data_15098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15098 _Entry.Title ; SOLUTION STRUCTURES OF THE BRK DOMAINS OF THE HUMAN CHROMO HELICASE DOMAIN 7 AND 8, REVEALS STRUCTURAL SIMILARITY WITH GYF DOMAIN SUGGESTING A ROLE IN PROTEIN INTERACTION ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-09 _Entry.Accession_date 2007-01-09 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'BRK DOMAIN OF THE HUMAN CHROMO HELICASE DOMAIN 8' _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 E. AB E. . . 15098 2 R. 'De Jong' R. N. . 15098 3 T. Diercks T. . . 15098 4 J. Xiaoyun J. . . 15098 5 M. Daniels M. . . 15098 6 R. Kaptein R. . . 15098 7 G. Folkers G. E. . 15098 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 SPINE 'Bijvoet Centre, Utrecht' . 15098 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BRK DOMAIN' 'BRK DOMAIN' 15098 'CHROMATIN REMODELING' 'CHROMATIN REMODELING' 15098 'PROTEIN-PROTEIN INTERACTION' 'PROTEIN-PROTEIN INTERACTION' 15098 'TRANSCRIPTION ELONGATION' 'TRANSCRIPTION ELONGATION' 15098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 241 15098 '15N chemical shifts' 53 15098 '1H chemical shifts' 380 15098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2007-01-09 original author . 15098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2cka . 15098 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structures of the Brk Domains of the Human Chromo Helicase Domain 7 and 8, Reveals Structural Similarity with Gyf Domain Suggesting a Role in Protein Interaction' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 . _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 E. AB E. . . 15098 1 2 R. 'De Jong' R. N. . 15098 1 3 T. Diercks T. . . 15098 1 4 J. Xiaoyun J. . . 15098 1 5 M. Daniels M. . . 15098 1 6 R. Kaptein R. . . 15098 1 7 G. Folkers G. E. . 15098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15098 _Assembly.ID 1 _Assembly.Name 'CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 'CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8' 1 $CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 A . yes native no no . . . 15098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 _Entity.Sf_category entity _Entity.Sf_framecode CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 _Entity.Entry_ID 15098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 _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 ; MGSSHHHHHHSSHMLVPRGS LKKLVELEVECMEEPNHLDV DLETRIPVINKVDGTLLVGE DAPRRAELEMWLQGHPEFAV DPRFLAYMEDRRKQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1991 MET 1992 GLY ... ... 2084 GLN 2085 LYS ; _Entity.Polymer_author_seq_details ; 1991-2011 His Tag 2012-2085 BRK DOMANI ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'BRK DOMAIN' _Entity.Mutation . _Entity.EC_number 3.6.1.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2CKA . "Solution Structures Of The Brk Domains Of The Human Chromo Helicase Domain 7 And 8, Reveals Structural Similarity With Gyf Doma" . . . . . 100.00 95 100.00 100.00 5.29e-62 . . . . 15098 1 no PDB 2DL6 . "Solution Structure Of The First Brk Domain From Human Chromodomain-Helicase-Dna-Binding Protein 8" . . . . . 65.26 83 100.00 100.00 1.92e-37 . . . . 15098 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 1991 MET . 15098 1 2 1992 GLY . 15098 1 3 1993 SER . 15098 1 4 1994 SER . 15098 1 5 1995 HIS . 15098 1 6 1996 HIS . 15098 1 7 1997 HIS . 15098 1 8 1998 HIS . 15098 1 9 1999 HIS . 15098 1 10 2000 HIS . 15098 1 11 2001 SER . 15098 1 12 2002 SER . 15098 1 13 2003 HIS . 15098 1 14 2004 MET . 15098 1 15 2005 LEU . 15098 1 16 2006 VAL . 15098 1 17 2007 PRO . 15098 1 18 2008 ARG . 15098 1 19 2009 GLY . 15098 1 20 2010 SER . 15098 1 21 2011 LEU . 15098 1 22 2012 LYS . 15098 1 23 2013 LYS . 15098 1 24 2014 LEU . 15098 1 25 2015 VAL . 15098 1 26 2016 GLU . 15098 1 27 2017 LEU . 15098 1 28 2018 GLU . 15098 1 29 2019 VAL . 15098 1 30 2020 GLU . 15098 1 31 2021 CYS . 15098 1 32 2022 MET . 15098 1 33 2023 GLU . 15098 1 34 2024 GLU . 15098 1 35 2025 PRO . 15098 1 36 2026 ASN . 15098 1 37 2027 HIS . 15098 1 38 2028 LEU . 15098 1 39 2029 ASP . 15098 1 40 2030 VAL . 15098 1 41 2031 ASP . 15098 1 42 2032 LEU . 15098 1 43 2033 GLU . 15098 1 44 2034 THR . 15098 1 45 2035 ARG . 15098 1 46 2036 ILE . 15098 1 47 2037 PRO . 15098 1 48 2038 VAL . 15098 1 49 2039 ILE . 15098 1 50 2040 ASN . 15098 1 51 2041 LYS . 15098 1 52 2042 VAL . 15098 1 53 2043 ASP . 15098 1 54 2044 GLY . 15098 1 55 2045 THR . 15098 1 56 2046 LEU . 15098 1 57 2047 LEU . 15098 1 58 2048 VAL . 15098 1 59 2049 GLY . 15098 1 60 2050 GLU . 15098 1 61 2051 ASP . 15098 1 62 2052 ALA . 15098 1 63 2053 PRO . 15098 1 64 2054 ARG . 15098 1 65 2055 ARG . 15098 1 66 2056 ALA . 15098 1 67 2057 GLU . 15098 1 68 2058 LEU . 15098 1 69 2059 GLU . 15098 1 70 2060 MET . 15098 1 71 2061 TRP . 15098 1 72 2062 LEU . 15098 1 73 2063 GLN . 15098 1 74 2064 GLY . 15098 1 75 2065 HIS . 15098 1 76 2066 PRO . 15098 1 77 2067 GLU . 15098 1 78 2068 PHE . 15098 1 79 2069 ALA . 15098 1 80 2070 VAL . 15098 1 81 2071 ASP . 15098 1 82 2072 PRO . 15098 1 83 2073 ARG . 15098 1 84 2074 PHE . 15098 1 85 2075 LEU . 15098 1 86 2076 ALA . 15098 1 87 2077 TYR . 15098 1 88 2078 MET . 15098 1 89 2079 GLU . 15098 1 90 2080 ASP . 15098 1 91 2081 ARG . 15098 1 92 2082 ARG . 15098 1 93 2083 LYS . 15098 1 94 2084 GLN . 15098 1 95 2085 LYS . 15098 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 . MET 1 1 15098 1 . GLY 2 2 15098 1 . SER 3 3 15098 1 . SER 4 4 15098 1 . HIS 5 5 15098 1 . HIS 6 6 15098 1 . HIS 7 7 15098 1 . HIS 8 8 15098 1 . HIS 9 9 15098 1 . HIS 10 10 15098 1 . SER 11 11 15098 1 . SER 12 12 15098 1 . HIS 13 13 15098 1 . MET 14 14 15098 1 . LEU 15 15 15098 1 . VAL 16 16 15098 1 . PRO 17 17 15098 1 . ARG 18 18 15098 1 . GLY 19 19 15098 1 . SER 20 20 15098 1 . LEU 21 21 15098 1 . LYS 22 22 15098 1 . LYS 23 23 15098 1 . LEU 24 24 15098 1 . VAL 25 25 15098 1 . GLU 26 26 15098 1 . LEU 27 27 15098 1 . GLU 28 28 15098 1 . VAL 29 29 15098 1 . GLU 30 30 15098 1 . CYS 31 31 15098 1 . MET 32 32 15098 1 . GLU 33 33 15098 1 . GLU 34 34 15098 1 . PRO 35 35 15098 1 . ASN 36 36 15098 1 . HIS 37 37 15098 1 . LEU 38 38 15098 1 . ASP 39 39 15098 1 . VAL 40 40 15098 1 . ASP 41 41 15098 1 . LEU 42 42 15098 1 . GLU 43 43 15098 1 . THR 44 44 15098 1 . ARG 45 45 15098 1 . ILE 46 46 15098 1 . PRO 47 47 15098 1 . VAL 48 48 15098 1 . ILE 49 49 15098 1 . ASN 50 50 15098 1 . LYS 51 51 15098 1 . VAL 52 52 15098 1 . ASP 53 53 15098 1 . GLY 54 54 15098 1 . THR 55 55 15098 1 . LEU 56 56 15098 1 . LEU 57 57 15098 1 . VAL 58 58 15098 1 . GLY 59 59 15098 1 . GLU 60 60 15098 1 . ASP 61 61 15098 1 . ALA 62 62 15098 1 . PRO 63 63 15098 1 . ARG 64 64 15098 1 . ARG 65 65 15098 1 . ALA 66 66 15098 1 . GLU 67 67 15098 1 . LEU 68 68 15098 1 . GLU 69 69 15098 1 . MET 70 70 15098 1 . TRP 71 71 15098 1 . LEU 72 72 15098 1 . GLN 73 73 15098 1 . GLY 74 74 15098 1 . HIS 75 75 15098 1 . PRO 76 76 15098 1 . GLU 77 77 15098 1 . PHE 78 78 15098 1 . ALA 79 79 15098 1 . VAL 80 80 15098 1 . ASP 81 81 15098 1 . PRO 82 82 15098 1 . ARG 83 83 15098 1 . PHE 84 84 15098 1 . LEU 85 85 15098 1 . ALA 86 86 15098 1 . TYR 87 87 15098 1 . MET 88 88 15098 1 . GLU 89 89 15098 1 . ASP 90 90 15098 1 . ARG 91 91 15098 1 . ARG 92 92 15098 1 . LYS 93 93 15098 1 . GLN 94 94 15098 1 . LYS 95 95 15098 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 15098 _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 $CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15098 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 15098 _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 $CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 . 