . . . A 69 ILE HA . 11473 1 495 . 1 1 46 46 ILE HB H 1 1.110 0.004 . 1 . . . A 69 ILE HB . 11473 1 496 . 1 1 46 46 ILE HG12 H 1 0.936 0.002 . 2 . . . A 69 ILE HG12 . 11473 1 497 . 1 1 46 46 ILE HG13 H 1 0.089 0.001 . 2 . . . A 69 ILE HG13 . 11473 1 498 . 1 1 46 46 ILE HG21 H 1 0.126 0.000 . 1 . . . A 69 ILE HG21 . 11473 1 499 . 1 1 46 46 ILE HG22 H 1 0.126 0.000 . 1 . . . A 69 ILE HG22 . 11473 1 500 . 1 1 46 46 ILE HG23 H 1 0.126 0.000 . 1 . . . A 69 ILE HG23 . 11473 1 501 . 1 1 46 46 ILE C C 13 173.763 0.000 . 1 . . . A 69 ILE C . 11473 1 502 . 1 1 46 46 ILE CA C 13 59.660 0.053 . 1 . . . A 69 ILE CA . 11473 1 503 . 1 1 46 46 ILE CB C 13 41.802 0.065 . 1 . . . A 69 ILE CB . 11473 1 504 . 1 1 46 46 ILE CG1 C 13 25.768 0.016 . 1 . . . A 69 ILE CG1 . 11473 1 505 . 1 1 46 46 ILE CG2 C 13 18.401 0.296 . 1 . . . A 69 ILE CG2 . 11473 1 506 . 1 1 46 46 ILE CD1 C 13 12.903 0.010 . 1 . . . A 69 ILE CD1 . 11473 1 507 . 1 1 46 46 ILE N N 15 121.381 0.029 . 1 . . . A 69 ILE N . 11473 1 508 . 1 1 47 47 CYS H H 1 8.422 0.003 . 1 . . . A 70 CYS H . 11473 1 509 . 1 1 47 47 CYS HA H 1 4.487 0.005 . 1 . . . A 70 CYS HA . 11473 1 510 . 1 1 47 47 CYS HB2 H 1 3.030 0.000 . 2 . . . A 70 CYS HB2 . 11473 1 511 . 1 1 47 47 CYS HB3 H 1 2.741 0.000 . 2 . . . A 70 CYS HB3 . 11473 1 512 . 1 1 47 47 CYS C C 13 176.230 0.000 . 1 . . . A 70 CYS C . 11473 1 513 . 1 1 47 47 CYS CA C 13 58.669 0.037 . 1 . . . A 70 CYS CA . 11473 1 514 . 1 1 47 47 CYS CB C 13 27.673 0.013 . 1 . . . A 70 CYS CB . 11473 1 515 . 1 1 47 47 CYS N N 15 124.366 0.062 . 1 . . . A 70 CYS N . 11473 1 516 . 1 1 48 48 LEU H H 1 8.324 0.001 . 1 . . . A 71 LEU H . 11473 1 517 . 1 1 48 48 LEU HA H 1 4.102 0.004 . 1 . . . A 71 LEU HA . 11473 1 518 . 1 1 48 48 LEU HB2 H 1 1.617 0.003 . 2 . . . A 71 LEU HB2 . 11473 1 519 . 1 1 48 48 LEU HB3 H 1 1.392 0.002 . 2 . . . A 71 LEU HB3 . 11473 1 520 . 1 1 48 48 LEU C C 13 177.787 0.000 . 1 . . . A 71 LEU C . 11473 1 521 . 1 1 48 48 LEU CA C 13 55.612 0.033 . 1 . . . A 71 LEU CA . 11473 1 522 . 1 1 48 48 LEU CB C 13 42.141 0.064 . 1 . . . A 71 LEU CB . 11473 1 523 . 1 1 48 48 LEU CG C 13 26.926 0.025 . 1 . . . A 71 LEU CG . 11473 1 524 . 1 1 48 48 LEU CD1 C 13 22.502 0.012 . 2 . . . A 71 LEU CD1 . 11473 1 525 . 1 1 48 48 LEU CD2 C 13 22.502 0.012 . 2 . . . A 71 LEU CD2 . 11473 1 526 . 1 1 48 48 LEU N N 15 125.342 0.035 . 1 . . . A 71 LEU N . 11473 1 527 . 1 1 49 49 SER H H 1 8.077 0.012 . 1 . . . A 72 SER H . 11473 1 528 . 1 1 49 49 SER HA H 1 4.288 0.000 . 1 . . . A 72 SER HA . 11473 1 529 . 1 1 49 49 SER HB2 H 1 3.949 0.000 . 2 . . . A 72 SER HB2 . 11473 1 530 . 1 1 49 49 SER HB3 H 1 3.879 0.007 . 2 . . . A 72 SER HB3 . 11473 1 531 . 1 1 49 49 SER C C 13 175.316 0.000 . 1 . . . A 72 SER C . 11473 1 532 . 1 1 49 49 SER CA C 13 62.231 0.036 . 1 . . . A 72 SER CA . 11473 1 533 . 1 1 49 49 SER CB C 13 63.244 0.044 . 1 . . . A 72 SER CB . 11473 1 534 . 1 1 49 49 SER N N 15 116.687 0.024 . 1 . . . A 72 SER N . 11473 1 535 . 1 1 50 50 LYS H H 1 8.804 0.003 . 1 . . . A 73 LYS H . 11473 1 536 . 1 1 50 50 LYS HA H 1 4.463 0.003 . 1 . . . A 73 LYS HA . 11473 1 537 . 1 1 50 50 LYS HB2 H 1 2.069 0.003 . 2 . . . A 73 LYS HB2 . 11473 1 538 . 1 1 50 50 LYS HB3 H 1 1.661 0.001 . 2 . . . A 73 LYS HB3 . 11473 1 539 . 1 1 50 50 LYS HG2 H 1 1.377 0.002 . 2 . . . A 73 LYS HG2 . 11473 1 540 . 1 1 50 50 LYS HG3 H 1 1.296 0.002 . 2 . . . A 73 LYS HG3 . 11473 1 541 . 1 1 50 50 LYS HD2 H 1 1.680 0.001 . 2 . . . A 73 LYS HD2 . 11473 1 542 . 1 1 50 50 LYS HD3 H 1 1.612 0.000 . 2 . . . A 73 LYS HD3 . 11473 1 543 . 1 1 50 50 LYS HE2 H 1 2.957 0.004 . 2 . . . A 73 LYS HE2 . 11473 1 544 . 1 1 50 50 LYS HE3 H 1 2.957 0.004 . 2 . . . A 73 LYS HE3 . 11473 1 545 . 1 1 50 50 LYS C C 13 176.036 0.000 . 1 . . . A 73 LYS C . 11473 1 546 . 1 1 50 50 LYS CA C 13 54.703 0.060 . 1 . . . A 73 LYS CA . 11473 1 547 . 1 1 50 50 LYS CB C 13 31.587 0.042 . 1 . . . A 73 LYS CB . 11473 1 548 . 1 1 50 50 LYS CG C 13 24.776 0.033 . 1 . . . A 73 LYS CG . 11473 1 549 . 1 1 50 50 LYS CD C 13 28.748 0.023 . 1 . . . A 73 LYS CD . 11473 1 550 . 1 1 50 50 LYS CE C 13 42.195 0.061 . 1 . . . A 73 LYS CE . 11473 1 551 . 1 1 50 50 LYS N N 15 118.100 0.037 . 1 . . . A 73 LYS N . 11473 1 552 . 1 1 51 51 ALA H H 1 7.289 0.004 . 1 . . . A 74 ALA H . 11473 1 553 . 1 1 51 51 ALA HA H 1 4.563 0.003 . 1 . . . A 74 ALA HA . 11473 1 554 . 1 1 51 51 ALA HB1 H 1 1.122 0.002 . 1 . . . A 74 ALA HB1 . 11473 1 555 . 1 1 51 51 ALA HB2 H 1 1.122 0.002 . 1 . . . A 74 ALA HB2 . 11473 1 556 . 1 1 51 51 ALA HB3 H 1 1.122 0.002 . 1 . . . A 74 ALA HB3 . 11473 1 557 . 1 1 51 51 ALA C C 13 176.870 0.000 . 1 . . . A 74 ALA C . 11473 1 558 . 1 1 51 51 ALA CA C 13 52.134 0.046 . 1 . . . A 74 ALA CA . 11473 1 559 . 1 1 51 51 ALA CB C 13 20.241 0.045 . 1 . . . A 74 ALA CB . 11473 1 560 . 1 1 51 51 ALA N N 15 122.400 0.037 . 1 . . . A 74 ALA N . 11473 1 561 . 1 1 52 52 VAL H H 1 8.771 0.004 . 1 . . . A 75 VAL H . 11473 1 562 . 1 1 52 52 VAL HA H 1 4.226 0.004 . 1 . . . A 75 VAL HA . 11473 1 563 . 1 1 52 52 VAL HB H 1 1.964 0.004 . 1 . . . A 75 VAL HB . 11473 1 564 . 1 1 52 52 VAL HG11 H 1 0.931 0.003 . 2 . . . A 75 VAL HG11 . 11473 1 565 . 1 1 52 52 VAL HG12 H 1 0.931 0.003 . 2 . . . A 75 VAL HG12 . 11473 1 566 . 1 1 52 52 VAL HG13 H 1 0.931 0.003 . 2 . . . A 75 VAL HG13 . 11473 1 567 . 1 1 52 52 VAL HG21 H 1 0.848 0.004 . 2 . . . A 75 VAL HG21 . 11473 1 568 . 1 1 52 52 VAL HG22 H 1 0.848 0.004 . 2 . . . A 75 VAL HG22 . 11473 1 569 . 1 1 52 52 VAL HG23 H 1 0.848 0.004 . 2 . . . A 75 VAL HG23 . 11473 1 570 . 1 1 52 52 VAL C C 13 175.428 0.000 . 1 . . . A 75 VAL C . 11473 1 571 . 1 1 52 52 VAL CA C 13 61.938 0.158 . 1 . . . A 75 VAL CA . 11473 1 572 . 1 1 52 52 VAL CB C 13 34.063 0.152 . 1 . . . A 75 VAL CB . 11473 1 573 . 1 1 52 52 VAL CG1 C 13 21.060 0.019 . 2 . . . A 75 VAL CG1 . 11473 1 574 . 1 1 52 52 VAL CG2 C 13 21.060 0.019 . 2 . . . A 75 VAL CG2 . 11473 1 575 . 1 1 52 52 VAL N N 15 122.000 0.036 . 1 . . . A 75 VAL N . 11473 1 576 . 1 1 53 53 ILE H H 1 9.140 0.002 . 1 . . . A 76 ILE H . 11473 1 577 . 1 1 53 53 ILE HA H 1 4.949 0.001 . 1 . . . A 76 ILE HA . 11473 1 578 . 1 1 53 53 ILE HB H 1 1.960 0.003 . 1 . . . A 76 ILE HB . 11473 1 579 . 1 1 53 53 ILE HG12 H 1 1.505 0.001 . 2 . . . A 76 ILE HG12 . 11473 1 580 . 1 1 53 53 ILE HG13 H 1 1.128 0.001 . 2 . . . A 76 ILE HG13 . 11473 1 581 . 1 1 53 53 ILE HG21 H 1 0.894 0.001 . 1 . . . A 76 ILE HG21 . 11473 1 582 . 1 1 53 53 ILE HG22 H 1 0.894 0.001 . 1 . . . A 76 ILE HG22 . 11473 1 583 . 1 1 53 53 ILE HG23 H 1 0.894 0.001 . 1 . . . A 76 ILE HG23 . 11473 1 584 . 1 1 53 53 ILE HD11 H 1 0.884 0.000 . 1 . . . A 76 ILE HD11 . 11473 1 585 . 1 1 53 53 ILE HD12 H 1 0.884 0.000 . 1 . . . A 76 ILE HD12 . 11473 1 586 . 1 1 53 53 ILE HD13 H 1 0.884 0.000 . 1 . . . A 76 ILE HD13 . 11473 1 587 . 1 1 53 53 ILE C C 13 175.829 0.000 . 1 . . . A 76 ILE C . 11473 1 588 . 1 1 53 53 ILE CA C 13 60.537 0.091 . 1 . . . A 76 ILE CA . 11473 1 589 . 1 1 53 53 ILE CB C 13 38.738 0.120 . 1 . . . A 76 ILE CB . 11473 1 590 . 1 1 53 53 ILE CG1 C 13 29.485 0.012 . 1 . . . A 76 ILE CG1 . 11473 1 591 . 1 1 53 53 ILE CG2 C 13 19.302 0.023 . 1 . . . A 76 ILE CG2 . 11473 1 592 . 1 1 53 53 ILE CD1 C 13 15.245 0.020 . 1 . . . A 76 ILE CD1 . 11473 1 593 . 1 1 53 53 ILE N N 15 130.218 0.039 . 1 . . . A 76 ILE N . 11473 1 594 . 1 1 54 54 THR H H 1 9.392 0.002 . 1 . . . A 77 THR H . 11473 1 595 . 1 1 54 54 THR HA H 1 4.928 0.002 . 1 . . . A 77 THR HA . 11473 1 596 . 1 1 54 54 THR HB H 1 4.000 0.005 . 1 . . . A 77 THR HB . 11473 1 597 . 1 1 54 54 THR HG21 H 1 1.129 0.000 . 1 . . . A 77 THR HG21 . 11473 1 598 . 1 1 54 54 THR HG22 H 1 1.129 0.000 . 1 . . . A 77 THR HG22 . 11473 1 599 . 1 1 54 54 THR HG23 H 1 1.129 0.000 . 1 . . . A 77 THR HG23 . 11473 1 600 . 1 1 54 54 THR CA C 13 58.916 0.037 . 1 . . . A 77 THR CA . 11473 1 601 . 1 1 54 54 THR CB C 13 70.705 0.032 . 1 . . . A 77 THR CB . 11473 1 602 . 1 1 54 54 THR CG2 C 13 21.599 0.033 . 1 . . . A 77 THR CG2 . 11473 1 603 . 1 1 54 54 THR N N 15 124.020 0.052 . 1 . . . A 77 THR N . 11473 1 604 . 1 1 55 55 PRO C C 13 174.814 0.000 . 1 . . . A 78 PRO C . 11473 1 605 . 1 1 55 55 PRO CA C 13 62.358 0.000 . 1 . . . A 78 PRO CA . 11473 1 606 . 1 1 55 55 PRO CB C 13 31.103 0.000 . 1 . . . A 78 PRO CB . 11473 1 607 . 1 1 56 56 HIS H H 1 8.112 0.005 . 1 . . . A 79 HIS H . 11473 1 608 . 1 1 56 56 HIS HA H 1 4.191 0.000 . 1 . . . A 79 HIS HA . 11473 1 609 . 1 1 56 56 HIS HB2 H 1 3.693 0.000 . 2 . . . A 79 HIS HB2 . 11473 1 610 . 1 1 56 56 HIS HB3 H 1 2.758 0.004 . 2 . . . A 79 HIS HB3 . 11473 1 611 . 1 1 56 56 HIS HD2 H 1 7.772 0.014 . 1 . . . A 79 HIS HD2 . 11473 1 612 . 1 1 56 56 HIS C C 13 176.471 0.000 . 1 . . . A 79 HIS C . 11473 1 613 . 1 1 56 56 HIS CA C 13 59.465 0.126 . 1 . . . A 79 HIS CA . 11473 1 614 . 1 1 56 56 HIS CB C 13 31.898 0.037 . 1 . . . A 79 HIS CB . 11473 1 615 . 1 1 56 56 HIS N N 15 127.166 0.074 . 1 . . . A 79 HIS N . 11473 1 616 . 1 1 57 57 ASP H H 1 8.232 0.005 . 1 . . . A 80 ASP H . 11473 1 617 . 1 1 57 57 ASP HA H 1 4.230 0.006 . 1 . . . A 80 ASP HA . 11473 1 618 . 1 1 57 57 ASP HB2 H 1 2.151 0.003 . 2 . . . A 80 ASP HB2 . 11473 1 619 . 1 1 57 57 ASP HB3 H 1 2.048 0.004 . 2 . . . A 80 ASP HB3 . 11473 1 620 . 1 1 57 57 ASP C C 13 175.867 0.000 . 1 . . . A 80 ASP C . 11473 1 621 . 1 1 57 57 ASP CA C 13 56.392 0.074 . 1 . . . A 80 ASP CA . 11473 1 622 . 1 1 57 57 ASP CB C 13 41.059 0.092 . 1 . . . A 80 ASP CB . 11473 1 623 . 1 1 57 57 ASP N N 15 123.024 0.051 . 1 . . . A 80 ASP N . 11473 1 624 . 1 1 58 58 PHE H H 1 8.744 0.003 . 1 . . . A 81 PHE H . 11473 1 625 . 1 1 58 58 PHE HA H 1 4.785 0.014 . 1 . . . A 81 PHE HA . 11473 1 626 . 1 1 58 58 PHE HB2 H 1 3.238 0.003 . 2 . . . A 81 PHE HB2 . 11473 1 627 . 