'recombinant technology' 'ESCHERICHIA COLI' . . . . . BL21(DE3) ROSETTA . . . . . . . . . . . . . . PHISLIC . . . 'SELF MADE CDNA LIBRARY OF MULTIPLE HUMAN CARCINOMA CELL LINES' . . 15098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8' '[U-13C; U-15N]' . . 1 $CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 . . 0.8 . . mM . . . . 15098 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15098 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15098 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15098 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15098 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 15098 1 pH 7.0 . pH 15098 1 pressure 1.0 . atm 15098 1 temperature 298.0 . K 15098 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS_FOR_WATER_REFINEMENT _Software.Sf_category software _Software.Sf_framecode CNS_FOR_WATER_REFINEMENT _Software.Entry_ID 15098 _Software.ID 1 _Software.Name 'CNS FOR WATER REFINEMENT' _Software.Version REFINEMENT _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN' . . 15098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15098 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15098 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T Goddard' . . 15098 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15098 2 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 15098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_700 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 700 _NMR_spectrometer_list.Entry_ID 15098 _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 DMX . 700 . . . 15098 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 15098 _Experiment_list.ID 1 _Experiment_list.Details 'THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED CHD8 2012-2085' 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 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 2 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 4 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 5 HBHACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 6 HNCAHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 7 CCCONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 8 CCH-COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 9 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 10 HNH-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 11 HCH-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 12 CNH-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 1 13 HH-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15098 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 15098 _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 . indirect 0.251449530 . . . . . . . . . 15098 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15098 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15098 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 15098 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 11 HCH-NOESY . . . 15098 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 15098 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 35 35 PRO HA H 1 4.344 0.020 . 1 . . . . 2025 PRO HA . 15098 1 2 . 1 1 35 35 PRO HB2 H 1 1.779 0.020 . 2 . . . . 2025 PRO HB2 . 15098 1 3 . 1 1 35 35 PRO HB3 H 1 2.170 0.020 . 2 . . . . 2025 PRO HB3 . 15098 1 4 . 1 1 35 35 PRO HG2 H 1 1.913 0.020 . 1 . . . . 2025 PRO HG2 . 15098 1 5 . 1 1 35 35 PRO HG3 H 1 1.913 0.020 . 1 . . . . 2025 PRO HG3 . 15098 1 6 . 1 1 35 35 PRO HD2 H 1 3.708 0.020 . 2 . . . . 2025 PRO HD2 . 15098 1 7 . 1 1 35 35 PRO HD3 H 1 3.604 0.020 . 2 . . . . 2025 PRO HD3 . 15098 1 8 . 1 1 35 35 PRO CA C 13 63.488 0.400 . 1 . . . . 2025 PRO CA . 15098 1 9 . 1 1 35 35 PRO CB C 13 32.013 0.400 . 1 . . . . 2025 PRO CB . 15098 1 10 . 1 1 35 35 PRO CG C 13 27.39 0.400 . 1 . . . . 2025 PRO CG . 15098 1 11 . 1 1 35 35 PRO CD C 13 50.656 0.400 . 1 . . . . 2025 PRO CD . 15098 1 12 . 1 1 36 36 ASN H H 1 8.438 0.020 . 1 . . . . 2026 ASN H . 15098 1 13 . 1 1 36 36 ASN HA H 1 4.607 0.020 . 1 . . . . 2026 ASN HA . 15098 1 14 . 1 1 36 36 ASN HB2 H 1 2.732 0.020 . 1 . . . . 2026 ASN HB2 . 15098 1 15 . 1 1 36 36 ASN HB3 H 1 2.732 0.020 . 1 . . . . 2026 ASN HB3 . 15098 1 16 . 1 1 36 36 ASN HD21 H 1 6.799 0.020 . 2 . . . . 2026 ASN HD21 . 15098 1 17 . 1 1 36 36 ASN HD22 H 1 7.598 0.020 . 2 . . . . 2026 ASN HD22 . 15098 1 18 . 1 1 36 36 ASN CA C 13 53.218 0.400 . 1 . . . . 2026 ASN CA . 15098 1 19 . 1 1 36 36 ASN CB C 13 38.991 0.400 . 1 . . . . 2026 ASN CB . 15098 1 20 . 1 1 36 36 ASN N N 15 118.013 0.400 . 1 . . . . 2026 ASN N . 15098 1 21 . 1 1 36 36 ASN ND2 N 15 112.772 0.400 . 1 . . . . 2026 ASN ND2 . 15098 1 22 . 1 1 38 38 LEU H H 1 8.116 0.020 . 1 . . . . 2028 LEU H . 15098 1 23 . 1 1 38 38 LEU HA H 1 4.219 0.020 . 1 . . . . 2028 LEU HA . 15098 1 24 . 1 1 38 38 LEU HB2 H 1 1.534 0.020 . 1 . . . . 2028 LEU HB2 . 15098 1 25 . 1 1 38 38 LEU HB3 H 1 1.534 0.020 . 1 . . . . 2028 LEU HB3 . 15098 1 26 . 1 1 38 38 LEU HG H 1 1.401 0.020 . 1 . . . . 2028 LEU HG . 15098 1 27 . 1 1 38 38 LEU HD11 H 1 0.793 0.020 . 2 . . . . 2028 LEU HD1 . 15098 1 28 . 1 1 38 38 LEU HD12 H 1 0.793 0.020 . 2 . . . . 2028 LEU HD1 . 15098 1 29 . 1 1 38 38 LEU HD13 H 1 0.793 0.020 . 2 . . . . 2028 LEU HD1 . 15098 1 30 . 1 1 38 38 LEU HD21 H 1 0.841 0.020 . 2 . . . . 2028 LEU HD2 . 15098 1 31 . 1 1 38 38 LEU HD22 H 1 0.841 0.020 . 2 . . . . 2028 LEU HD2 . 15098 1 32 . 1 1 38 38 LEU HD23 H 1 0.841 0.020 . 2 . . . . 2028 LEU HD2 . 15098 1 33 . 1 1 38 38 LEU CA C 13 55.148 0.400 . 1 . . . . 2028 LEU CA . 15098 1 34 . 1 1 38 38 LEU CB C 13 42.275 0.400 . 1 . . . . 2028 LEU CB . 15098 1 35 . 1 1 38 38 LEU CG C 13 27.014 0.400 . 1 . . . . 2028 LEU CG . 15098 1 36 . 1 1 38 38 LEU CD1 C 13 23.718 0.400 . 1 . . . . 2028 LEU CD1 . 15098 1 37 . 1 1 38 38 LEU CD2 C 13 25.218 0.400 . 1 . . . . 2028 LEU CD2 . 15098 1 38 . 1 1 38 38 LEU N N 15 122.842 0.400 . 1 . . . . 2028 LEU N . 15098 1 39 . 1 1 39 39 ASP H H 1 8.212 0.020 . 1 . . . . 2029 ASP H . 15098 1 40 . 1 1 39 39 ASP HA H 1 4.581 0.020 . 1 . . . . 2029 ASP HA . 15098 1 41 . 1 1 39 39 ASP HB2 H 1 2.550 0.020 . 1 . . . . 2029 ASP HB2 . 15098 1 42 . 1 1 39 39 ASP HB3 H 1 2.550 0.020 . 1 . . . . 2029 ASP HB3 . 15098 1 43 . 1 1 39 39 ASP CA C 13 54.355 0.400 . 1 . . . . 2029 ASP CA . 15098 1 44 . 1 1 39 39 ASP CB C 13 40.996 0.400 . 1 . . . . 2029 ASP CB . 15098 1 45 . 1 1 39 39 ASP N N 15 121.564 0.400 . 1 . . . . 2029 ASP N . 15098 1 46 . 1 1 40 40 VAL H H 1 8.139 0.020 . 1 . . . . 2030 VAL H . 15098 1 47 . 1 1 40 40 VAL HA H 1 4.276 0.020 . 1 . . . . 2030 VAL HA . 15098 1 48 . 1 1 40 40 VAL HB H 1 2.201 0.020 . 1 . . . . 2030 VAL HB . 15098 1 49 . 1 1 40 40 VAL HG11 H 1 0.896 0.020 . 2 . . . . 2030 VAL HG1 . 15098 1 50 . 1 1 40 40 VAL HG12 H 1 0.896 0.020 . 2 . . . . 2030 VAL HG1 . 15098 1 51 . 1 1 40 40 VAL HG13 H 1 0.896 0.020 . 2 . . . . 2030 VAL HG1 . 15098 1 52 . 1 1 40 40 VAL HG21 H 1 0.957 0.020 . 2 . . . . 2030 VAL HG2 . 15098 1 53 . 1 1 40 40 VAL HG22 H 1 0.957 0.020 . 2 . . . . 2030 VAL HG2 . 15098 1 54 . 1 1 40 40 VAL HG23 H 1 0.957 0.020 . 2 . . . . 2030 VAL HG2 . 15098 1 55 . 1 1 40 40 VAL CA C 13 60.992 0.400 . 1 . . . . 2030 VAL CA . 15098 1 56 . 1 1 40 40 VAL CB C 13 33.654 0.400 . 1 . . . . 2030 VAL CB . 15098 1 57 . 1 1 40 40 VAL CG1 C 13 19.922 0.400 . 1 . . . . 2030 VAL CG1 . 15098 1 58 . 1 1 40 40 VAL CG2 C 13 21.818 0.400 . 1 . . . . 2030 VAL CG2 . 15098 1 59 . 1 1 40 40 VAL N N 15 117.729 0.400 . 1 . . . . 2030 VAL N . 15098 1 60 . 1 1 41 41 ASP HA H 1 4.508 0.020 . 1 . . . . 2031 ASP HA . 15098 1 61 . 1 1 41 41 ASP C C 13 177.456 0.400 . 1 . . . . 2031 ASP C . 15098 1 62 . 1 1 41 41 ASP CA C 13 54.662 0.400 . 