1 1 58 58 PHE HB3 H 1 3.023 0.002 . 2 . . . A 81 PHE HB3 . 11473 1 628 . 1 1 58 58 PHE HD1 H 1 7.230 0.000 . 3 . . . A 81 PHE HD1 . 11473 1 629 . 1 1 58 58 PHE HD2 H 1 7.241 0.000 . 3 . . . A 81 PHE HD2 . 11473 1 630 . 1 1 58 58 PHE HE1 H 1 7.179 0.000 . 3 . . . A 81 PHE HE1 . 11473 1 631 . 1 1 58 58 PHE HE2 H 1 7.179 0.000 . 3 . . . A 81 PHE HE2 . 11473 1 632 . 1 1 58 58 PHE C C 13 175.269 0.000 . 1 . . . A 81 PHE C . 11473 1 633 . 1 1 58 58 PHE CA C 13 58.800 0.045 . 1 . . . A 81 PHE CA . 11473 1 634 . 1 1 58 58 PHE CB C 13 41.595 0.047 . 1 . . . A 81 PHE CB . 11473 1 635 . 1 1 58 58 PHE N N 15 118.599 0.048 . 1 . . . A 81 PHE N . 11473 1 636 . 1 1 59 59 ASP H H 1 9.782 0.007 . 1 . . . A 82 ASP H . 11473 1 637 . 1 1 59 59 ASP HA H 1 4.572 0.000 . 1 . . . A 82 ASP HA . 11473 1 638 . 1 1 59 59 ASP HB2 H 1 2.456 0.006 . 2 . . . A 82 ASP HB2 . 11473 1 639 . 1 1 59 59 ASP HB3 H 1 2.274 0.009 . 2 . . . A 82 ASP HB3 . 11473 1 640 . 1 1 59 59 ASP C C 13 176.739 0.000 . 1 . . . A 82 ASP C . 11473 1 641 . 1 1 59 59 ASP CA C 13 52.866 0.081 . 1 . . . A 82 ASP CA . 11473 1 642 . 1 1 59 59 ASP CB C 13 39.892 0.075 . 1 . . . A 82 ASP CB . 11473 1 643 . 1 1 59 59 ASP N N 15 124.081 0.032 . 1 . . . A 82 ASP N . 11473 1 644 . 1 1 60 60 GLU H H 1 8.394 0.010 . 1 . . . A 83 GLU H . 11473 1 645 . 1 1 60 60 GLU HA H 1 4.162 0.004 . 1 . . . A 83 GLU HA . 11473 1 646 . 1 1 60 60 GLU HB2 H 1 2.193 0.021 . 2 . . . A 83 GLU HB2 . 11473 1 647 . 1 1 60 60 GLU HB3 H 1 1.987 0.000 . 2 . . . A 83 GLU HB3 . 11473 1 648 . 1 1 60 60 GLU HG2 H 1 2.312 0.004 . 2 . . . A 83 GLU HG2 . 11473 1 649 . 1 1 60 60 GLU HG3 H 1 2.312 0.004 . 2 . . . A 83 GLU HG3 . 11473 1 650 . 1 1 60 60 GLU C C 13 174.570 0.000 . 1 . . . A 83 GLU C . 11473 1 651 . 1 1 60 60 GLU CA C 13 58.289 0.027 . 1 . . . A 83 GLU CA . 11473 1 652 . 1 1 60 60 GLU CB C 13 29.343 0.031 . 1 . . . A 83 GLU CB . 11473 1 653 . 1 1 60 60 GLU CG C 13 36.951 0.182 . 1 . . . A 83 GLU CG . 11473 1 654 . 1 1 60 60 GLU N N 15 123.116 0.102 . 1 . . . A 83 GLU N . 11473 1 655 . 1 1 61 61 CYS H H 1 7.508 0.006 . 1 . . . A 84 CYS H . 11473 1 656 . 1 1 61 61 CYS HA H 1 4.201 0.001 . 1 . . . A 84 CYS HA . 11473 1 657 . 1 1 61 61 CYS HB2 H 1 3.239 0.001 . 2 . . . A 84 CYS HB2 . 11473 1 658 . 1 1 61 61 CYS HB3 H 1 2.550 0.002 . 2 . . . A 84 CYS HB3 . 11473 1 659 . 1 1 61 61 CYS C C 13 175.670 0.000 . 1 . . . A 84 CYS C . 11473 1 660 . 1 1 61 61 CYS CA C 13 59.891 0.042 . 1 . . . A 84 CYS CA . 11473 1 661 . 1 1 61 61 CYS CB C 13 28.608 0.053 . 1 . . . A 84 CYS CB . 11473 1 662 . 1 1 61 61 CYS N N 15 110.802 0.053 . 1 . . . A 84 CYS N . 11473 1 663 . 1 1 62 62 ARG H H 1 7.787 0.006 . 1 . . . A 85 ARG H . 11473 1 664 . 1 1 62 62 ARG HA H 1 5.434 0.003 . 1 . . . A 85 ARG HA . 11473 1 665 . 1 1 62 62 ARG HB2 H 1 1.821 0.002 . 2 . . . A 85 ARG HB2 . 11473 1 666 . 1 1 62 62 ARG HB3 H 1 1.486 0.001 . 2 . . . A 85 ARG HB3 . 11473 1 667 . 1 1 62 62 ARG HG2 H 1 1.961 0.000 . 2 . . . A 85 ARG HG2 . 11473 1 668 . 1 1 62 62 ARG HG3 H 1 1.243 0.004 . 2 . . . A 85 ARG HG3 . 11473 1 669 . 1 1 62 62 ARG HD2 H 1 3.032 0.005 . 2 . . . A 85 ARG HD2 . 11473 1 670 . 1 1 62 62 ARG C C 13 176.161 0.000 . 1 . . . A 85 ARG C . 11473 1 671 . 1 1 62 62 ARG CA C 13 54.881 0.057 . 1 . . . A 85 ARG CA . 11473 1 672 . 1 1 62 62 ARG CB C 13 32.228 0.049 . 1 . . . A 85 ARG CB . 11473 1 673 . 1 1 62 62 ARG CG C 13 27.174 0.004 . 1 . . . A 85 ARG CG . 11473 1 674 . 1 1 62 62 ARG CD C 13 44.779 0.103 . 1 . . . A 85 ARG CD . 11473 1 675 . 1 1 62 62 ARG N N 15 122.806 0.028 . 1 . . . A 85 ARG N . 11473 1 676 . 1 1 63 63 PHE H H 1 9.705 0.010 . 1 . . . A 86 PHE H . 11473 1 677 . 1 1 63 63 PHE HA H 1 5.082 0.005 . 1 . . . A 86 PHE HA . 11473 1 678 . 1 1 63 63 PHE HB2 H 1 2.930 0.000 . 2 . . . A 86 PHE HB2 . 11473 1 679 . 1 1 63 63 PHE HB3 H 1 2.496 0.004 . 2 . . . A 86 PHE HB3 . 11473 1 680 . 1 1 63 63 PHE HD1 H 1 6.926 0.000 . 3 . . . A 86 PHE HD1 . 11473 1 681 . 1 1 63 63 PHE HD2 H 1 6.926 0.000 . 3 . . . A 86 PHE HD2 . 11473 1 682 . 1 1 63 63 PHE HE1 H 1 6.709 0.000 . 3 . . . A 86 PHE HE1 . 11473 1 683 . 1 1 63 63 PHE HE2 H 1 6.709 0.000 . 3 . . . A 86 PHE HE2 . 11473 1 684 . 1 1 63 63 PHE HZ H 1 6.722 0.000 . 1 . . . A 86 PHE HZ . 11473 1 685 . 1 1 63 63 PHE C C 13 169.475 0.000 . 1 . . . A 86 PHE C . 11473 1 686 . 1 1 63 63 PHE CA C 13 56.088 0.039 . 1 . . . A 86 PHE CA . 11473 1 687 . 1 1 63 63 PHE CB C 13 41.681 0.096 . 1 . . . A 86 PHE CB . 11473 1 688 . 1 1 63 63 PHE N N 15 126.793 0.049 . 1 . . . A 86 PHE N . 11473 1 689 . 1 1 64 64 ASP H H 1 8.097 0.004 . 1 . . . A 87 ASP H . 11473 1 690 . 1 1 64 64 ASP HB2 H 1 2.518 0.007 . 2 . . . A 87 ASP HB2 . 11473 1 691 . 1 1 64 64 ASP HB3 H 1 2.489 0.002 . 2 . . . A 87 ASP HB3 . 11473 1 692 . 1 1 64 64 ASP C C 13 176.044 0.000 . 1 . . . A 87 ASP C . 11473 1 693 . 1 1 64 64 ASP CA C 13 51.465 0.027 . 1 . . . A 87 ASP CA . 11473 1 694 . 1 1 64 64 ASP CB C 13 42.735 0.102 . 1 . . . A 87 ASP CB . 11473 1 695 . 1 1 64 64 ASP N N 15 120.916 0.150 . 1 . . . A 87 ASP N . 11473 1 696 . 1 1 65 65 ILE H H 1 9.023 0.005 . 1 . . . A 88 ILE H . 11473 1 697 . 1 1 65 65 ILE HA H 1 5.072 0.001 . 1 . . . A 88 ILE HA . 11473 1 698 . 1 1 65 65 ILE HB H 1 1.477 0.005 . 1 . . . A 88 ILE HB . 11473 1 699 . 1 1 65 65 ILE HG12 H 1 1.483 0.001 . 2 . . . A 88 ILE HG12 . 11473 1 700 . 1 1 65 65 ILE HG13 H 1 0.958 0.004 . 2 . . . A 88 ILE HG13 . 11473 1 701 . 1 1 65 65 ILE HG21 H 1 0.550 0.003 . 1 . . . A 88 ILE HG21 . 11473 1 702 . 1 1 65 65 ILE HG22 H 1 0.550 0.003 . 1 . . . A 88 ILE HG22 . 11473 1 703 . 1 1 65 65 ILE HG23 H 1 0.550 0.003 . 1 . . . A 88 ILE HG23 . 11473 1 704 . 1 1 65 65 ILE HD11 H 1 0.719 0.001 . 1 . . . A 88 ILE HD11 . 11473 1 705 . 1 1 65 65 ILE HD12 H 1 0.719 0.001 . 1 . . . A 88 ILE HD12 . 11473 1 706 . 1 1 65 65 ILE HD13 H 1 0.719 0.001 . 1 . . . A 88 ILE HD13 . 11473 1 707 . 1 1 65 65 ILE C C 13 173.799 0.000 . 1 . . . A 88 ILE C . 11473 1 708 . 1 1 65 65 ILE CA C 13 59.558 0.057 . 1 . . . A 88 ILE CA . 11473 1 709 . 1 1 65 65 ILE CB C 13 40.859 0.040 . 1 . . . A 88 ILE CB . 11473 1 710 . 1 1 65 65 ILE CG1 C 13 27.260 0.027 . 1 . . . A 88 ILE CG1 . 11473 1 711 . 1 1 65 65 ILE CG2 C 13 17.270 0.020 . 1 . . . A 88 ILE CG2 . 11473 1 712 . 1 1 65 65 ILE CD1 C 13 15.180 0.011 . 1 . . . A 88 ILE CD1 . 11473 1 713 . 1 1 65 65 ILE N N 15 121.061 0.036 . 1 . . . A 88 ILE N . 11473 1 714 . 1 1 66 66 SER H H 1 8.992 0.002 . 1 . . . A 89 SER H . 11473 1 715 . 1 1 66 66 SER HA H 1 5.340 0.001 . 1 . . . A 89 SER HA . 11473 1 716 . 1 1 66 66 SER HB2 H 1 3.741 0.008 . 2 . . . A 89 SER HB2 . 11473 1 717 . 1 1 66 66 SER HB3 H 1 3.709 0.000 . 2 . . . A 89 SER HB3 . 11473 1 718 . 1 1 66 66 SER C C 13 173.779 0.000 . 1 . . . A 89 SER C . 11473 1 719 . 1 1 66 66 SER CA C 13 56.227 0.113 . 1 . . . A 89 SER CA . 11473 1 720 . 1 1 66 66 SER CB C 13 65.836 0.012 . 1 . . . A 89 SER CB . 11473 1 721 . 1 1 66 66 SER N N 15 120.946 0.077 . 1 . . . A 89 SER N . 11473 1 722 . 1 1 67 67 VAL H H 1 8.431 0.002 . 1 . . . A 90 VAL H . 11473 1 723 . 1 1 67 67 VAL HA H 1 4.259 0.005 . 1 . . . A 90 VAL HA . 11473 1 724 . 1 1 67 67 VAL HB H 1 1.977 0.000 . 1 . . . A 90 VAL HB . 11473 1 725 . 1 1 67 67 VAL HG11 H 1 0.811 0.009 . 2 . . . A 90 VAL HG11 . 11473 1 726 . 1 1 67 67 VAL HG12 H 1 0.811 0.009 . 2 . . . A 90 VAL HG12 . 11473 1 727 . 1 1 67 67 VAL HG13 H 1 0.811 0.009 . 2 . . . A 90 VAL HG13 . 11473 1 728 . 1 1 67 67 VAL HG21 H 1 0.811 0.009 . 2 . . . A 90 VAL HG21 . 11473 1 729 . 1 1 67 67 VAL HG22 H 1 0.811 0.009 . 2 . . . A 90 VAL HG22 . 11473 1 730 . 1 1 67 67 VAL HG23 H 1 0.811 0.009 . 2 . . . A 90 VAL HG23 . 11473 1 731 . 1 1 67 67 VAL C C 13 174.933 0.000 . 1 . . . A 90 VAL C . 11473 1 732 . 1 1 67 67 VAL CA C 13 61.237 0.051 . 1 . . . A 90 VAL CA . 11473 1 733 . 1 1 67 67 VAL CB C 13 34.008 0.037 . 1 . . . A 90 VAL CB . 11473 1 734 . 1 1 67 67 VAL CG1 C 13 21.004 0.015 . 2 . . . A 90 VAL CG1 . 11473 1 735 . 1 1 67 67 VAL CG2 C 13 21.004 0.015 . 2 . . . A 90 VAL CG2 . 11473 1 736 . 1 1 67 67 VAL N N 15 121.954 0.042 . 1 . . . A 90 VAL N . 11473 1 737 . 1 1 68 68 ASN H H 1 9.010 0.002 . 1 . . . A 91 ASN H . 11473 1 738 . 1 1 68 68 ASN HA H 1 4.228 0.005 . 1 . . . A 91 ASN HA . 11473 1 739 . 1 1 68 68 ASN HB2 H 1 2.964 0.000 . 2 . . . A 91 ASN HB2 . 11473 1 740 . 1 1 68 68 ASN HB3 H 1 2.946 0.009 . 2 . . . A 91 ASN HB3 . 11473 1 741 . 1 1 68 68 ASN HD21 H 1 6.927 0.000 . 2 . . . A 91 ASN HD21 . 11473 1 742 . 1 1 68 68 ASN HD22 H 1 7.694 0.000 . 2 . . . A 91 ASN HD22 . 11473 1 743 . 1 1 68 68 ASN C C 13 174.763 0.000 . 1 . . . A 91 ASN C . 11473 1 744 . 1 1 68 68 ASN CA C 13 55.785 0.040 . 1 . . . A 91 ASN CA . 11473 1 745 . 1 1 68 68 ASN CB C 13 37.378 0.089 . 1 . . . A 91 ASN CB . 11473 1 746 . 1 1 68 68 ASN N N 15 123.810 0.066 . 1 . . . A 91 ASN N . 11473 1 747 . 1 1 68 68 ASN ND2 N 15 113.736 0.000 . 1 . . . A 91 ASN ND2 . 11473 1 748 . 1 1 69 69 ASP H H 1 8.485 0.002 . 1 . . . A 92 ASP H . 11473 1 749 . 1 1 69 69 ASP HA H 1 4.601 0.004 . 1 . . . A 92 ASP HA . 11473 1 750 . 1 1 69 69 ASP HB2 H 1 2.823 0.002 . 2 . . . A 92 ASP HB2 . 11473 1 751 . 1 1 69 69 ASP HB3 H 1 2.758 0.002 . 2 . . . A 92 ASP HB3 . 11473 1 752 . 1 1 69 69 ASP C C 13 175.678 0.000 . 1 . . . A 92 ASP C . 11473 1 753 . 1 1 69 69 ASP CA C 13 54.451 0.041 . 1 . . . A 92 ASP CA . 11473 1 754 . 1 1 69 69 ASP CB C 13 40.537 0.034 . 1 . . . A 92 ASP CB . 11473 1 755 . 1 1 69 69 ASP N N 15 118.496 0.018 . 1 . . . A 92 ASP N . 11473 1 756 . 1 1 70 70 SER H H 1 8.146 0.004 . 1 . . . A 93 SER H . 11473 1 757 . 1 1 70 70 SER HA H 1 4.725 0.000 . 1 . . . A 93 SER HA . 11473 1 758 . 1 1 70 70 SER HB2 H 1 3.812 0.000 . 2 . . . A 93 SER HB2 . 11473 1 759 . 1 1 70 70 SER HB3 H 1 3.711 0.000 . 2 . . . A 93 SER HB3 . 11473 1 760 . 