1 . . . . 2031 ASP CA . 15098 1 63 . 1 1 41 41 ASP CB C 13 41.832 0.400 . 1 . . . . 2031 ASP CB . 15098 1 64 . 1 1 42 42 LEU H H 1 8.337 0.020 . 1 . . . . 2032 LEU H . 15098 1 65 . 1 1 42 42 LEU HA H 1 3.915 0.020 . 1 . . . . 2032 LEU HA . 15098 1 66 . 1 1 42 42 LEU HB2 H 1 1.830 0.020 . 2 . . . . 2032 LEU HB2 . 15098 1 67 . 1 1 42 42 LEU HB3 H 1 1.500 0.020 . 2 . . . . 2032 LEU HB3 . 15098 1 68 . 1 1 42 42 LEU HG H 1 1.763 0.020 . 1 . . . . 2032 LEU HG . 15098 1 69 . 1 1 42 42 LEU HD11 H 1 0.933 0.020 . 2 . . . . 2032 LEU HD1 . 15098 1 70 . 1 1 42 42 LEU HD12 H 1 0.933 0.020 . 2 . . . . 2032 LEU HD1 . 15098 1 71 . 1 1 42 42 LEU HD13 H 1 0.933 0.020 . 2 . . . . 2032 LEU HD1 . 15098 1 72 . 1 1 42 42 LEU HD21 H 1 0.829 0.020 . 2 . . . . 2032 LEU HD2 . 15098 1 73 . 1 1 42 42 LEU HD22 H 1 0.829 0.020 . 2 . . . . 2032 LEU HD2 . 15098 1 74 . 1 1 42 42 LEU HD23 H 1 0.829 0.020 . 2 . . . . 2032 LEU HD2 . 15098 1 75 . 1 1 42 42 LEU C C 13 177.105 0.400 . 1 . . . . 2032 LEU C . 15098 1 76 . 1 1 42 42 LEU CA C 13 57.783 0.400 . 1 . . . . 2032 LEU CA . 15098 1 77 . 1 1 42 42 LEU CB C 13 42.168 0.400 . 1 . . . . 2032 LEU CB . 15098 1 78 . 1 1 42 42 LEU CG C 13 27.257 0.400 . 1 . . . . 2032 LEU CG . 15098 1 79 . 1 1 42 42 LEU CD1 C 13 25.262 0.400 . 1 . . . . 2032 LEU CD1 . 15098 1 80 . 1 1 42 42 LEU CD2 C 13 22.912 0.400 . 1 . . . . 2032 LEU CD2 . 15098 1 81 . 1 1 42 42 LEU N N 15 122.726 0.400 . 1 . . . . 2032 LEU N . 15098 1 82 . 1 1 43 43 GLU H H 1 8.300 0.020 . 1 . . . . 2033 GLU H . 15098 1 83 . 1 1 43 43 GLU HA H 1 4.263 0.020 . 1 . . . . 2033 GLU HA . 15098 1 84 . 1 1 43 43 GLU HB2 H 1 2.183 0.020 . 1 . . . . 2033 GLU HB2 . 15098 1 85 . 1 1 43 43 GLU HB3 H 1 2.183 0.020 . 1 . . . . 2033 GLU HB3 . 15098 1 86 . 1 1 43 43 GLU HG2 H 1 2.306 0.020 . 2 . . . . 2033 GLU HG2 . 15098 1 87 . 1 1 43 43 GLU HG3 H 1 2.185 0.020 . 2 . . . . 2033 GLU HG3 . 15098 1 88 . 1 1 43 43 GLU C C 13 176.485 0.400 . 1 . . . . 2033 GLU C . 15098 1 89 . 1 1 43 43 GLU CA C 13 56.009 0.400 . 1 . . . . 2033 GLU CA . 15098 1 90 . 1 1 43 43 GLU CB C 13 29.733 0.400 . 1 . . . . 2033 GLU CB . 15098 1 91 . 1 1 43 43 GLU CG C 13 36.038 0.400 . 1 . . . . 2033 GLU CG . 15098 1 92 . 1 1 43 43 GLU N N 15 114.976 0.400 . 1 . . . . 2033 GLU N . 15098 1 93 . 1 1 44 44 THR H H 1 7.598 0.020 . 1 . . . . 2034 THR H . 15098 1 94 . 1 1 44 44 THR HA H 1 3.837 0.020 . 1 . . . . 2034 THR HA . 15098 1 95 . 1 1 44 44 THR HB H 1 3.951 0.020 . 1 . . . . 2034 THR HB . 15098 1 96 . 1 1 44 44 THR HG21 H 1 1.230 0.020 . 1 . . . . 2034 THR HG2 . 15098 1 97 . 1 1 44 44 THR HG22 H 1 1.230 0.020 . 1 . . . . 2034 THR HG2 . 15098 1 98 . 1 1 44 44 THR HG23 H 1 1.230 0.020 . 1 . . . . 2034 THR HG2 . 15098 1 99 . 1 1 44 44 THR C C 13 173.357 0.400 . 1 . . . . 2034 THR C . 15098 1 100 . 1 1 44 44 THR CA C 13 64.361 0.400 . 1 . . . . 2034 THR CA . 15098 1 101 . 1 1 44 44 THR CB C 13 69.937 0.400 . 1 . . . . 2034 THR CB . 15098 1 102 . 1 1 44 44 THR CG2 C 13 21.793 0.400 . 1 . . . . 2034 THR CG2 . 15098 1 103 . 1 1 44 44 THR N N 15 117.241 0.400 . 1 . . . . 2034 THR N . 15098 1 104 . 1 1 45 45 ARG H H 1 8.444 0.020 . 1 . . . . 2035 ARG H . 15098 1 105 . 1 1 45 45 ARG HA H 1 4.309 0.020 . 1 . . . . 2035 ARG HA . 15098 1 106 . 1 1 45 45 ARG HB2 H 1 1.284 0.020 . 1 . . . . 2035 ARG HB2 . 15098 1 107 . 1 1 45 45 ARG HB3 H 1 1.284 0.020 . 1 . . . . 2035 ARG HB3 . 15098 1 108 . 1 1 45 45 ARG HG2 H 1 1.459 0.020 . 2 . . . . 2035 ARG HG2 . 15098 1 109 . 1 1 45 45 ARG HG3 H 1 1.338 0.020 . 2 . . . . 2035 ARG HG3 . 15098 1 110 . 1 1 45 45 ARG HD2 H 1 2.584 0.020 . 1 . . . . 2035 ARG HD2 . 15098 1 111 . 1 1 45 45 ARG HD3 H 1 2.584 0.020 . 1 . . . . 2035 ARG HD3 . 15098 1 112 . 1 1 45 45 ARG C C 13 175.068 0.400 . 1 . . . . 2035 ARG C . 15098 1 113 . 1 1 45 45 ARG CA C 13 53.809 0.400 . 1 . . . . 2035 ARG CA . 15098 1 114 . 1 1 45 45 ARG CB C 13 29.473 0.400 . 1 . . . . 2035 ARG CB . 15098 1 115 . 1 1 45 45 ARG CG C 13 26.403 0.400 . 1 . . . . 2035 ARG CG . 15098 1 116 . 1 1 45 45 ARG CD C 13 42.395 0.400 . 1 . . . . 2035 ARG CD . 15098 1 117 . 1 1 45 45 ARG N N 15 125.955 0.400 . 1 . . . . 2035 ARG N . 15098 1 118 . 1 1 46 46 ILE H H 1 8.325 0.020 . 1 . . . . 2036 ILE H . 15098 1 119 . 1 1 46 46 ILE HA H 1 3.827 0.020 . 1 . . . . 2036 ILE HA . 15098 1 120 . 1 1 46 46 ILE HB H 1 1.745 0.020 . 1 . . . . 2036 ILE HB . 15098 1 121 . 1 1 46 46 ILE HG12 H 1 1.462 0.020 . 2 . . . . 2036 ILE HG12 . 15098 1 122 . 1 1 46 46 ILE HG13 H 1 0.993 0.020 . 2 . . . . 2036 ILE HG13 . 15098 1 123 . 1 1 46 46 ILE HG21 H 1 0.540 0.020 . 1 . . . . 2036 ILE HG2 . 15098 1 124 . 1 1 46 46 ILE HG22 H 1 0.540 0.020 . 1 . . . . 2036 ILE HG2 . 15098 1 125 . 1 1 46 46 ILE HG23 H 1 0.540 0.020 . 1 . . . . 2036 ILE HG2 . 15098 1 126 . 1 1 46 46 ILE HD11 H 1 0.547 0.020 . 1 . . . . 2036 ILE HD1 . 15098 1 127 . 1 1 46 46 ILE HD12 H 1 0.547 0.020 . 1 . . . . 2036 ILE HD1 . 15098 1 128 . 1 1 46 46 ILE HD13 H 1 0.547 0.020 . 1 . . . . 2036 ILE HD1 . 15098 1 129 . 1 1 46 46 ILE C C 13 176.358 0.400 . 1 . . . . 2036 ILE C . 15098 1 130 . 1 1 46 46 ILE CA C 13 54.575 0.400 . 1 . . . . 2036 ILE CA . 15098 1 131 . 1 1 46 46 ILE CB C 13 37.009 0.400 . 1 . . . . 2036 ILE CB . 15098 1 132 . 1 1 46 46 ILE CG1 C 13 25.335 0.400 . 1 . . . . 2036 ILE CG1 . 15098 1 133 . 1 1 46 46 ILE CG2 C 13 16.977 0.400 . 1 . . . . 2036 ILE CG2 . 15098 1 134 . 1 1 46 46 ILE CD1 C 13 10.453 0.400 . 1 . . . . 2036 ILE CD1 . 15098 1 135 . 1 1 46 46 ILE N N 15 127.367 0.400 . 1 . . . . 2036 ILE N . 15098 1 136 . 1 1 47 47 PRO HA H 1 4.555 0.020 . 1 . . . . 2037 PRO HA . 15098 1 137 . 1 1 47 47 PRO HB2 H 1 1.806 0.020 . 2 . . . . 2037 PRO HB2 . 15098 1 138 . 1 1 47 47 PRO HB3 H 1 2.086 0.020 . 2 . . . . 2037 PRO HB3 . 15098 1 139 . 1 1 47 47 PRO HG2 H 1 1.856 0.020 . 2 . . . . 2037 PRO HG2 . 15098 1 140 . 1 1 47 47 PRO HG3 H 1 1.727 0.020 . 2 . . . . 2037 PRO HG3 . 15098 1 141 . 1 1 47 47 PRO HD2 H 1 3.283 0.020 . 2 . . . . 2037 PRO HD2 . 15098 1 142 . 1 1 47 47 PRO HD3 H 1 2.285 0.020 . 2 . . . . 2037 PRO HD3 . 15098 1 143 . 1 1 47 47 PRO C C 13 176.353 0.400 . 1 . . . . 2037 PRO C . 15098 1 144 . 1 1 47 47 PRO CA C 13 62.442 0.400 . 1 . . . . 2037 PRO CA . 15098 1 145 . 1 1 47 47 PRO CB C 13 32.388 0.400 . 1 . . . . 2037 PRO CB . 15098 1 146 . 1 1 47 47 PRO CG C 13 28.36 0.400 . 1 . . . . 2037 PRO CG . 15098 1 147 . 1 1 47 47 PRO CD C 13 49.714 0.400 . 1 . . . . 2037 PRO CD . 15098 1 148 . 1 1 48 48 VAL H H 1 7.876 0.020 . 1 . . . . 2038 VAL H . 15098 1 149 . 1 1 48 48 VAL HA H 1 5.182 0.020 . 1 . . . . 2038 VAL HA . 15098 1 150 . 1 1 48 48 VAL HB H 1 2.109 0.020 . 1 . . . . 2038 VAL HB . 15098 1 151 . 1 1 48 48 VAL HG11 H 1 0.561 0.020 . 2 . . . . 2038 VAL HG1 . 15098 1 152 . 1 1 48 48 VAL HG12 H 1 0.561 0.020 . 2 . . . . 2038 VAL HG1 . 15098 1 153 . 1 1 48 48 VAL HG13 H 1 0.561 0.020 . 2 . . . . 2038 VAL HG1 . 15098 1 154 . 1 1 48 48 VAL HG21 H 1 0.592 0.020 . 2 . . . . 2038 VAL HG2 . 15098 1 155 . 1 1 48 48 VAL HG22 H 1 0.592 0.020 . 2 . . . . 2038 VAL HG2 . 15098 1 156 . 1 1 48 48 VAL HG23 H 1 0.592 0.020 . 2 . . . . 2038 VAL HG2 . 15098 1 157 . 1 1 48 48 VAL C C 13 173.554 0.400 . 1 . . . . 2038 VAL C . 15098 1 158 . 1 1 48 48 VAL CA C 13 58.323 0.400 . 1 . . . . 2038 VAL CA . 15098 1 159 . 1 1 48 48 VAL CB C 13 36.324 0.400 . 1 . . . . 2038 VAL CB . 15098 1 160 . 1 1 48 48 VAL CG1 C 13 19.44 0.400 . 1 . . . . 2038 VAL CG1 . 15098 1 161 . 1 1 48 48 VAL CG2 C 13 21.124 0.400 . 1 . . . . 2038 VAL CG2 . 15098 1 162 . 1 1 48 48 VAL N N 15 113.225 0.400 . 1 . . . . 2038 VAL N . 15098 1 163 . 1 1 49 49 ILE H H 1 9.584 0.020 . 1 . . . . 2039 ILE H . 15098 1 164 . 1 1 49 49 ILE HA H 1 5.428 0.020 . 1 . . . . 2039 ILE HA . 15098 1 165 . 1 1 49 49 ILE HB H 1 1.536 0.020 . 1 . . . . 2039 ILE HB . 15098 1 166 . 1 1 49 49 ILE HG12 H 1 1.389 0.020 . 2 . . . . 2039 ILE HG12 . 15098 1 167 . 1 1 49 49 ILE HG13 H 1 0.917 0.020 . 2 . . . . 2039 ILE HG13 . 15098 1 168 . 1 1 49 49 ILE HG21 H 1 0.851 0.020 . 1 . . . . 2039 ILE HG2 . 15098 1 169 . 1 1 49 49 ILE HG22 H 1 0.851 0.020 . 1 . . . . 2039 ILE HG2 . 15098 1 170 . 1 1 49 49 ILE HG23 H 1 0.851 0.020 . 1 . . . . 2039 ILE HG2 . 15098 1 171 . 1 1 49 49 ILE HD11 H 1 0.850 0.020 . 1 . . . . 2039 ILE HD1 . 15098 1 172 . 1 1 49 49 ILE HD12 H 1 0.850 0.020 . 1 . . . . 2039 ILE HD1 . 15098 1 173 . 1 1 49 49 ILE HD13 H 1 0.850 0.020 . 1 . . . . 2039 ILE HD1 . 15098 1 174 . 1 1 49 49 ILE C C 13 173.663 0.400 . 1 . . . . 2039 ILE C . 15098 1 175 . 1 1 49 49 ILE CA C 13 57.643 0.400 . 1 . . . . 2039 ILE CA . 15098 1 176 . 1 1 49 49 ILE CB C 13 43.553 0.400 . 1 . . . . 2039 ILE CB . 15098 1 177 . 1 1 49 49 ILE CG1 C 13 28.584 0.400 . 1 . . . . 2039 ILE CG1 . 15098 1 178 . 1 1 49 49 ILE CG2 C 13 16.556 0.400 . 1 . . . . 2039 ILE CG2 . 15098 1 179 . 1 1 49 49 ILE CD1 C 13 14.505 0.400 . 1 . . . . 2039 ILE CD1 . 15098 1 180 . 1 1 49 49 ILE N N 15 119.695 0.400 . 1 . . . . 2039 ILE N . 15098 1 181 . 1 1 50 50 ASN H H 1 9.008 0.020 . 1 . . . . 2040 ASN H . 15098 1 182 . 1 1 50 50 ASN HA H 1 3.750 0.020 . 1 . . . . 2040 ASN HA . 15098 1 183 . 1 1 50 50 ASN HB2 H 1 2.958 0.020 . 2 . . . . 2040 ASN HB2 . 15098 1 184 . 1 1 50 50 ASN HB3 H 1 1.663 0.020 . 2 . . . . 2040 ASN HB3 . 15098 1 185 . 1 1 50 50 ASN HD21 H 1 6.119 0.020 . 2 . . . . 2040 ASN HD21 . 15098 1 186 . 1 1 50 50 ASN HD22 H 1 7.019 0.020 . 2 . . . . 2040 ASN HD22 . 15098 1 187 . 1 1 50 50 ASN C C 13 176.374 0.400 . 1 . . . . 2040 ASN C . 15098 1 188 . 1 1 50 50 ASN CA C 13 52.927 0.400 . 1 . . . . 2040 ASN CA . 15098 1 189 . 1 1 50 50 ASN CB C 13 39.458 0.400 . 1 . . . . 2040 ASN CB . 15098 1 190 . 1 1 50 50 ASN N N 15 126.596 0.400 . 1 . . . . 2040 ASN N . 15098 1 191 . 1 1 50 50 ASN ND2 N 15 114.225 0.400 . 1 . . . . 2040 ASN ND2 . 15098 1 192 . 1 1 51 51 LYS H H 1 9.001 0.020 . 1 . . . . 2041 LYS H . 15098 1 193 . 1 1 51 51 LYS HA H 1 3.887 0.020 . 1 . . . . 2041 LYS HA . 15098 1 194 . 1 1 51 51 LYS HB2 H 1 1.885 0.020 . 2 . . . . 2041 LYS HB2 . 15098 1 195 . 1 1 51 51 LYS HB3 H 1 1.812 0.020 . 2 . . . . 2041 LYS HB3 . 15098 1 196 . 1 1 51 51 LYS HG2 H 1 1.545 0.020 . 2 . . . . 2041 LYS HG2 . 15098 1 197 . 1 1 51 51 LYS HG3 H 1 1.386 0.020 . 2 . . . . 2041 LYS HG3 . 15098 1 198 . 1 1 51 51 LYS HD2 H 1 1.659 0.020 . 1 . . . . 2041 LYS HD2 . 15098 1 199 . 1 1 51 51 LYS HD3 H 1 1.659 0.020 . 1 . . . . 2041 LYS HD3 . 15098 1 200 . 1 1 51 51 LYS HE2 H 1 2.845 0.020 . 1 . . . . 2041 LYS HE2 . 15098 1 201 . 1 1 51 51 LYS HE3 H 1 2.845 0.020 . 1 . . . . 2041 LYS HE3 . 15098 1 202 . 1 1 51 51 LYS C C 13 176.704 0.400 . 1 . . . . 2041 LYS C . 15098 1 203 . 1 1 51 51 LYS CA C 13 58.593 0.400 . 1 . . . . 2041 LYS CA . 15098 1 204 . 1 1 51 51 LYS CB C 13 32.5 0.400 . 1 . . . . 2041 LYS CB . 15098 1 205 . 1 1 51 51 LYS CG C 13 25.346 0.400 . 1 . . . . 2041 LYS CG . 15098 1 206 . 1 1 51 51 LYS CD C 13 29.304 0.400 . 1 . . . . 2041 LYS CD . 15098 1 207 . 1 1 51 51 LYS CE C 13 42.09 0.400 . 1 . . . . 2041 LYS CE . 15098 1 208 . 1 1 51 51 LYS N N 15 127.161 0.400 . 1 . . . . 2041 LYS N . 15098 1 209 . 1 1 52 52 VAL H H 1 8.590 0.020 . 1 . . . . 2042 VAL H . 15098 1 210 . 1 1 52 52 VAL HA H 1 3.830 0.020 . 1 . . . . 2042 VAL HA . 15098 1 211 . 1 1 52 52 VAL HB H 1 2.127 0.020 . 1 . . . . 2042 VAL HB . 15098 1 212 . 1 1 52 52 VAL HG11 H 1 0.884 0.020 . 2 . . . . 2042 VAL HG1 . 15098 1 213 . 1 1 52 52 VAL HG12 H 1 0.884 0.020 . 2 . . . . 2042 VAL HG1 . 15098 1 214 . 1 1 52 52 VAL HG13 H 1 0.884 0.020 . 2 . . . . 2042 VAL HG1 . 15098 1 215 . 1 1 52 52 VAL HG21 H 1 0.836 0.020 . 2 . . . . 2042 VAL HG2 . 15098 1 216 . 1 1 52 52 VAL HG22 H 1 0.836 0.020 . 2 . . . . 2042 VAL HG2 . 15098 1 217 . 1 1 52 52 VAL HG23 H 1 0.836 0.020 . 2 . . . . 2042 VAL HG2 . 15098 1 218 . 1 1 52 52 VAL C C 13 177.375 0.400 . 1 . . . . 2042 VAL C . 15098 1 219 . 1 1 52 52 VAL CA C 13 64.757 0.400 . 1 . . . . 2042 VAL CA . 15098 1 220 . 1 1 52 52 VAL CB C 13 31.878 0.400 . 1 . . . . 2042 VAL CB . 15098 1 221 . 1 1 52 52 VAL CG1 C 13 21.684 0.400 . 1 . . . . 2042 VAL CG1 . 15098 1 222 . 1 1 52 52 VAL CG2 C 13 20.979 0.400 . 1 . . . . 2042 VAL CG2 . 15098 1 223 . 1 1 52 52 VAL N N 15 119.187 0.400 . 1 . . . . 2042 VAL N . 15098 1 224 . 1 1 53 53 ASP H H 1 7.564 0.020 . 1 . . . . 2043 ASP H . 15098 1 225 . 1 1 53 53 ASP HA H 1 4.716 0.020 . 1 . . . . 2043 ASP HA . 15098 1 226 . 1 1 53 53 ASP HB2 H 1 3.003 0.020 . 2 . . . . 2043 ASP HB2 . 15098 1 227 . 1 1 53 53 ASP HB3 H 1 2.282 0.020 . 2 . . . . 2043 ASP HB3 . 15098 1 228 . 1 1 53 53 ASP C C 13 177.79 0.400 . 1 . . . . 2043 ASP C . 15098 1 229 . 1 1 53 53 ASP CA C 13 52.768 0.400 . 1 . . . . 2043 ASP CA . 15098 1 230 . 1 1 53 53 ASP CB C 13 42.292 0.400 . 1 . . . . 2043 ASP CB . 15098 1 231 . 1 1 53 53 ASP N N 15 116.022 0.400 . 1 . . . . 2043 ASP N . 15098 1 232 . 1 1 54 54 GLY H H 1 8.068 0.020 . 1 . . . . 2044 GLY H . 15098 1 233 . 1 1 54 54 GLY HA2 H 1 4.078 0.020 . 2 . . . . 2044 GLY HA2 . 15098 1 234 . 1 1 54 54 GLY HA3 H 1 3.688 0.020 . 2 . . . . 2044 GLY HA3 . 15098 1 235 . 1 1 54 54 GLY C C 13 174.225 0.400 . 1 . . . . 2044 GLY C . 15098 1 236 . 1 1 54 54 GLY CA C 13 46.097 0.400 . 1 . . . . 2044 GLY CA . 15098 1 237 . 1 1 54 54 GLY N N 15 109.334 0.400 . 1 . . . . 2044 GLY N . 15098 1 238 . 1 1 55 55 THR H H 1 8.223 0.020 . 1 . . . . 2045 THR H . 15098 1 239 . 1 1 55 55 THR HA H 1 3.921 0.020 . 1 . . . . 2045 THR HA . 15098 1 240 . 1 1 55 55 THR HB H 1 4.103 0.020 . 1 . . . . 2045 THR HB . 15098 1 241 . 1 1 55 55 THR HG21 H 1 1.243 0.020 . 1 . . . . 2045 THR HG2 . 15098 1 242 . 1 1 55 55 THR HG22 H 1 1.243 0.020 . 1 . . . . 2045 THR HG2 . 15098 1 243 . 1 1 55 55 THR HG23 H 1 1.243 0.020 . 1 . . . . 2045 THR HG2 . 15098 1 244 . 1 1 55 55 THR C C 13 172.283 0.400 . 1 . . . . 2045 THR C . 15098 1 245 . 1 1 55 55 THR CA C 13 64.896 0.400 . 1 . . . . 2045 THR CA . 15098 1 246 . 1 1 55 55 THR CB C 13 69.836 0.400 . 1 . . . . 2045 THR CB . 15098 1 247 . 1 1 55 55 THR CG2 C 13 21.462 0.400 . 1 . . . . 2045 THR CG2 . 15098 1 248 . 1 1 55 55 THR N N 15 116.469 0.400 . 1 . . . . 2045 THR N . 15098 1 249 . 1 1 56 56 LEU H H 1 8.323 0.020 . 1 . . . . 2046 LEU H . 15098 1 250 . 1 1 56 56 LEU HA H 1 5.216 0.020 . 1 . . . . 2046 LEU HA . 15098 1 251 . 1 1 56 56 LEU HB2 H 1 1.686 0.020 . 2 . . . . 2046 LEU HB2 . 15098 1 252 . 1 1 56 56 LEU HB3 H 1 1.417 0.020 . 2 . . . . 2046 LEU HB3 . 15098 1 253 . 1 1 56 56 LEU HG H 1 1.405 0.020 . 1 . . . . 2046 LEU HG . 15098 1 254 . 1 1 56 56 LEU HD11 H 1 0.800 0.020 . 2 . . . . 2046 LEU HD1 . 15098 1 255 . 1 1 56 56 LEU HD12 H 1 0.800 0.020 . 2 . . . . 2046 LEU HD1 . 15098 1 256 . 1 1 56 56 LEU HD13 H 1 0.800 0.020 . 2 . . . . 2046 LEU HD1 . 15098 1 257 . 1 1 56 56 LEU HD21 H 1 0.813 0.020 . 2 . . . . 2046 LEU HD2 . 15098 1 258 . 1 1 56 56 LEU HD22 H 1 0.813 0.020 . 2 . . . . 2046 LEU HD2 . 15098 1 259 . 1 1 56 56 LEU HD23 H 1 0.813 0.020 . 2 . . . . 2046 LEU HD2 . 15098 1 260 . 1 1 56 56 LEU C C 13 175.065 0.400 . 1 . . . . 2046 LEU C . 15098 1 261 . 1 1 56 56 LEU CA C 13 53.988 0.400 . 1 . . . . 2046 LEU CA . 15098 1 262 . 1 1 56 56 LEU CB C 13 44.926 0.400 . 1 . . . . 2046 LEU CB . 15098 1 263 . 1 1 56 56 LEU CG C 13 27.613 0.400 . 1 . . . . 2046 LEU CG . 15098 1 264 . 1 1 56 56 LEU CD1 C 13 25.833 0.400 . 1 . . . . 2046 LEU CD1 . 15098 1 265 . 1 1 56 56 LEU CD2 C 13 24.012 0.400 . 1 . . . . 2046 LEU CD2 . 15098 1 266 . 1 1 56 56 LEU N N 15 127.204 0.400 . 1 . . . . 