1 1 70 70 SER C C 13 172.525 0.000 . 1 . . . A 93 SER C . 11473 1 761 . 1 1 70 70 SER CA C 13 58.385 0.012 . 1 . . . A 93 SER CA . 11473 1 762 . 1 1 70 70 SER CB C 13 65.162 0.034 . 1 . . . A 93 SER CB . 11473 1 763 . 1 1 70 70 SER N N 15 116.340 0.092 . 1 . . . A 93 SER N . 11473 1 764 . 1 1 71 71 VAL H H 1 8.294 0.002 . 1 . . . A 94 VAL H . 11473 1 765 . 1 1 71 71 VAL HA H 1 4.947 0.002 . 1 . . . A 94 VAL HA . 11473 1 766 . 1 1 71 71 VAL HB H 1 1.772 0.003 . 1 . . . A 94 VAL HB . 11473 1 767 . 1 1 71 71 VAL HG11 H 1 0.745 0.001 . 2 . . . A 94 VAL HG11 . 11473 1 768 . 1 1 71 71 VAL HG12 H 1 0.745 0.001 . 2 . . . A 94 VAL HG12 . 11473 1 769 . 1 1 71 71 VAL HG13 H 1 0.745 0.001 . 2 . . . A 94 VAL HG13 . 11473 1 770 . 1 1 71 71 VAL HG21 H 1 0.506 0.004 . 2 . . . A 94 VAL HG21 . 11473 1 771 . 1 1 71 71 VAL HG22 H 1 0.506 0.004 . 2 . . . A 94 VAL HG22 . 11473 1 772 . 1 1 71 71 VAL HG23 H 1 0.506 0.004 . 2 . . . A 94 VAL HG23 . 11473 1 773 . 1 1 71 71 VAL C C 13 174.503 0.000 . 1 . . . A 94 VAL C . 11473 1 774 . 1 1 71 71 VAL CA C 13 60.579 0.111 . 1 . . . A 94 VAL CA . 11473 1 775 . 1 1 71 71 VAL CB C 13 35.033 0.187 . 1 . . . A 94 VAL CB . 11473 1 776 . 1 1 71 71 VAL CG1 C 13 20.981 0.028 . 2 . . . A 94 VAL CG1 . 11473 1 777 . 1 1 71 71 VAL CG2 C 13 20.476 0.009 . 2 . . . A 94 VAL CG2 . 11473 1 778 . 1 1 71 71 VAL N N 15 123.147 0.059 . 1 . . . A 94 VAL N . 11473 1 779 . 1 1 72 72 TRP H H 1 9.184 0.007 . 1 . . . A 95 TRP H . 11473 1 780 . 1 1 72 72 TRP HA H 1 4.851 0.004 . 1 . . . A 95 TRP HA . 11473 1 781 . 1 1 72 72 TRP HB2 H 1 3.002 0.004 . 2 . . . A 95 TRP HB2 . 11473 1 782 . 1 1 72 72 TRP HB3 H 1 2.570 0.000 . 2 . . . A 95 TRP HB3 . 11473 1 783 . 1 1 72 72 TRP HD1 H 1 6.972 0.000 . 1 . . . A 95 TRP HD1 . 11473 1 784 . 1 1 72 72 TRP HE1 H 1 10.198 0.001 . 1 . . . A 95 TRP HE1 . 11473 1 785 . 1 1 72 72 TRP HE3 H 1 7.014 0.008 . 1 . . . A 95 TRP HE3 . 11473 1 786 . 1 1 72 72 TRP HZ2 H 1 7.248 0.008 . 1 . . . A 95 TRP HZ2 . 11473 1 787 . 1 1 72 72 TRP HZ3 H 1 6.580 0.037 . 1 . . . A 95 TRP HZ3 . 11473 1 788 . 1 1 72 72 TRP HH2 H 1 7.101 0.008 . 1 . . . A 95 TRP HH2 . 11473 1 789 . 1 1 72 72 TRP C C 13 173.925 0.000 . 1 . . . A 95 TRP C . 11473 1 790 . 1 1 72 72 TRP CA C 13 53.702 0.098 . 1 . . . A 95 TRP CA . 11473 1 791 . 1 1 72 72 TRP CB C 13 31.813 0.036 . 1 . . . A 95 TRP CB . 11473 1 792 . 1 1 72 72 TRP CE3 C 13 119.240 0.198 . 1 . . . A 95 TRP CE3 . 11473 1 793 . 1 1 72 72 TRP CZ2 C 13 114.421 0.274 . 1 . . . A 95 TRP CZ2 . 11473 1 794 . 1 1 72 72 TRP CZ3 C 13 120.310 0.234 . 1 . . . A 95 TRP CZ3 . 11473 1 795 . 1 1 72 72 TRP CH2 C 13 125.653 0.000 . 1 . . . A 95 TRP CH2 . 11473 1 796 . 1 1 72 72 TRP N N 15 126.485 0.031 . 1 . . . A 95 TRP N . 11473 1 797 . 1 1 72 72 TRP NE1 N 15 128.812 0.133 . 1 . . . A 95 TRP NE1 . 11473 1 798 . 1 1 73 73 TYR H H 1 8.342 0.005 . 1 . . . A 96 TYR H . 11473 1 799 . 1 1 73 73 TYR HA H 1 5.290 0.017 . 1 . . . A 96 TYR HA . 11473 1 800 . 1 1 73 73 TYR HB2 H 1 2.856 0.003 . 2 . . . A 96 TYR HB2 . 11473 1 801 . 1 1 73 73 TYR HB3 H 1 2.856 0.003 . 2 . . . A 96 TYR HB3 . 11473 1 802 . 1 1 73 73 TYR HD1 H 1 6.931 0.004 . 3 . . . A 96 TYR HD1 . 11473 1 803 . 1 1 73 73 TYR HD2 H 1 6.931 0.004 . 3 . . . A 96 TYR HD2 . 11473 1 804 . 1 1 73 73 TYR HE1 H 1 6.498 0.040 . 3 . . . A 96 TYR HE1 . 11473 1 805 . 1 1 73 73 TYR HE2 H 1 6.498 0.040 . 3 . . . A 96 TYR HE2 . 11473 1 806 . 1 1 73 73 TYR C C 13 174.952 0.000 . 1 . . . A 96 TYR C . 11473 1 807 . 1 1 73 73 TYR CA C 13 55.393 0.125 . 1 . . . A 96 TYR CA . 11473 1 808 . 1 1 73 73 TYR CB C 13 38.867 0.090 . 1 . . . A 96 TYR CB . 11473 1 809 . 1 1 73 73 TYR CD1 C 13 133.135 0.285 . 3 . . . A 96 TYR CD1 . 11473 1 810 . 1 1 73 73 TYR CD2 C 13 133.135 0.285 . 3 . . . A 96 TYR CD2 . 11473 1 811 . 1 1 73 73 TYR CE1 C 13 117.914 0.127 . 3 . . . A 96 TYR CE1 . 11473 1 812 . 1 1 73 73 TYR CE2 C 13 117.914 0.127 . 3 . . . A 96 TYR CE2 . 11473 1 813 . 1 1 73 73 TYR N N 15 122.918 0.022 . 1 . . . A 96 TYR N . 11473 1 814 . 1 1 74 74 LEU H H 1 8.382 0.002 . 1 . . . A 97 LEU H . 11473 1 815 . 1 1 74 74 LEU HA H 1 4.572 0.000 . 1 . . . A 97 LEU HA . 11473 1 816 . 1 1 74 74 LEU HB2 H 1 1.266 0.000 . 2 . . . A 97 LEU HB2 . 11473 1 817 . 1 1 74 74 LEU HB3 H 1 1.266 0.000 . 2 . . . A 97 LEU HB3 . 11473 1 818 . 1 1 74 74 LEU HG H 1 1.876 0.000 . 1 . . . A 97 LEU HG . 11473 1 819 . 1 1 74 74 LEU C C 13 176.172 0.000 . 1 . . . A 97 LEU C . 11473 1 820 . 1 1 74 74 LEU CA C 13 53.085 0.011 . 1 . . . A 97 LEU CA . 11473 1 821 . 1 1 74 74 LEU CB C 13 45.401 0.042 . 1 . . . A 97 LEU CB . 11473 1 822 . 1 1 74 74 LEU N N 15 123.487 0.133 . 1 . . . A 97 LEU N . 11473 1 823 . 1 1 75 75 ARG H H 1 9.332 0.004 . 1 . . . A 98 ARG H . 11473 1 824 . 1 1 75 75 ARG HA H 1 4.858 0.004 . 1 . . . A 98 ARG HA . 11473 1 825 . 1 1 75 75 ARG HB2 H 1 1.382 0.001 . 2 . . . A 98 ARG HB2 . 11473 1 826 . 