2046 LEU N . 15098 1 267 . 1 1 57 57 LEU H H 1 9.020 0.020 . 1 . . . . 2047 LEU H . 15098 1 268 . 1 1 57 57 LEU HA H 1 4.812 0.020 . 1 . . . . 2047 LEU HA . 15098 1 269 . 1 1 57 57 LEU HB2 H 1 1.602 0.020 . 2 . . . . 2047 LEU HB2 . 15098 1 270 . 1 1 57 57 LEU HB3 H 1 0.842 0.020 . 2 . . . . 2047 LEU HB3 . 15098 1 271 . 1 1 57 57 LEU HG H 1 1.570 0.020 . 1 . . . . 2047 LEU HG . 15098 1 272 . 1 1 57 57 LEU HD11 H 1 0.607 0.020 . 2 . . . . 2047 LEU HD1 . 15098 1 273 . 1 1 57 57 LEU HD12 H 1 0.607 0.020 . 2 . . . . 2047 LEU HD1 . 15098 1 274 . 1 1 57 57 LEU HD13 H 1 0.607 0.020 . 2 . . . . 2047 LEU HD1 . 15098 1 275 . 1 1 57 57 LEU HD21 H 1 0.799 0.020 . 2 . . . . 2047 LEU HD2 . 15098 1 276 . 1 1 57 57 LEU HD22 H 1 0.799 0.020 . 2 . . . . 2047 LEU HD2 . 15098 1 277 . 1 1 57 57 LEU HD23 H 1 0.799 0.020 . 2 . . . . 2047 LEU HD2 . 15098 1 278 . 1 1 57 57 LEU C C 13 174.558 0.400 . 1 . . . . 2047 LEU C . 15098 1 279 . 1 1 57 57 LEU CA C 13 53.998 0.400 . 1 . . . . 2047 LEU CA . 15098 1 280 . 1 1 57 57 LEU CB C 13 41.944 0.400 . 1 . . . . 2047 LEU CB . 15098 1 281 . 1 1 57 57 LEU CG C 13 26.68 0.400 . 1 . . . . 2047 LEU CG . 15098 1 282 . 1 1 57 57 LEU CD1 C 13 25.54 0.400 . 1 . . . . 2047 LEU CD1 . 15098 1 283 . 1 1 57 57 LEU CD2 C 13 23.149 0.400 . 1 . . . . 2047 LEU CD2 . 15098 1 284 . 1 1 57 57 LEU N N 15 126.889 0.400 . 1 . . . . 2047 LEU N . 15098 1 285 . 1 1 58 58 VAL H H 1 8.109 0.020 . 1 . . . . 2048 VAL H . 15098 1 286 . 1 1 58 58 VAL HA H 1 4.373 0.020 . 1 . . . . 2048 VAL HA . 15098 1 287 . 1 1 58 58 VAL HB H 1 2.021 0.020 . 1 . . . . 2048 VAL HB . 15098 1 288 . 1 1 58 58 VAL HG11 H 1 0.729 0.020 . 2 . . . . 2048 VAL HG1 . 15098 1 289 . 1 1 58 58 VAL HG12 H 1 0.729 0.020 . 2 . . . . 2048 VAL HG1 . 15098 1 290 . 1 1 58 58 VAL HG13 H 1 0.729 0.020 . 2 . . . . 2048 VAL HG1 . 15098 1 291 . 1 1 58 58 VAL HG21 H 1 0.793 0.020 . 2 . . . . 2048 VAL HG2 . 15098 1 292 . 1 1 58 58 VAL HG22 H 1 0.793 0.020 . 2 . . . . 2048 VAL HG2 . 15098 1 293 . 1 1 58 58 VAL HG23 H 1 0.793 0.020 . 2 . . . . 2048 VAL HG2 . 15098 1 294 . 1 1 58 58 VAL C C 13 176.31 0.400 . 1 . . . . 2048 VAL C . 15098 1 295 . 1 1 58 58 VAL CA C 13 58.84 0.400 . 1 . . . . 2048 VAL CA . 15098 1 296 . 1 1 58 58 VAL CB C 13 35.951 0.400 . 1 . . . . 2048 VAL CB . 15098 1 297 . 1 1 58 58 VAL CG1 C 13 18.719 0.400 . 1 . . . . 2048 VAL CG1 . 15098 1 298 . 1 1 58 58 VAL CG2 C 13 21.681 0.400 . 1 . . . . 2048 VAL CG2 . 15098 1 299 . 1 1 58 58 VAL N N 15 113.102 0.400 . 1 . . . . 2048 VAL N . 15098 1 300 . 1 1 59 59 GLY H H 1 8.499 0.020 . 1 . . . . 2049 GLY H . 15098 1 301 . 1 1 59 59 GLY HA2 H 1 3.774 0.020 . 2 . . . . 2049 GLY HA2 . 15098 1 302 . 1 1 59 59 GLY HA3 H 1 3.568 0.020 . 2 . . . . 2049 GLY HA3 . 15098 1 303 . 1 1 59 59 GLY C C 13 175.107 0.400 . 1 . . . . 2049 GLY C . 15098 1 304 . 1 1 59 59 GLY CA C 13 46.118 0.400 . 1 . . . . 2049 GLY CA . 15098 1 305 . 1 1 59 59 GLY N N 15 110.182 0.400 . 1 . . . . 2049 GLY N . 15098 1 306 . 1 1 60 60 GLU H H 1 8.614 0.020 . 1 . . . . 2050 GLU H . 15098 1 307 . 1 1 60 60 GLU HA H 1 3.739 0.020 . 1 . . . . 2050 GLU HA . 15098 1 308 . 1 1 60 60 GLU HB2 H 1 2.032 0.020 . 2 . . . . 2050 GLU HB2 . 15098 1 309 . 1 1 60 60 GLU HB3 H 1 1.885 0.020 . 2 . . . . 2050 GLU HB3 . 15098 1 310 . 1 1 60 60 GLU HG2 H 1 2.265 0.020 . 2 . . . . 2050 GLU HG2 . 15098 1 311 . 1 1 60 60 GLU HG3 H 1 2.222 0.020 . 2 . . . . 2050 GLU HG3 . 15098 1 312 . 1 1 60 60 GLU C C 13 175.823 0.400 . 1 . . . . 2050 GLU C . 15098 1 313 . 1 1 60 60 GLU CA C 13 58.329 0.400 . 1 . . . . 2050 GLU CA . 15098 1 314 . 1 1 60 60 GLU CB C 13 29.21 0.400 . 1 . . . . 2050 GLU CB . 15098 1 315 . 1 1 60 60 GLU CG C 13 36.769 0.400 . 1 . . . . 2050 GLU CG . 15098 1 316 . 1 1 60 60 GLU N N 15 121.760 0.400 . 1 . . . . 2050 GLU N . 15098 1 317 . 1 1 61 61 ASP H H 1 7.440 0.020 . 1 . . . . 2051 ASP H . 15098 1 318 . 1 1 61 61 ASP HA H 1 4.425 0.020 . 1 . . . . 2051 ASP HA . 15098 1 319 . 1 1 61 61 ASP HB2 H 1 2.691 0.020 . 2 . . . . 2051 ASP HB2 . 15098 1 320 . 1 1 61 61 ASP HB3 H 1 2.601 0.020 . 2 . . . . 2051 ASP HB3 . 15098 1 321 . 1 1 61 61 ASP C C 13 174.491 0.400 . 1 . . . . 2051 ASP C . 15098 1 322 . 1 1 61 61 ASP CA C 13 54.791 0.400 . 1 . . . . 2051 ASP CA . 15098 1 323 . 1 1 61 61 ASP CB C 13 41.963 0.400 . 1 . . . . 2051 ASP CB . 15098 1 324 . 1 1 61 61 ASP N N 15 115.252 0.400 . 1 . . . . 2051 ASP N . 15098 1 325 . 1 1 62 62 ALA H H 1 7.369 0.020 . 1 . . . . 2052 ALA H . 15098 1 326 . 1 1 62 62 ALA HA H 1 3.665 0.020 . 1 . . . . 2052 ALA HA . 15098 1 327 . 1 1 62 62 ALA HB1 H 1 0.935 0.020 . 1 . . . . 2052 ALA HB . 15098 1 328 . 1 1 62 62 ALA HB2 H 1 0.935 0.020 . 1 . . . . 2052 ALA HB . 15098 1 329 . 1 1 62 62 ALA HB3 H 1 0.935 0.020 . 1 . . . . 2052 ALA HB . 15098 1 330 . 1 1 62 62 ALA C C 13 173.457 0.400 . 1 . . . . 2052 ALA C . 15098 1 331 . 1 1 62 62 ALA CA C 13 49.087 0.400 . 1 . . . . 2052 ALA CA . 15098 1 332 . 1 1 62 62 ALA CB C 13 17.927 0.400 . 1 . . . . 2052 ALA CB . 15098 1 333 . 1 1 62 62 ALA N N 15 124.284 0.400 . 1 . . . . 2052 ALA N . 15098 1 334 . 1 1 63 63 PRO HA H 1 3.869 0.020 . 1 . . . . 2053 PRO HA . 15098 1 335 . 1 1 63 63 PRO HB2 H 1 1.264 0.020 . 2 . . . . 2053 PRO HB2 . 15098 1 336 . 1 1 63 63 PRO HB3 H 1 0.913 0.020 . 2 . . . . 2053 PRO HB3 . 15098 1 337 . 1 1 63 63 PRO HG2 H 1 0.524 0.020 . 2 . . . . 2053 PRO HG2 . 15098 1 338 . 1 1 63 63 PRO HG3 H 1 1.356 0.020 . 2 . . . . 2053 PRO HG3 . 15098 1 339 . 1 1 63 63 PRO HD2 H 1 3.214 0.020 . 2 . . . . 2053 PRO HD2 . 15098 1 340 . 1 1 63 63 PRO HD3 H 1 1.392 0.020 . 2 . . . . 2053 PRO HD3 . 15098 1 341 . 1 1 63 63 PRO C C 13 176.299 0.400 . 1 . . . . 2053 PRO C . 15098 1 342 . 1 1 63 63 PRO CA C 13 61.473 0.400 . 1 . . . . 2053 PRO CA . 15098 1 343 . 1 1 63 63 PRO CB C 13 30.608 0.400 . 1 . . . . 2053 PRO CB . 15098 1 344 . 1 1 63 63 PRO CG C 13 27.217 0.400 . 1 . . . . 2053 PRO CG . 15098 1 345 . 1 1 63 63 PRO CD C 13 48.476 0.400 . 1 . . . . 2053 PRO CD . 15098 1 346 . 1 1 64 64 ARG H H 1 8.470 0.020 . 1 . . . . 2054 ARG H . 15098 1 347 . 1 1 64 64 ARG HA H 1 4.310 0.020 . 1 . . . . 2054 ARG HA . 15098 1 348 . 1 1 64 64 ARG HB2 H 1 1.970 0.020 . 2 . . . . 2054 ARG HB2 . 15098 1 349 . 1 1 64 64 ARG HB3 H 1 1.446 0.020 . 2 . . . . 2054 ARG HB3 . 15098 1 350 . 1 1 64 64 ARG HG2 H 1 1.552 0.020 . 2 . . . . 2054 ARG HG2 . 15098 1 351 . 1 1 64 64 ARG HG3 H 1 1.451 0.020 . 2 . . . . 2054 ARG HG3 . 15098 1 352 . 1 1 64 64 ARG HD2 H 1 3.156 0.020 . 1 . . . . 2054 ARG HD2 . 15098 1 353 . 1 1 64 64 ARG HD3 H 1 3.156 0.020 . 1 . . . . 2054 ARG HD3 . 15098 1 354 . 1 1 64 64 ARG C C 13 178.877 0.400 . 1 . . . . 2054 ARG C . 15098 1 355 . 1 1 64 64 ARG CA C 13 55.673 0.400 . 1 . . . . 2054 ARG CA . 15098 1 356 . 1 1 64 64 ARG CB C 13 31.145 0.400 . 1 . . . . 2054 ARG CB . 15098 1 357 . 1 1 64 64 ARG CG C 13 28.167 0.400 . 1 . . . . 2054 ARG CG . 15098 1 358 . 1 1 64 64 ARG CD C 13 44.065 0.400 . 1 . . . . 2054 ARG CD . 15098 1 359 . 1 1 64 64 ARG N N 15 118.133 0.400 . 1 . . . . 2054 ARG N . 15098 1 360 . 1 1 65 65 ARG H H 1 8.776 0.020 . 1 . . . . 2055 ARG H . 15098 1 361 . 1 1 65 65 ARG HA H 1 3.808 0.020 . 1 . . . . 2055 ARG HA . 15098 1 362 . 1 1 65 65 ARG HB2 H 1 1.751 0.020 . 1 . . . . 2055 ARG HB2 . 15098 1 363 . 1 1 65 65 ARG HB3 H 1 1.751 0.020 . 1 . . . . 2055 ARG HB3 . 15098 1 364 . 1 1 65 65 ARG HG2 H 1 1.729 0.020 . 1 . . . . 2055 ARG HG2 . 15098 1 365 . 1 1 65 65 ARG HG3 H 1 1.729 0.020 . 1 . . . . 2055 ARG HG3 . 15098 1 366 . 1 1 65 65 ARG HD2 H 1 3.188 0.020 . 1 . . . . 2055 ARG HD2 . 15098 1 367 . 1 1 65 65 ARG HD3 H 1 3.188 0.020 . 1 . . . . 2055 ARG HD3 . 15098 1 368 . 1 1 65 65 ARG C C 13 178.964 0.400 . 1 . . . . 2055 ARG C . 