1 1 75 75 ARG HB3 H 1 1.025 0.003 . 2 . . . A 98 ARG HB3 . 11473 1 827 . 1 1 75 75 ARG HG2 H 1 0.855 0.004 . 2 . . . A 98 ARG HG2 . 11473 1 828 . 1 1 75 75 ARG HG3 H 1 0.765 0.002 . 2 . . . A 98 ARG HG3 . 11473 1 829 . 1 1 75 75 ARG C C 13 175.958 0.000 . 1 . . . A 98 ARG C . 11473 1 830 . 1 1 75 75 ARG CA C 13 55.343 0.084 . 1 . . . A 98 ARG CA . 11473 1 831 . 1 1 75 75 ARG CB C 13 35.014 0.145 . 1 . . . A 98 ARG CB . 11473 1 832 . 1 1 75 75 ARG CG C 13 28.642 0.054 . 1 . . . A 98 ARG CG . 11473 1 833 . 1 1 75 75 ARG CD C 13 42.307 0.037 . 1 . . . A 98 ARG CD . 11473 1 834 . 1 1 75 75 ARG N N 15 117.847 0.044 . 1 . . . A 98 ARG N . 11473 1 835 . 1 1 76 76 ALA H H 1 8.594 0.002 . 1 . . . A 99 ALA H . 11473 1 836 . 1 1 76 76 ALA HA H 1 4.687 0.000 . 1 . . . A 99 ALA HA . 11473 1 837 . 1 1 76 76 ALA HB1 H 1 1.607 0.000 . 1 . . . A 99 ALA HB1 . 11473 1 838 . 1 1 76 76 ALA HB2 H 1 1.607 0.000 . 1 . . . A 99 ALA HB2 . 11473 1 839 . 1 1 76 76 ALA HB3 H 1 1.607 0.000 . 1 . . . A 99 ALA HB3 . 11473 1 840 . 1 1 76 76 ALA CA C 13 49.979 0.024 . 1 . . . A 99 ALA CA . 11473 1 841 . 1 1 76 76 ALA CB C 13 20.711 0.048 . 1 . . . A 99 ALA CB . 11473 1 842 . 1 1 76 76 ALA N N 15 126.122 0.034 . 1 . . . A 99 ALA N . 11473 1 843 . 1 1 77 77 GLN HE21 H 1 6.507 0.000 . 2 . . . A 100 GLN HE21 . 11473 1 844 . 1 1 77 77 GLN HE22 H 1 7.258 0.000 . 2 . . . A 100 GLN HE22 . 11473 1 845 . 1 1 77 77 GLN C C 13 175.435 0.000 . 1 . . . A 100 GLN C . 11473 1 846 . 1 1 77 77 GLN CA C 13 58.719 0.000 . 1 . . . A 100 GLN CA . 11473 1 847 . 1 1 77 77 GLN CB C 13 29.677 0.000 . 1 . . . A 100 GLN CB . 11473 1 848 . 1 1 77 77 GLN NE2 N 15 111.697 0.001 . 1 . . . A 100 GLN NE2 . 11473 1 849 . 1 1 78 78 ASP H H 1 7.822 0.004 . 1 . . . A 101 ASP H . 11473 1 850 . 1 1 78 78 ASP HA H 1 4.813 0.003 . 1 . . . A 101 ASP HA . 11473 1 851 . 1 1 78 78 ASP HB2 H 1 3.085 0.000 . 2 . . . A 101 ASP HB2 . 11473 1 852 . 1 1 78 78 ASP HB3 H 1 3.047 0.008 . 2 . . . A 101 ASP HB3 . 11473 1 853 . 1 1 78 78 ASP CA C 13 53.691 0.114 . 1 . . . A 101 ASP CA . 11473 1 854 . 1 1 78 78 ASP CB C 13 39.391 0.055 . 1 . . . A 101 ASP CB . 11473 1 855 . 1 1 78 78 ASP N N 15 112.619 0.048 . 1 . . . A 101 ASP N . 11473 1 856 . 1 1 81 81 HIS H H 1 9.087 0.000 . 1 . . . A 104 HIS H . 11473 1 857 . 1 1 81 81 HIS HD2 H 1 7.664 0.000 . 1 . . . A 104 HIS HD2 . 11473 1 858 . 1 1 81 81 HIS N N 15 121.133 0.000 . 1 . . . A 104 HIS N . 11473 1 859 . 1 1 82 82 ARG C C 13 176.657 0.000 . 1 . . . A 105 ARG C . 11473 1 860 . 1 1 82 82 ARG CA C 13 60.943 0.000 . 1 . . . A 105 ARG CA . 11473 1 861 . 1 1 82 82 ARG CB C 13 30.227 0.000 . 1 . . . A 105 ARG CB . 11473 1 862 . 1 1 83 83 GLN H H 1 7.853 0.002 . 1 . . . A 106 GLN H . 11473 1 863 . 1 1 83 83 GLN HA H 1 3.642 0.004 . 1 . . . A 106 GLN HA . 11473 1 864 . 1 1 83 83 GLN HB2 H 1 2.261 0.002 . 2 . . . A 106 GLN HB2 . 11473 1 865 . 1 1 83 83 GLN HB3 H 1 2.261 0.002 . 2 . . . A 106 GLN HB3 . 11473 1 866 . 1 1 83 83 GLN HG2 H 1 2.393 0.002 . 2 . . . A 106 GLN HG2 . 11473 1 867 . 1 1 83 83 GLN HG3 H 1 2.393 0.002 . 2 . . . A 106 GLN HG3 . 11473 1 868 . 1 1 83 83 GLN HE21 H 1 6.774 0.000 . 2 . . . A 106 GLN HE21 . 11473 1 869 . 1 1 83 83 GLN HE22 H 1 7.440 0.000 . 2 . . . A 106 GLN HE22 . 11473 1 870 . 1 1 83 83 GLN C C 13 177.312 0.000 . 1 . . . A 106 GLN C . 11473 1 871 . 1 1 83 83 GLN CA C 13 58.296 0.032 . 1 . . . A 106 GLN CA . 11473 1 872 . 1 1 83 83 GLN CB C 13 27.996 0.027 . 1 . . . A 106 GLN CB . 11473 1 873 . 1 1 83 83 GLN CG C 13 33.453 0.017 . 1 . . . A 106 GLN CG . 11473 1 874 . 1 1 83 83 GLN N N 15 119.368 0.000 . 1 . . . A 106 GLN N . 11473 1 875 . 1 1 83 83 GLN NE2 N 15 112.129 0.000 . 1 . . . A 106 GLN NE2 . 11473 1 876 . 1 1 84 84 GLN H H 1 8.022 0.001 . 1 . . . A 107 GLN H . 11473 1 877 . 1 1 84 84 GLN HA H 1 3.984 0.003 . 1 . . . A 107 GLN HA . 11473 1 878 . 1 1 84 84 GLN HB2 H 1 2.089 0.000 . 2 . . . A 107 GLN HB2 . 11473 1 879 . 1 1 84 84 GLN HB3 H 1 1.869 0.001 . 2 . . . A 107 GLN HB3 . 11473 1 880 . 1 1 84 84 GLN HG2 H 1 2.556 0.002 . 2 . . . A 107 GLN HG2 . 11473 1 881 . 1 1 84 84 GLN HG3 H 1 2.285 0.006 . 2 . . . A 107 GLN HG3 . 11473 1 882 . 1 1 84 84 GLN HE21 H 1 6.719 0.000 . 2 . . . A 107 GLN HE21 . 11473 1 883 . 1 1 84 84 GLN HE22 H 1 7.427 0.000 . 2 . . . A 107 GLN HE22 . 11473 1 884 . 1 1 84 84 GLN C C 13 180.241 0.000 . 1 . . . A 107 GLN C . 11473 1 885 . 1 1 84 84 GLN CA C 13 59.037 0.059 . 1 . . . A 107 GLN CA . 11473 1 886 . 1 1 84 84 GLN CB C 13 28.415 0.055 . 1 . . . A 107 GLN CB . 11473 1 887 . 1 1 84 84 GLN CG C 13 33.903 0.018 . 1 . . . A 107 GLN CG . 11473 1 888 . 1 1 84 84 GLN N N 15 116.551 0.041 . 1 . . . A 107 GLN N . 11473 1 889 . 1 1 84 84 GLN NE2 N 15 112.191 0.000 . 1 . . . A 107 GLN NE2 . 11473 1 890 . 1 1 85 85 TRP H H 1 7.770 0.003 . 1 . . . A 108 TRP H . 11473 1 891 . 1 1 85 85 TRP HA H 1 3.839 0.024 . 1 . . . A 108 TRP HA . 11473 1 892 . 