15098 1 369 . 1 1 65 65 ARG CA C 13 59.667 0.400 . 1 . . . . 2055 ARG CA . 15098 1 370 . 1 1 65 65 ARG CB C 13 28.99 0.400 . 1 . . . . 2055 ARG CB . 15098 1 371 . 1 1 65 65 ARG CG C 13 27.65 0.400 . 1 . . . . 2055 ARG CG . 15098 1 372 . 1 1 65 65 ARG CD C 13 42.541 0.400 . 1 . . . . 2055 ARG CD . 15098 1 373 . 1 1 65 65 ARG N N 15 123.823 0.400 . 1 . . . . 2055 ARG N . 15098 1 374 . 1 1 66 66 ALA H H 1 8.621 0.020 . 1 . . . . 2056 ALA H . 15098 1 375 . 1 1 66 66 ALA HA H 1 4.119 0.020 . 1 . . . . 2056 ALA HA . 15098 1 376 . 1 1 66 66 ALA HB1 H 1 1.415 0.020 . 1 . . . . 2056 ALA HB . 15098 1 377 . 1 1 66 66 ALA HB2 H 1 1.415 0.020 . 1 . . . . 2056 ALA HB . 15098 1 378 . 1 1 66 66 ALA HB3 H 1 1.415 0.020 . 1 . . . . 2056 ALA HB . 15098 1 379 . 1 1 66 66 ALA C C 13 177.783 0.400 . 1 . . . . 2056 ALA C . 15098 1 380 . 1 1 66 66 ALA CA C 13 54.681 0.400 . 1 . . . . 2056 ALA CA . 15098 1 381 . 1 1 66 66 ALA CB C 13 19.593 0.400 . 1 . . . . 2056 ALA CB . 15098 1 382 . 1 1 66 66 ALA N N 15 118.019 0.400 . 1 . . . . 2056 ALA N . 15098 1 383 . 1 1 67 67 GLU H H 1 7.364 0.020 . 1 . . . . 2057 GLU H . 15098 1 384 . 1 1 67 67 GLU HA H 1 4.781 0.020 . 1 . . . . 2057 GLU HA . 15098 1 385 . 1 1 67 67 GLU HB2 H 1 2.236 0.020 . 2 . . . . 2057 GLU HB2 . 15098 1 386 . 1 1 67 67 GLU HB3 H 1 2.104 0.020 . 2 . . . . 2057 GLU HB3 . 15098 1 387 . 1 1 67 67 GLU HG2 H 1 2.461 0.020 . 2 . . . . 2057 GLU HG2 . 15098 1 388 . 1 1 67 67 GLU HG3 H 1 2.114 0.020 . 2 . . . . 2057 GLU HG3 . 15098 1 389 . 1 1 67 67 GLU C C 13 175.985 0.400 . 1 . . . . 2057 GLU C . 15098 1 390 . 1 1 67 67 GLU CA C 13 54.821 0.400 . 1 . . . . 2057 GLU CA . 15098 1 391 . 1 1 67 67 GLU CB C 13 30.94 0.400 . 1 . . . . 2057 GLU CB . 15098 1 392 . 1 1 67 67 GLU CG C 13 35.925 0.400 . 1 . . . . 2057 GLU CG . 15098 1 393 . 1 1 67 67 GLU N N 15 113.138 0.400 . 1 . . . . 2057 GLU N . 15098 1 394 . 1 1 68 68 LEU H H 1 7.399 0.020 . 1 . . . . 2058 LEU H . 15098 1 395 . 1 1 68 68 LEU HA H 1 3.786 0.020 . 1 . . . . 2058 LEU HA . 15098 1 396 . 1 1 68 68 LEU HB2 H 1 1.905 0.020 . 2 . . . . 2058 LEU HB2 . 15098 1 397 . 1 1 68 68 LEU HB3 H 1 1.484 0.020 . 2 . . . . 2058 LEU HB3 . 15098 1 398 . 1 1 68 68 LEU HD11 H 1 0.682 0.020 . 2 . . . . 2058 LEU HD1 . 15098 1 399 . 1 1 68 68 LEU HD12 H 1 0.682 0.020 . 2 . . . . 2058 LEU HD1 . 15098 1 400 . 1 1 68 68 LEU HD13 H 1 0.682 0.020 . 2 . . . . 2058 LEU HD1 . 15098 1 401 . 1 1 68 68 LEU HD21 H 1 0.858 0.020 . 2 . . . . 2058 LEU HD2 . 15098 1 402 . 1 1 68 68 LEU HD22 H 1 0.858 0.020 . 2 . . . . 2058 LEU HD2 . 15098 1 403 . 1 1 68 68 LEU HD23 H 1 0.858 0.020 . 2 . . . . 2058 LEU HD2 . 15098 1 404 . 1 1 68 68 LEU C C 13 176.721 0.400 . 1 . . . . 2058 LEU C . 15098 1 405 . 1 1 68 68 LEU CA C 13 59.389 0.400 . 1 . . . . 2058 LEU CA . 15098 1 406 . 1 1 68 68 LEU CB C 13 43.668 0.400 . 1 . . . . 2058 LEU CB . 15098 1 407 . 1 1 68 68 LEU CD1 C 13 22.963 0.400 . 1 . . . . 2058 LEU CD1 . 15098 1 408 . 1 1 68 68 LEU CD2 C 13 26.387 0.400 . 1 . . . . 2058 LEU CD2 . 15098 1 409 . 1 1 68 68 LEU N N 15 122.268 0.400 . 1 . . . . 2058 LEU N . 15098 1 410 . 1 1 69 69 GLU H H 1 8.960 0.020 . 1 . . . . 2059 GLU H . 15098 1 411 . 1 1 69 69 GLU HA H 1 3.955 0.020 . 1 . . . . 2059 GLU HA . 15098 1 412 . 1 1 69 69 GLU HB2 H 1 2.073 0.020 . 2 . . . . 2059 GLU HB2 . 15098 1 413 . 1 1 69 69 GLU HB3 H 1 2.010 0.020 . 2 . . . . 2059 GLU HB3 . 15098 1 414 . 1 1 69 69 GLU HG2 H 1 2.377 0.020 . 2 . . . . 2059 GLU HG2 . 15098 1 415 . 1 1 69 69 GLU HG3 H 1 2.304 0.020 . 2 . . . . 2059 GLU HG3 . 15098 1 416 . 1 1 69 69 GLU C C 13 179.624 0.400 . 1 . . . . 2059 GLU C . 15098 1 417 . 1 1 69 69 GLU CA C 13 61.064 0.400 . 1 . . . . 2059 GLU CA . 15098 1 418 . 1 1 69 69 GLU CB C 13 28.734 0.400 . 1 . . . . 2059 GLU CB . 15098 1 419 . 1 1 69 69 GLU CG C 13 36.947 0.400 . 1 . . . . 2059 GLU CG . 15098 1 420 . 1 1 69 69 GLU N N 15 117.059 0.400 . 1 . . . . 2059 GLU N . 15098 1 421 . 1 1 70 70 MET H H 1 8.208 0.020 . 1 . . . . 2060 MET H . 15098 1 422 . 1 1 70 70 MET C C 13 178.934 0.400 . 1 . . . . 2060 MET C . 15098 1 423 . 1 1 70 70 MET CA C 13 57.95 0.400 . 1 . . . . 2060 MET CA . 15098 1 424 . 1 1 70 70 MET CB C 13 31.945 0.400 . 1 . . . . 2060 MET CB . 15098 1 425 . 1 1 70 70 MET N N 15 118.935 0.400 . 1 . . . . 2060 MET N . 15098 1 426 . 1 1 71 71 TRP H H 1 9.181 0.020 . 1 . . . . 2061 TRP H . 15098 1 427 . 1 1 71 71 TRP HA H 1 4.175 0.020 . 1 . . . . 2061 TRP HA . 15098 1 428 . 1 1 71 71 TRP HB2 H 1 3.261 0.020 . 1 . . . . 2061 TRP HB2 . 15098 1 429 . 1 1 71 71 TRP HB3 H 1 3.261 0.020 . 1 . . . . 2061 TRP HB3 . 15098 1 430 . 1 1 71 71 TRP HD1 H 1 7.160 0.020 . 1 . . . . 2061 TRP HD1 . 15098 1 431 . 1 1 71 71 TRP HE1 H 1 9.764 0.020 . 1 . . . . 2061 TRP HE1 . 15098 1 432 . 1 1 71 71 TRP HE3 H 1 6.949 0.020 . 1 . . . . 2061 TRP HE3 . 15098 1 433 . 1 1 71 71 TRP HZ2 H 1 6.342 0.020 . 1 . . . . 2061 TRP HZ2 . 15098 1 434 . 1 1 71 71 TRP HZ3 H 1 6.387 0.020 . 1 . . . . 2061 TRP HZ3 . 15098 1 435 . 1 1 71 71 TRP HH2 H 1 5.203 0.020 . 1 . . . . 2061 TRP HH2 . 15098 1 436 . 1 1 71 71 TRP C C 13 181.425 0.400 . 1 . . . . 2061 TRP C . 15098 1 437 . 1 1 71 71 TRP CA C 13 63.258 0.400 . 1 . . . . 2061 TRP CA . 15098 1 438 . 1 1 71 71 TRP CB C 13 29.906 0.400 . 1 . . . . 2061 TRP CB . 15098 1 439 . 1 1 71 71 TRP CD1 C 13 126.965 0.400 . 1 . . . . 2061 TRP CD1 . 15098 1 440 . 1 1 71 71 TRP CE3 C 13 118.921 0.400 . 1 . . . . 2061 TRP CE3 . 15098 1 441 . 1 1 71 71 TRP CZ2 C 13 113.567 0.400 . 1 . . . . 2061 TRP CZ2 . 15098 1 442 . 1 1 71 71 TRP CH2 C 13 124.588 0.400 . 1 . . . . 2061 TRP CH2 . 15098 1 443 . 1 1 71 71 TRP N N 15 124.645 0.400 . 1 . . . . 2061 TRP N . 15098 1 444 . 1 1 71 71 TRP NE1 N 15 129.893 0.400 . 1 . . . . 2061 TRP NE1 . 15098 1 445 . 1 1 72 72 LEU H H 1 9.404 0.020 . 1 . . . . 2062 LEU H . 15098 1 446 . 1 1 72 72 LEU HA H 1 4.109 0.020 . 1 . . . . 2062 LEU HA . 15098 1 447 . 1 1 72 72 LEU HB2 H 1 2.079 0.020 . 2 . . . . 2062 LEU HB2 . 15098 1 448 . 1 1 72 72 LEU HB3 H 1 1.705 0.020 . 2 . . . . 2062 LEU HB3 . 15098 1 449 . 1 1 72 72 LEU HG H 1 2.107 0.020 . 1 . . . . 2062 LEU HG . 15098 1 450 . 1 1 72 72 LEU HD11 H 1 0.958 0.020 . 2 . . . . 2062 LEU HD1 . 15098 1 451 . 1 1 72 72 LEU HD12 H 1 0.958 0.020 . 2 . . . . 2062 LEU HD1 . 15098 1 452 . 1 1 72 72 LEU HD13 H 1 0.958 0.020 . 2 . . . . 2062 LEU HD1 . 15098 1 453 . 1 1 72 72 LEU HD21 H 1 1.061 0.020 . 2 . . . . 2062 LEU HD2 . 15098 1 454 . 1 1 72 72 LEU HD22 H 1 1.061 0.020 . 2 . . . . 2062 LEU HD2 . 15098 1 455 . 1 1 72 72 LEU HD23 H 1 1.061 0.020 . 2 . . . . 2062 LEU HD2 . 15098 1 456 . 1 1 72 72 LEU C C 13 180.275 0.400 . 1 . . . . 2062 LEU C . 15098 1 457 . 1 1 72 72 LEU CA C 13 58.564 0.400 . 1 . . . . 2062 LEU CA . 15098 1 458 . 1 1 72 72 LEU CB C 13 41.076 0.400 . 1 . . . . 2062 LEU CB . 15098 1 459 . 1 1 72 72 LEU CG C 13 27.436 0.400 . 1 . . . . 2062 LEU CG . 15098 1 460 . 1 1 72 72 LEU CD1 C 13 26.496 0.400 . 1 . . . . 2062 LEU CD1 . 15098 1 461 . 1 1 72 72 LEU CD2 C 13 21.873 0.400 . 1 . . . . 2062 LEU CD2 . 15098 1 462 . 1 1 72 72 LEU N N 15 121.144 0.400 . 1 . . . . 2062 LEU N . 15098 1 463 . 1 1 73 73 GLN H H 1 7.746 0.020 . 1 . . . . 2063 GLN H . 15098 1 464 . 1 1 73 73 GLN HA H 1 3.998 0.020 . 1 . . . . 2063 GLN HA . 15098 1 465 . 1 1 73 73 GLN HB2 H 1 2.193 0.020 . 2 . . . . 2063 GLN HB2 . 15098 1 466 . 1 1 73 73 GLN HB3 H 1 2.139 0.020 . 2 . . . . 2063 GLN HB3 . 15098 1 467 . 1 1 73 73 GLN HG2 H 1 2.526 0.020 . 2 . . . . 2063 GLN HG2 . 15098 1 468 . 1 1 73 73 GLN HG3 H 1 2.388 0.020 . 2 . . . . 2063 GLN HG3 . 15098 1 469 . 1 1 73 73 GLN HE21 H 1 6.762 0.020 . 2 . . . . 2063 GLN HE21 . 15098 1 470 . 1 1 73 73 GLN HE22 H 1 7.426 0.020 . 2 . . . . 2063 GLN HE22 . 