1 1 85 85 TRP HB2 H 1 2.987 0.001 . 2 . . . A 108 TRP HB2 . 11473 1 893 . 1 1 85 85 TRP HB3 H 1 2.851 0.002 . 2 . . . A 108 TRP HB3 . 11473 1 894 . 1 1 85 85 TRP HD1 H 1 6.899 0.000 . 1 . . . A 108 TRP HD1 . 11473 1 895 . 1 1 85 85 TRP HE1 H 1 10.604 0.000 . 1 . . . A 108 TRP HE1 . 11473 1 896 . 1 1 85 85 TRP HE3 H 1 7.434 0.004 . 1 . . . A 108 TRP HE3 . 11473 1 897 . 1 1 85 85 TRP HZ3 H 1 6.772 0.006 . 1 . . . A 108 TRP HZ3 . 11473 1 898 . 1 1 85 85 TRP HH2 H 1 6.787 0.005 . 1 . . . A 108 TRP HH2 . 11473 1 899 . 1 1 85 85 TRP C C 13 177.759 0.000 . 1 . . . A 108 TRP C . 11473 1 900 . 1 1 85 85 TRP CA C 13 62.404 0.048 . 1 . . . A 108 TRP CA . 11473 1 901 . 1 1 85 85 TRP CB C 13 29.582 0.030 . 1 . . . A 108 TRP CB . 11473 1 902 . 1 1 85 85 TRP CE3 C 13 118.976 0.144 . 1 . . . A 108 TRP CE3 . 11473 1 903 . 1 1 85 85 TRP CZ2 C 13 115.038 0.000 . 1 . . . A 108 TRP CZ2 . 11473 1 904 . 1 1 85 85 TRP CZ3 C 13 121.626 0.181 . 1 . . . A 108 TRP CZ3 . 11473 1 905 . 1 1 85 85 TRP CH2 C 13 125.407 0.000 . 1 . . . A 108 TRP CH2 . 11473 1 906 . 1 1 85 85 TRP N N 15 119.548 0.035 . 1 . . . A 108 TRP N . 11473 1 907 . 1 1 85 85 TRP NE1 N 15 129.731 0.000 . 1 . . . A 108 TRP NE1 . 11473 1 908 . 1 1 86 86 ILE H H 1 8.221 0.003 . 1 . . . A 109 ILE H . 11473 1 909 . 1 1 86 86 ILE HA H 1 3.220 0.003 . 1 . . . A 109 ILE HA . 11473 1 910 . 1 1 86 86 ILE HB H 1 1.610 0.003 . 1 . . . A 109 ILE HB . 11473 1 911 . 1 1 86 86 ILE HG12 H 1 1.158 0.002 . 2 . . . A 109 ILE HG12 . 11473 1 912 . 1 1 86 86 ILE HG13 H 1 0.332 0.001 . 2 . . . A 109 ILE HG13 . 11473 1 913 . 1 1 86 86 ILE HG21 H 1 0.773 0.008 . 1 . . . A 109 ILE HG21 . 11473 1 914 . 1 1 86 86 ILE HG22 H 1 0.773 0.008 . 1 . . . A 109 ILE HG22 . 11473 1 915 . 1 1 86 86 ILE HG23 H 1 0.773 0.008 . 1 . . . A 109 ILE HG23 . 11473 1 916 . 1 1 86 86 ILE HD11 H 1 0.530 0.000 . 1 . . . A 109 ILE HD11 . 11473 1 917 . 1 1 86 86 ILE HD12 H 1 0.530 0.000 . 1 . . . A 109 ILE HD12 . 11473 1 918 . 1 1 86 86 ILE HD13 H 1 0.530 0.000 . 1 . . . A 109 ILE HD13 . 11473 1 919 . 1 1 86 86 ILE C C 13 177.465 0.000 . 1 . . . A 109 ILE C . 11473 1 920 . 1 1 86 86 ILE CA C 13 66.911 0.041 . 1 . . . A 109 ILE CA . 11473 1 921 . 1 1 86 86 ILE CB C 13 37.819 0.103 . 1 . . . A 109 ILE CB . 11473 1 922 . 1 1 86 86 ILE CG1 C 13 28.656 0.021 . 1 . . . A 109 ILE CG1 . 11473 1 923 . 1 1 86 86 ILE CG2 C 13 16.616 0.006 . 1 . . . A 109 ILE CG2 . 11473 1 924 . 1 1 86 86 ILE CD1 C 13 14.147 0.014 . 1 . . . A 109 ILE CD1 . 11473 1 925 . 1 1 86 86 ILE N N 15 119.385 0.031 . 1 . . . A 109 ILE N . 11473 1 926 . 1 1 87 87 ASP H H 1 8.726 0.002 . 1 . . . A 110 ASP H . 11473 1 927 . 1 1 87 87 ASP HA H 1 4.267 0.000 . 1 . . . A 110 ASP HA . 11473 1 928 . 1 1 87 87 ASP HB2 H 1 2.636 0.008 . 2 . . . A 110 ASP HB2 . 11473 1 929 . 1 1 87 87 ASP HB3 H 1 2.513 0.010 . 2 . . . A 110 ASP HB3 . 11473 1 930 . 1 1 87 87 ASP C C 13 178.711 0.000 . 1 . . . A 110 ASP C . 11473 1 931 . 1 1 87 87 ASP CA C 13 57.152 0.051 . 1 . . . A 110 ASP CA . 11473 1 932 . 1 1 87 87 ASP CB C 13 40.103 0.094 . 1 . . . A 110 ASP CB . 11473 1 933 . 1 1 87 87 ASP N N 15 118.621 0.029 . 1 . . . A 110 ASP N . 11473 1 934 . 1 1 88 88 ALA H H 1 7.531 0.002 . 1 . . . A 111 ALA H . 11473 1 935 . 1 1 88 88 ALA HA H 1 4.026 0.004 . 1 . . . A 111 ALA HA . 11473 1 936 . 1 1 88 88 ALA HB1 H 1 1.197 0.001 . 1 . . . A 111 ALA HB1 . 11473 1 937 . 1 1 88 88 ALA HB2 H 1 1.197 0.001 . 1 . . . A 111 ALA HB2 . 11473 1 938 . 1 1 88 88 ALA HB3 H 1 1.197 0.001 . 1 . . . A 111 ALA HB3 . 11473 1 939 . 1 1 88 88 ALA C C 13 179.864 0.000 . 1 . . . A 111 ALA C . 11473 1 940 . 1 1 88 88 ALA CA C 13 55.156 0.091 . 1 . . . A 111 ALA CA . 11473 1 941 . 1 1 88 88 ALA CB C 13 18.460 0.068 . 1 . . . A 111 ALA CB . 11473 1 942 . 1 1 88 88 ALA N N 15 120.921 0.028 . 1 . . . A 111 ALA N . 11473 1 943 . 1 1 89 89 ILE H H 1 8.360 0.002 . 1 . . . A 112 ILE H . 11473 1 944 . 1 1 89 89 ILE HA H 1 3.522 0.008 . 1 . . . A 112 ILE HA . 11473 1 945 . 1 1 89 89 ILE HB H 1 1.953 0.001 . 1 . . . A 112 ILE HB . 11473 1 946 . 1 1 89 89 ILE HG12 H 1 2.265 0.002 . 2 . . . A 112 ILE HG12 . 11473 1 947 . 1 1 89 89 ILE HG13 H 1 1.002 0.003 . 2 . . . A 112 ILE HG13 . 11473 1 948 . 1 1 89 89 ILE HG21 H 1 0.904 0.001 . 1 . . . A 112 ILE HG21 . 11473 1 949 . 1 1 89 89 ILE HG22 H 1 0.904 0.001 . 1 . . . A 112 ILE HG22 . 11473 1 950 . 1 1 89 89 ILE HG23 H 1 0.904 0.001 . 1 . . . A 112 ILE HG23 . 11473 1 951 . 1 1 89 89 ILE HD11 H 1 1.016 0.003 . 1 . . . A 112 ILE HD11 . 11473 1 952 . 1 1 89 89 ILE HD12 H 1 1.016 0.003 . 1 . . . A 112 ILE HD12 . 11473 1 953 . 1 1 89 89 ILE HD13 H 1 1.016 0.003 . 1 . . . A 112 ILE HD13 . 11473 1 954 . 1 1 89 89 ILE C C 13 177.990 0.000 . 1 . . . A 112 ILE C . 11473 1 955 . 1 1 89 89 ILE CA C 13 66.225 0.096 . 1 . . . A 112 ILE CA . 11473 1 956 . 1 1 89 89 ILE CB C 13 38.297 0.058 . 1 . . . A 112 ILE CB . 