15098 1 471 . 1 1 73 73 GLN C C 13 177.739 0.400 . 1 . . . . 2063 GLN C . 15098 1 472 . 1 1 73 73 GLN CA C 13 58.935 0.400 . 1 . . . . 2063 GLN CA . 15098 1 473 . 1 1 73 73 GLN CB C 13 28.214 0.400 . 1 . . . . 2063 GLN CB . 15098 1 474 . 1 1 73 73 GLN CG C 13 34.079 0.400 . 1 . . . . 2063 GLN CG . 15098 1 475 . 1 1 73 73 GLN N N 15 119.043 0.400 . 1 . . . . 2063 GLN N . 15098 1 476 . 1 1 73 73 GLN NE2 N 15 111.435 0.400 . 1 . . . . 2063 GLN NE2 . 15098 1 477 . 1 1 74 74 GLY H H 1 7.373 0.020 . 1 . . . . 2064 GLY H . 15098 1 478 . 1 1 74 74 GLY HA2 H 1 3.461 0.020 . 2 . . . . 2064 GLY HA2 . 15098 1 479 . 1 1 74 74 GLY HA3 H 1 3.985 0.020 . 2 . . . . 2064 GLY HA3 . 15098 1 480 . 1 1 74 74 GLY C C 13 172.675 0.400 . 1 . . . . 2064 GLY C . 15098 1 481 . 1 1 74 74 GLY CA C 13 44.62 0.400 . 1 . . . . 2064 GLY CA . 15098 1 482 . 1 1 74 74 GLY N N 15 102.844 0.400 . 1 . . . . 2064 GLY N . 15098 1 483 . 1 1 75 75 HIS H H 1 7.225 0.020 . 1 . . . . 2065 HIS H . 15098 1 484 . 1 1 75 75 HIS HA H 1 4.787 0.020 . 1 . . . . 2065 HIS HA . 15098 1 485 . 1 1 75 75 HIS HB2 H 1 2.632 0.020 . 2 . . . . 2065 HIS HB2 . 15098 1 486 . 1 1 75 75 HIS HB3 H 1 2.034 0.020 . 2 . . . . 2065 HIS HB3 . 15098 1 487 . 1 1 75 75 HIS C C 13 171.669 0.400 . 1 . . . . 2065 HIS C . 15098 1 488 . 1 1 75 75 HIS CA C 13 54.15 0.400 . 1 . . . . 2065 HIS CA . 15098 1 489 . 1 1 75 75 HIS CB C 13 27.923 0.400 . 1 . . . . 2065 HIS CB . 15098 1 490 . 1 1 75 75 HIS N N 15 117.883 0.400 . 1 . . . . 2065 HIS N . 15098 1 491 . 1 1 76 76 PRO HA H 1 4.690 0.020 . 1 . . . . 2066 PRO HA . 15098 1 492 . 1 1 76 76 PRO HB2 H 1 2.327 0.020 . 1 . . . . 2066 PRO HB2 . 15098 1 493 . 1 1 76 76 PRO HB3 H 1 2.327 0.020 . 1 . . . . 2066 PRO HB3 . 15098 1 494 . 1 1 76 76 PRO HG2 H 1 1.923 0.020 . 2 . . . . 2066 PRO HG2 . 15098 1 495 . 1 1 76 76 PRO HG3 H 1 1.892 0.020 . 2 . . . . 2066 PRO HG3 . 15098 1 496 . 1 1 76 76 PRO HD2 H 1 3.558 0.020 . 2 . . . . 2066 PRO HD2 . 15098 1 497 . 1 1 76 76 PRO HD3 H 1 3.188 0.020 . 2 . . . . 2066 PRO HD3 . 15098 1 498 . 1 1 76 76 PRO C C 13 176.912 0.400 . 1 . . . . 2066 PRO C . 15098 1 499 . 1 1 76 76 PRO CA C 13 64.582 0.400 . 1 . . . . 2066 PRO CA . 15098 1 500 . 1 1 76 76 PRO CB C 13 32.076 0.400 . 1 . . . . 2066 PRO CB . 15098 1 501 . 1 1 76 76 PRO CG C 13 27.107 0.400 . 1 . . . . 2066 PRO CG . 15098 1 502 . 1 1 76 76 PRO CD C 13 50.377 0.400 . 1 . . . . 2066 PRO CD . 15098 1 503 . 1 1 77 77 GLU H H 1 9.221 0.020 . 1 . . . . 2067 GLU H . 15098 1 504 . 1 1 77 77 GLU HA H 1 4.244 0.020 . 1 . . . . 2067 GLU HA . 15098 1 505 . 1 1 77 77 GLU HB2 H 1 2.022 0.020 . 2 . . . . 2067 GLU HB2 . 15098 1 506 . 1 1 77 77 GLU HB3 H 1 1.898 0.020 . 2 . . . . 2067 GLU HB3 . 15098 1 507 . 1 1 77 77 GLU HG2 H 1 2.226 0.020 . 2 . . . . 2067 GLU HG2 . 15098 1 508 . 1 1 77 77 GLU C C 13 175.11 0.400 . 1 . . . . 2067 GLU C . 15098 1 509 . 1 1 77 77 GLU CA C 13 57.622 0.400 . 1 . . . . 2067 GLU CA . 15098 1 510 . 1 1 77 77 GLU CB C 13 28.887 0.400 . 1 . . . . 2067 GLU CB . 15098 1 511 . 1 1 77 77 GLU CG C 13 36.927 0.400 . 1 . . . . 2067 GLU CG . 15098 1 512 . 1 1 77 77 GLU N N 15 118.639 0.400 . 1 . . . . 2067 GLU N . 15098 1 513 . 1 1 78 78 PHE H H 1 8.285 0.020 . 1 . . . . 2068 PHE H . 15098 1 514 . 1 1 78 78 PHE HA H 1 5.510 0.020 . 1 . . . . 2068 PHE HA . 15098 1 515 . 1 1 78 78 PHE HB2 H 1 3.459 0.020 . 2 . . . . 2068 PHE HB2 . 15098 1 516 . 1 1 78 78 PHE HB3 H 1 2.946 0.020 . 2 . . . . 2068 PHE HB3 . 15098 1 517 . 1 1 78 78 PHE HD1 H 1 7.137 0.020 . 1 . . . . 2068 PHE HD1 . 15098 1 518 . 1 1 78 78 PHE HD2 H 1 7.137 0.020 . 1 . . . . 2068 PHE HD2 . 15098 1 519 . 1 1 78 78 PHE HE1 H 1 7.391 0.020 . 1 . . . . 2068 PHE HE1 . 15098 1 520 . 1 1 78 78 PHE HE2 H 1 7.391 0.020 . 1 . . . . 2068 PHE HE2 . 15098 1 521 . 1 1 78 78 PHE HZ H 1 7.509 0.020 . 1 . . . . 2068 PHE HZ . 15098 1 522 . 1 1 78 78 PHE C C 13 174.836 0.400 . 1 . . . . 2068 PHE C . 15098 1 523 . 1 1 78 78 PHE CA C 13 57.472 0.400 . 1 . . . . 2068 PHE CA . 15098 1 524 . 1 1 78 78 PHE CB C 13 43.793 0.400 . 1 . . . . 2068 PHE CB . 15098 1 525 . 1 1 78 78 PHE CD1 C 13 132.043 0.400 . 1 . . . . 2068 PHE CD1 . 15098 1 526 . 1 1 78 78 PHE CD2 C 13 132.043 0.400 . 1 . . . . 2068 PHE CD2 . 15098 1 527 . 1 1 78 78 PHE CE1 C 13 132.172 0.400 . 1 . . . . 2068 PHE CE1 . 15098 1 528 . 1 1 78 78 PHE CE2 C 13 132.172 0.400 . 1 . . . . 2068 PHE CE2 . 15098 1 529 . 1 1 78 78 PHE CZ C 13 129.967 0.400 . 1 . . . . 2068 PHE CZ . 15098 1 530 . 1 1 78 78 PHE N N 15 117.621 0.400 . 1 . . . . 2068 PHE N . 15098 1 531 . 1 1 79 79 ALA H H 1 9.057 0.020 . 1 . . . . 2069 ALA H . 15098 1 532 . 1 1 79 79 ALA HA H 1 4.756 0.020 . 1 . . . . 2069 ALA HA . 15098 1 533 . 1 1 79 79 ALA HB1 H 1 1.437 0.020 . 1 . . . . 2069 ALA HB . 15098 1 534 . 1 1 79 79 ALA HB2 H 1 1.437 0.020 . 1 . . . . 2069 ALA HB . 15098 1 535 . 1 1 79 79 ALA HB3 H 1 1.437 0.020 . 1 . . . . 2069 ALA HB . 15098 1 536 . 1 1 79 79 ALA C C 13 175.941 0.400 . 1 . . . . 2069 ALA C . 15098 1 537 . 1 1 79 79 ALA CA C 13 50.351 0.400 . 1 . . . . 2069 ALA CA . 15098 1 538 . 1 1 79 79 ALA CB C 13 23.415 0.400 . 1 . . . . 2069 ALA CB . 15098 1 539 . 1 1 79 79 ALA N N 15 120.889 0.400 . 1 . . . . 2069 ALA N . 15098 1 540 . 1 1 80 80 VAL H H 1 8.719 0.020 . 1 . . . . 2070 VAL H . 15098 1 541 . 1 1 80 80 VAL HA H 1 4.036 0.020 . 1 . . . . 2070 VAL HA . 15098 1 542 . 1 1 80 80 VAL HB H 1 1.888 0.020 . 1 . . . . 2070 VAL HB . 15098 1 543 . 1 1 80 80 VAL HG11 H 1 1.074 0.020 . 2 . . . . 2070 VAL HG1 . 15098 1 544 . 1 1 80 80 VAL HG12 H 1 1.074 0.020 . 2 . . . . 2070 VAL HG1 . 15098 1 545 . 1 1 80 80 VAL HG13 H 1 1.074 0.020 . 2 . . . . 2070 VAL HG1 . 15098 1 546 . 1 1 80 80 VAL HG21 H 1 1.135 0.020 . 2 . . . . 2070 VAL HG2 . 15098 1 547 . 1 1 80 80 VAL HG22 H 1 1.135 0.020 . 2 . . . . 2070 VAL HG2 . 15098 1 548 . 1 1 80 80 VAL HG23 H 1 1.135 0.020 . 2 . . . . 2070 VAL HG2 . 15098 1 549 . 1 1 80 80 VAL C C 13 175.433 0.400 . 1 . . . . 2070 VAL C . 15098 1 550 . 1 1 80 80 VAL CA C 13 64.327 0.400 . 1 . . . . 2070 VAL CA . 15098 1 551 . 1 1 80 80 VAL CB C 13 32.178 0.400 . 1 . . . . 2070 VAL CB . 15098 1 552 . 1 1 80 80 VAL CG1 C 13 23.747 0.400 . 1 . . . . 2070 VAL CG1 . 15098 1 553 . 1 1 80 80 VAL CG2 C 13 21.801 0.400 . 1 . . . . 2070 VAL CG2 . 15098 1 554 . 1 1 80 80 VAL N N 15 120.322 0.400 . 1 . . . . 2070 VAL N . 15098 1 555 . 1 1 81 81 ASP H H 1 8.309 0.020 . 1 . . . . 2071 ASP H . 15098 1 556 . 1 1 81 81 ASP HA H 1 4.476 0.020 . 1 . . . . 2071 ASP HA . 15098 1 557 . 1 1 81 81 ASP HB2 H 1 2.686 0.020 . 2 . . . . 2071 ASP HB2 . 15098 1 558 . 1 1 81 81 ASP HB3 H 1 2.308 0.020 . 2 . . . . 2071 ASP HB3 . 15098 1 559 . 1 1 81 81 ASP C C 13 176.092 0.400 . 1 . . . . 2071 ASP C . 15098 1 560 . 1 1 81 81 ASP CA C 13 52.609 0.400 . 1 . . . . 2071 ASP CA . 15098 1 561 . 1 1 81 81 ASP CB C 13 42.952 0.400 . 1 . . . . 2071 ASP CB . 15098 1 562 . 1 1 81 81 ASP N N 15 127.517 0.400 . 1 . . . . 2071 ASP N . 15098 1 563 . 1 1 82 82 PRO HA H 1 4.257 0.020 . 1 . . . . 2072 PRO HA . 15098 1 564 . 1 1 82 82 PRO HB2 H 1 2.418 0.020 . 2 . . . . 2072 PRO HB2 . 15098 1 565 . 1 1 82 82 PRO HB3 H 1 2.015 0.020 . 2 . . . . 2072 PRO HB3 . 15098 1 566 . 1 1 82 82 PRO HG2 H 1 2.025 0.020 . 2 . . . . 2072 PRO HG2 . 15098 1 567 . 1 1 82 82 PRO HG3 H 1 2.101 0.020 . 2 . . . . 2072 PRO HG3 . 15098 1 568 . 1 1 82 82 PRO HD2 H 1 4.058 0.020 . 1 . . . . 2072 PRO HD2 . 15098 1 569 . 1 1 82 82 PRO HD3 H 1 4.058 0.020 . 1 . . . . 2072 PRO HD3 . 15098 1 570 . 1 1 82 82 PRO C C 13 179.368 0.400 . 1 . . . . 2072 PRO C . 15098 1 571 . 1 1 82 82 PRO CA C 13 65.027 0.400 . 1 . . . . 2072 PRO CA . 15098 1 572 . 1 1 82 82 PRO CB C 13 32.366 0.400 . 1 . . . . 2072 PRO CB . 15098 1 573 . 1 1 82 82 PRO CG C 13 27.415 0.400 . 1 . . . . 2072 PRO CG . 15098 1 574 . 1 1 82 82 PRO CD C 13 51.597 0.400 . 1 . . . . 2072 PRO CD . 15098 1 575 . 1 1 83 83 ARG H H 1 8.622 0.020 . 1 . . . . 2073 ARG H . 15098 1 576 . 1 1 83 83 ARG HA H 1 4.099 0.020 . 1 . . . . 2073 ARG HA . 15098 1 577 . 1 1 83 83 ARG HB2 H 1 1.924 0.020 . 1 . . . . 2073 ARG HB2 . 15098 1 578 . 1 1 83 83 ARG HB3 H 1 1.924 0.020 . 1 . . . . 2073 ARG HB3 . 15098 1 579 . 1 1 83 83 ARG HG2 H 1 1.727 0.020 . 1 . . . . 2073 ARG HG2 . 15098 1 580 . 1 1 83 83 ARG HG3 H 1 1.727 0.020 . 1 . . . . 2073 ARG HG3 . 15098 1 581 . 1 1 83 83 ARG HD2 H 1 3.281 0.020 . 1 . . . . 2073 ARG HD2 . 15098 1 582 . 1 1 83 83 ARG HD3 H 1 3.281 0.020 . 1 . . . . 2073 ARG HD3 . 15098 1 583 . 1 1 83 83 ARG C C 13 179.095 0.400 . 1 . . . . 2073 ARG C . 15098 1 584 . 1 1 83 83 ARG CA C 13 58.924 0.400 . 1 . . . . 2073 ARG CA . 15098 1 585 . 1 1 83 83 ARG CB C 13 29.632 0.400 . 1 . . . . 2073 ARG CB . 15098 1 586 . 1 1 83 83 ARG CG C 13 27.041 0.400 . 1 . . . . 2073 ARG CG . 15098 1 587 . 1 1 83 83 ARG CD C 13 43.312 0.400 . 1 . . . . 2073 ARG CD . 15098 1 588 . 1 1 83 83 ARG N N 15 118.922 0.400 . 1 . . . . 2073 ARG N . 15098 1 589 . 1 1 84 84 PHE H H 1 7.841 0.020 . 1 . . . . 2074 PHE H . 15098 1 590 . 1 1 84 84 PHE HA H 1 4.375 0.020 . 1 . . . . 2074 PHE HA . 15098 1 591 . 1 1 84 84 PHE HB2 H 1 3.188 0.020 . 2 . . . . 2074 PHE HB2 . 15098 1 592 . 1 1 84 84 PHE HB3 H 1 3.230 0.020 . 2 . . . . 2074 PHE HB3 . 15098 1 593 . 1 1 84 84 PHE HD1 H 1 7.131 0.020 . 1 . . . . 2074 PHE HD1 . 15098 1 594 . 1 1 84 84 PHE HD2 H 1 7.131 0.020 . 1 . . . . 2074 PHE HD2 . 15098 1 595 . 1 1 84 84 PHE HE1 H 1 7.296 0.020 . 1 . . . . 2074 PHE HE1 . 15098 1 596 . 1 1 84 84 PHE HE2 H 1 7.296 0.020 . 1 . . . . 2074 PHE HE2 . 15098 1 597 . 1 1 84 84 PHE HZ H 1 7.213 0.020 . 1 . . . . 2074 PHE HZ . 15098 1 598 . 1 1 84 84 PHE C C 13 177.07 0.400 . 1 . . . . 2074 PHE C . 15098 1 599 . 1 1 84 84 PHE CA C 13 60.791 0.400 . 1 . . . . 2074 PHE CA . 15098 1 600 . 1 1 84 84 PHE CB C 13 39.739 0.400 . 1 . . . . 2074 PHE CB . 15098 1 601 . 1 1 84 84 PHE CD1 C 13 131.758 0.400 . 1 . . . . 2074 PHE CD1 . 15098 1 602 . 1 1 84 84 PHE CD2 C 13 131.758 0.400 . 1 . . . . 2074 PHE CD2 . 15098 1 603 . 1 1 84 84 PHE CE1 C 13 131.685 0.400 . 1 . . . . 2074 PHE CE1 . 15098 1 604 . 1 1 84 84 PHE CE2 C 13 131.685 0.400 . 1 . . . . 2074 PHE CE2 . 15098 1 605 . 1 1 84 84 PHE CZ C 13 129.893 0.400 . 1 . . . . 2074 PHE CZ . 15098 1 606 . 1 1 84 84 PHE N N 15 121.765 0.400 . 1 . . . . 2074 PHE N . 15098 1 607 . 1 1 85 85 LEU H H 1 7.746 0.020 . 1 . . . . 2075 LEU H . 15098 1 608 . 1 1 85 85 LEU HA H 1 3.929 0.020 . 1 . . . . 2075 LEU HA . 15098 1 609 . 1 1 85 85 LEU HB2 H 1 1.790 0.020 . 2 . . . . 2075 LEU HB2 . 15098 1 610 . 1 1 85 85 LEU HB3 H 1 1.579 0.020 . 2 . . . . 2075 LEU HB3 . 15098 1 611 . 1 1 85 85 LEU HG H 1 1.713 0.020 . 1 . . . . 2075 LEU HG . 15098 1 612 . 1 1 85 85 LEU HD11 H 1 0.939 0.020 . 2 . . . . 2075 LEU HD1 . 15098 1 613 . 1 1 85 85 LEU HD12 H 1 0.939 0.020 . 2 . . . . 2075 LEU HD1 . 15098 1 614 . 1 1 85 85 LEU HD13 H 1 0.939 0.020 . 2 . . . . 2075 LEU HD1 . 15098 1 615 . 1 1 85 85 LEU HD21 H 1 0.902 0.020 . 2 . . . . 2075 LEU HD2 . 15098 1 616 . 1 1 85 85 LEU HD22 H 1 0.902 0.020 . 2 . . . . 2075 LEU HD2 . 15098 1 617 . 1 1 85 85 LEU HD23 H 1 0.902 0.020 . 2 . . . . 2075 LEU HD2 . 15098 1 618 . 1 1 85 85 LEU C C 13 178.972 0.400 . 1 . . . . 2075 LEU C . 15098 1 619 . 1 1 85 85 LEU CA C 13 57.935 0.400 . 1 . . . . 2075 LEU CA . 15098 1 620 . 1 1 85 85 LEU CB C 13 41.242 0.400 . 1 . . . . 2075 LEU CB . 15098 1 621 . 1 1 85 85 LEU CG C 13 26.863 0.400 . 1 . . . . 2075 LEU CG . 15098 1 622 . 1 1 85 85 LEU CD1 C 13 25.328 0.400 . 1 . . . . 2075 LEU CD1 . 15098 1 623 . 1 1 85 85 LEU CD2 C 13 23.279 0.400 . 1 . . . . 2075 LEU CD2 . 15098 1 624 . 1 1 85 85 LEU N N 15 119.040 0.400 . 1 . . . . 2075 LEU N . 15098 1 625 . 1 1 86 86 ALA H H 1 7.857 0.020 . 1 . . . . 2076 ALA H . 15098 1 626 . 1 1 86 86 ALA HA H 1 4.105 0.020 . 1 . . . . 2076 ALA HA . 15098 1 627 . 1 1 86 86 ALA HB1 H 1 1.417 0.020 . 1 . . . . 2076 ALA HB . 15098 1 628 . 1 1 86 86 ALA HB2 H 1 1.417 0.020 . 1 . . . . 2076 ALA HB . 15098 1 629 . 1 1 86 86 ALA HB3 H 1 1.417 0.020 . 1 . . . . 2076 ALA HB . 15098 1 630 . 1 1 86 86 ALA C C 13 179.473 0.400 . 1 . . . . 2076 ALA C . 15098 1 631 . 1 1 86 86 ALA CA C 13 54.924 0.400 . 1 . . . . 2076 ALA CA . 15098 1 632 . 1 1 86 86 ALA CB C 13 17.961 0.400 . 1 . . . . 2076 ALA CB . 15098 1 633 . 1 1 86 86 ALA N N 15 120.982 0.400 . 1 . . . . 2076 ALA N . 15098 1 634 . 1 1 87 87 TYR H H 1 7.549 0.020 . 1 . . . . 2077 TYR H . 15098 1 635 . 1 1 87 87 TYR HA H 1 4.311 0.020 . 1 . . . . 2077 TYR HA . 15098 1 636 . 1 1 87 87 TYR HB2 H 1 3.105 0.020 . 2 . . . . 2077 TYR HB2 . 15098 1 637 . 1 1 87 87 TYR HB3 H 1 2.997 0.020 . 2 . . . . 2077 TYR HB3 . 15098 1 638 . 1 1 87 87 TYR HD1 H 1 6.846 0.020 . 1 . . . . 2077 TYR HD1 . 15098 1 639 . 1 1 87 87 TYR HD2 H 1 6.846 0.020 . 1 . . . . 2077 TYR HD2 . 15098 1 640 . 1 1 87 87 TYR HE1 H 1 6.713 0.020 . 1 . . . . 2077 TYR HE1 . 15098 1 641 . 1 1 87 87 TYR HE2 H 1 6.713 0.020 . 1 . . . . 2077 TYR HE2 . 15098 1 642 . 1 1 87 87 TYR C C 13 177.285 0.400 . 1 . . . . 2077 TYR C . 15098 1 643 . 1 1 87 87 TYR CA C 13 60.186 0.400 . 1 . . . . 2077 TYR CA . 15098 1 644 . 1 1 87 87 TYR CB C 13 37.757 0.400 . 1 . . . . 2077 TYR CB . 15098 1 645 . 1 1 87 87 TYR CD1 C 13 133.347 0.400 . 1 . . . . 2077 TYR CD1 . 15098 1 646 . 1 1 87 87 TYR CD2 C 13 133.347 0.400 . 1 . . . . 2077 TYR CD2 . 15098 1 647 . 1 1 87 87 TYR CE1 C 13 118.059 0.400 . 1 . . . . 2077 TYR CE1 . 15098 1 648 . 1 1 87 87 TYR CE2 C 13 118.059 0.400 . 1 . . . . 2077 TYR CE2 . 15098 1 649 . 1 1 87 87 TYR N N 15 120.168 0.400 . 1 . . . . 2077 TYR N . 15098 1 650 . 1 1 88 88 MET H H 1 8.022 0.020 . 1 . . . . 2078 MET H . 15098 1 651 . 1 1 88 88 MET HA H 1 3.857 0.020 . 1 . . . . 2078 MET HA . 15098 1 652 . 1 1 88 88 MET HB2 H 1 2.022 0.020 . 2 . . . . 2078 MET HB2 . 15098 1 653 . 1 1 88 88 MET HB3 H 1 1.920 0.020 . 2 . . . . 2078 MET HB3 . 15098 1 654 . 1 1 88 88 MET HG2 H 1 2.288 0.020 . 1 . . . . 2078 MET HG2 . 15098 1 655 . 1 1 88 88 MET HG3 H 1 2.288 0.020 . 1 . . . . 2078 MET HG3 . 15098 1 656 . 1 1 88 88 MET C C 13 178.526 0.400 . 1 . . . . 2078 MET C . 15098 1 657 . 1 1 88 88 MET CA C 13 57.354 0.400 . 1 . . . . 2078 MET CA . 15098 1 658 . 1 1 88 88 MET CB C 13 32.355 0.400 . 1 . . . . 2078 MET CB . 15098 1 659 . 1 1 88 88 MET CG C 13 32.422 0.400 . 1 . . . . 2078 MET CG . 15098 1 660 . 1 1 88 88 MET N N 15 118.228 0.400 . 1 . . . . 2078 MET N . 15098 1 661 . 1 1 89 89 GLU H H 1 8.085 0.020 . 1 . . . . 2079 GLU H . 15098 1 662 . 1 1 89 89 GLU HG3 H 1 2.260 0.020 . 2 . . . . 2079 GLU HG3 . 15098 1 663 . 1 1 89 89 GLU C C 13 178.025 0.400 . 1 . . . . 2079 GLU C . 15098 1 664 . 1 1 89 89 GLU CA C 13 58.775 0.400 . 1 . . . . 2079 GLU CA . 15098 1 665 . 1 1 89 89 GLU CG C 13 36.086 0.400 . 1 . . . . 2079 GLU CG . 15098 1 666 . 1 1 89 89 GLU N N 15 121.059 0.400 . 1 . . . . 2079 GLU N . 15098 1 667 . 1 1 90 90 ASP H H 1 7.989 0.020 . 1 . . . . 2080 ASP H . 15098 1 668 . 1 1 90 90 ASP HA H 1 4.391 0.020 . 1 . . . . 2080 ASP HA . 15098 1 669 . 1 1 90 90 ASP HB2 H 1 2.708 0.020 . 2 . . . . 2080 ASP HB2 . 15098 1 670 . 1 1 90 90 ASP HB3 H 1 2.620 0.020 . 2 . . . . 2080 ASP HB3 . 15098 1 671 . 1 1 90 90 ASP C C 13 178.083 0.400 . 1 . . . . 2080 ASP C . 15098 1 672 . 1 1 90 90 ASP CA C 13 56.989 0.400 . 1 . . . . 2080 ASP CA . 15098 1 673 . 1 1 90 90 ASP CB C 13 40.902 0.400 . 1 . . . . 2080 ASP CB . 15098 1 674 . 1 1 90 90 ASP N N 15 120.691 0.400 . 1 . . . . 2080 ASP N . 15098 1 stop_ save_