11473 1 957 . 1 1 89 89 ILE CG1 C 13 30.758 0.027 . 1 . . . A 112 ILE CG1 . 11473 1 958 . 1 1 89 89 ILE CG2 C 13 18.592 0.014 . 1 . . . A 112 ILE CG2 . 11473 1 959 . 1 1 89 89 ILE CD1 C 13 15.013 0.097 . 1 . . . A 112 ILE CD1 . 11473 1 960 . 1 1 89 89 ILE N N 15 118.786 0.088 . 1 . . . A 112 ILE N . 11473 1 961 . 1 1 90 90 GLU H H 1 8.611 0.003 . 1 . . . A 113 GLU H . 11473 1 962 . 1 1 90 90 GLU HA H 1 4.020 0.000 . 1 . . . A 113 GLU HA . 11473 1 963 . 1 1 90 90 GLU HB2 H 1 2.130 0.000 . 2 . . . A 113 GLU HB2 . 11473 1 964 . 1 1 90 90 GLU HB3 H 1 2.030 0.008 . 2 . . . A 113 GLU HB3 . 11473 1 965 . 1 1 90 90 GLU HG2 H 1 2.423 0.003 . 2 . . . A 113 GLU HG2 . 11473 1 966 . 1 1 90 90 GLU HG3 H 1 2.245 0.000 . 2 . . . A 113 GLU HG3 . 11473 1 967 . 1 1 90 90 GLU C C 13 179.201 0.000 . 1 . . . A 113 GLU C . 11473 1 968 . 1 1 90 90 GLU CA C 13 59.505 0.061 . 1 . . . A 113 GLU CA . 11473 1 969 . 1 1 90 90 GLU CB C 13 29.418 0.027 . 1 . . . A 113 GLU CB . 11473 1 970 . 1 1 90 90 GLU CG C 13 36.601 0.126 . 1 . . . A 113 GLU CG . 11473 1 971 . 1 1 90 90 GLU N N 15 118.150 0.036 . 1 . . . A 113 GLU N . 11473 1 972 . 1 1 91 91 GLN H H 1 7.888 0.003 . 1 . . . A 114 GLN H . 11473 1 973 . 1 1 91 91 GLN HA H 1 4.099 0.000 . 1 . . . A 114 GLN HA . 11473 1 974 . 1 1 91 91 GLN HB2 H 1 2.106 0.002 . 2 . . . A 114 GLN HB2 . 11473 1 975 . 1 1 91 91 GLN HB3 H 1 2.106 0.002 . 2 . . . A 114 GLN HB3 . 11473 1 976 . 1 1 91 91 GLN HG2 H 1 2.527 0.002 . 2 . . . A 114 GLN HG2 . 11473 1 977 . 1 1 91 91 GLN HG3 H 1 2.394 0.000 . 2 . . . A 114 GLN HG3 . 11473 1 978 . 1 1 91 91 GLN HE21 H 1 6.856 0.000 . 2 . . . A 114 GLN HE21 . 11473 1 979 . 1 1 91 91 GLN HE22 H 1 7.986 0.000 . 2 . . . A 114 GLN HE22 . 11473 1 980 . 1 1 91 91 GLN C C 13 177.187 0.000 . 1 . . . A 114 GLN C . 11473 1 981 . 1 1 91 91 GLN CA C 13 57.646 0.062 . 1 . . . A 114 GLN CA . 11473 1 982 . 1 1 91 91 GLN CB C 13 28.593 0.074 . 1 . . . A 114 GLN CB . 11473 1 983 . 1 1 91 91 GLN CG C 13 34.102 0.024 . 1 . . . A 114 GLN CG . 11473 1 984 . 1 1 91 91 GLN N N 15 116.497 0.058 . 1 . . . A 114 GLN N . 11473 1 985 . 1 1 91 91 GLN NE2 N 15 116.588 0.002 . 1 . . . A 114 GLN NE2 . 11473 1 986 . 1 1 92 92 HIS H H 1 7.975 0.000 . 1 . . . A 115 HIS H . 11473 1 987 . 1 1 92 92 HIS HA H 1 4.317 0.001 . 1 . . . A 115 HIS HA . 11473 1 988 . 1 1 92 92 HIS HB2 H 1 3.300 0.000 . 2 . . . A 115 HIS HB2 . 11473 1 989 . 1 1 92 92 HIS HB3 H 1 3.121 0.000 . 2 . . . A 115 HIS HB3 . 11473 1 990 . 1 1 92 92 HIS HD2 H 1 7.767 0.007 . 1 . . . A 115 HIS HD2 . 11473 1 991 . 1 1 92 92 HIS C C 13 175.026 0.000 . 1 . . . A 115 HIS C . 11473 1 992 . 1 1 92 92 HIS CA C 13 57.908 0.065 . 1 . . . A 115 HIS CA . 11473 1 993 . 1 1 92 92 HIS CB C 13 30.939 0.028 . 1 . . . A 115 HIS CB . 11473 1 994 . 1 1 92 92 HIS N N 15 118.144 0.008 . 1 . . . A 115 HIS N . 11473 1 995 . 1 1 93 93 LYS H H 1 7.514 0.002 . 1 . . . A 116 LYS H . 11473 1 996 . 1 1 93 93 LYS HA H 1 4.361 0.004 . 1 . . . A 116 LYS HA . 11473 1 997 . 1 1 93 93 LYS HB2 H 1 1.871 0.003 . 2 . . . A 116 LYS HB2 . 11473 1 998 . 1 1 93 93 LYS HB3 H 1 1.871 0.003 . 2 . . . A 116 LYS HB3 . 11473 1 999 . 1 1 93 93 LYS HG2 H 1 1.543 0.002 . 2 . . . A 116 LYS HG2 . 11473 1 1000 . 1 1 93 93 LYS HG3 H 1 1.543 0.002 . 2 . . . A 116 LYS HG3 . 11473 1 1001 . 1 1 93 93 LYS HD2 H 1 1.695 0.001 . 2 . . . A 116 LYS HD2 . 11473 1 1002 . 1 1 93 93 LYS HD3 H 1 1.695 0.001 . 2 . . . A 116 LYS HD3 . 11473 1 1003 . 1 1 93 93 LYS HE2 H 1 3.091 0.004 . 2 . . . A 116 LYS HE2 . 11473 1 1004 . 1 1 93 93 LYS HE3 H 1 3.003 0.003 . 2 . . . A 116 LYS HE3 . 11473 1 1005 . 1 1 93 93 LYS C C 13 175.933 0.000 . 1 . . . A 116 LYS C . 11473 1 1006 . 1 1 93 93 LYS CA C 13 57.106 0.022 . 1 . . . A 116 LYS CA . 11473 1 1007 . 1 1 93 93 LYS CB C 13 33.568 0.181 . 1 . . . A 116 LYS CB . 11473 1 1008 . 1 1 93 93 LYS CG C 13 24.191 0.019 . 1 . . . A 116 LYS CG . 11473 1 1009 . 1 1 93 93 LYS CD C 13 29.677 0.034 . 1 . . . A 116 LYS CD . 11473 1 1010 . 1 1 93 93 LYS CE C 13 41.890 0.075 . 1 . . . A 116 LYS CE . 11473 1 1011 . 1 1 93 93 LYS N N 15 118.547 0.077 . 1 . . . A 116 LYS N . 11473 1 1012 . 1 1 94 94 THR H H 1 7.902 0.005 . 1 . . . A 117 THR H . 11473 1 1013 . 1 1 94 94 THR HA H 1 4.136 0.000 . 1 . . . A 117 THR HA . 11473 1 1014 . 1 1 94 94 THR HB H 1 4.158 0.000 . 1 . . . A 117 THR HB . 11473 1 1015 . 1 1 94 94 THR HG21 H 1 1.147 0.002 . 1 . . . A 117 THR HG21 . 11473 1 1016 . 1 1 94 94 THR HG22 H 1 1.147 0.002 . 1 . . . A 117 THR HG22 . 11473 1 1017 . 1 1 94 94 THR HG23 H 1 1.147 0.002 . 1 . . . A 117 THR HG23 . 11473 1 1018 . 1 1 94 94 THR CA C 13 63.470 0.167 . 1 . . . A 117 THR CA . 11473 1 1019 . 1 1 94 94 THR CB C 13 70.883 0.189 . 1 . . . A 117 THR CB . 11473 1 1020 . 1 1 94 94 THR CG2 C 13 21.895 0.004 . 1 . . . A 117 THR CG2 . 11473 1 1021 . 1 1 94 94 THR N N 15 120.685 0.017 . 1 . . . A 117 THR N . 11473 1 stop_ save_