data_19710 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19710 _Entry.Title ; Solution structure of CDYL2 chromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-28 _Entry.Accession_date 2013-12-28 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Su Qin . . . 19710 2 Scott Houliston . . . 19710 3 Cheryl Arrowsmith . H. . 19710 4 Aled Edwards . M. . 19710 5 Hong Wu . . . 19710 6 Jinrong Min . . . 19710 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' 'Structural Genomics Consortium' . 19710 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chromodomain . 19710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 19710 '15N chemical shifts' 54 19710 '1H chemical shifts' 366 19710 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 . . 2014-04-22 2013-12-28 original author . 19710 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJ8 'BMRB Entry Tracking System' 19710 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19710 _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 structure of CDYL2 chromodomain' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Su Qin . . . 19710 1 2 Scott Houliston . . . 19710 1 3 Cheryl Arrowsmith . H. . 19710 1 4 Hong Wu . . . 19710 1 5 Jinrong Min . . . 19710 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19710 _Assembly.ID 1 _Assembly.Name 'CDYL2 chromodomain' _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 'CDYL2 chromodomain' 1 $CDYL2_CD A . yes native no no . . . 19710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CDYL2_CD _Entity.Sf_category entity _Entity.Sf_framecode CDYL2_CD _Entity.Entry_ID 19710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GASGDLYEVERIVDKRKNKK GKWEYLIRWKGYGSTEDTWE PEHHLLHCEEFIDEFNGLHM SKDK ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7695.667 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MJ8 . "Solution Structure Of Cdyl2 Chromodomain" . . . . . 100.00 64 100.00 100.00 4.37e-38 . . . . 19710 1 2 no PDB 4HAE . "Crystal Structure Of The Cdyl2-Chromodomain" . . . . . 100.00 81 100.00 100.00 3.30e-38 . . . . 19710 1 3 no DBJ BAB29852 . "unnamed protein product [Mus musculus]" . . . . . 98.44 503 98.41 100.00 6.34e-36 . . . . 19710 1 4 no DBJ BAC04720 . "unnamed protein product [Homo sapiens]" . . . . . 98.44 506 100.00 100.00 3.06e-36 . . . . 19710 1 5 no DBJ BAE24934 . "unnamed protein product [Mus musculus]" . . . . . 98.44 503 98.41 100.00 6.93e-36 . . . . 19710 1 6 no DBJ BAJ21089 . "chromodomain protein, Y-like 2 [synthetic construct]" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 7 no GB AAH58956 . "Chromodomain protein, Y chromosome-like 2 [Mus musculus]" . . . . . 98.44 503 98.41 100.00 6.34e-36 . . . . 19710 1 8 no GB AAH69440 . "Chromodomain protein, Y-like 2 [Homo sapiens]" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 9 no GB AAI00804 . "Chromodomain protein, Y-like 2 [Homo sapiens]" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 10 no GB AAI00805 . "Chromodomain protein, Y-like 2 [Homo sapiens]" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 11 no GB AAI00806 . "Chromodomain protein, Y-like 2 [Homo sapiens]" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 12 no REF NP_083717 . "chromodomain Y-like protein 2 [Mus musculus]" . . . . . 98.44 503 98.41 100.00 6.34e-36 . . . . 19710 1 13 no REF NP_689555 . "chromodomain Y-like protein 2 [Homo sapiens]" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 14 no REF XP_003791470 . "PREDICTED: chromodomain Y-like protein 2 [Otolemur garnettii]" . . . . . 87.50 520 98.21 100.00 3.62e-32 . . . . 19710 1 15 no REF XP_004392121 . "PREDICTED: chromodomain Y-like protein 2 [Odobenus rosmarus divergens]" . . . . . 98.44 505 98.41 100.00 1.11e-35 . . . . 19710 1 16 no REF XP_004690411 . "PREDICTED: chromodomain Y-like protein 2 [Condylura cristata]" . . . . . 98.44 506 98.41 100.00 8.98e-36 . . . . 19710 1 17 no SP Q8N8U2 . "RecName: Full=Chromodomain Y-like protein 2; Short=CDY-like 2" . . . . . 98.44 506 100.00 100.00 3.12e-36 . . . . 19710 1 18 no SP Q9D5D8 . "RecName: Full=Chromodomain Y-like protein 2; Short=CDY-like 2" . . . . . 98.44 503 98.41 100.00 6.34e-36 . . . . 19710 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 1 GLY . 19710 1 2 2 ALA . 19710 1 3 3 SER . 19710 1 4 4 GLY . 19710 1 5 5 ASP . 19710 1 6 6 LEU . 19710 1 7 7 TYR . 19710 1 8 8 GLU . 19710 1 9 9 VAL . 19710 1 10 10 GLU . 19710 1 11 11 ARG . 19710 1 12 12 ILE . 19710 1 13 13 VAL . 19710 1 14 14 ASP . 19710 1 15 15 LYS . 19710 1 16 16 ARG . 19710 1 17 17 LYS . 19710 1 18 18 ASN . 19710 1 19 19 LYS . 19710 1 20 20 LYS . 19710 1 21 21 GLY . 19710 1 22 22 LYS . 19710 1 23 23 TRP . 19710 1 24 24 GLU . 19710 1 25 25 TYR . 19710 1 26 26 LEU . 19710 1 27 27 ILE . 19710 1 28 28 ARG . 19710 1 29 29 TRP . 19710 1 30 30 LYS . 19710 1 31 31 GLY . 19710 1 32 32 TYR . 19710 1 33 33 GLY . 19710 1 34 34 SER . 19710 1 35 35 THR . 19710 1 36 36 GLU . 19710 1 37 37 ASP . 19710 1 38 38 THR . 19710 1 39 39 TRP . 19710 1 40 40 GLU . 19710 1 41 41 PRO . 19710 1 42 42 GLU . 19710 1 43 43 HIS . 19710 1 44 44 HIS . 19710 1 45 45 LEU . 19710 1 46 46 LEU . 19710 1 47 47 HIS . 19710 1 48 48 CYS . 19710 1 49 49 GLU . 19710 1 50 50 GLU . 19710 1 51 51 PHE . 19710 1 52 52 ILE . 19710 1 53 53 ASP . 19710 1 54 54 GLU . 19710 1 55 55 PHE . 19710 1 56 56 ASN . 19710 1 57 57 GLY . 19710 1 58 58 LEU . 19710 1 59 59 HIS . 19710 1 60 60 MET . 19710 1 61 61 SER . 19710 1 62 62 LYS . 19710 1 63 63 ASP . 19710 1 64 64 LYS . 19710 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19710 1 . ALA 2 2 19710 1 . SER 3 3 19710 1 . GLY 4 4 19710 1 . ASP 5 5 19710 1 . LEU 6 6 19710 1 . TYR 7 7 19710 1 . GLU 8 8 19710 1 . VAL 9 9 19710 1 . GLU 10 10 19710 1 . ARG 11 11 19710 1 . ILE 12 12 19710 1 . VAL 13 13 19710 1 . ASP 14 14 19710 1 . LYS 15 15 19710 1 . ARG 16 16 19710 1 . LYS 17 17 19710 1 . ASN 18 18 19710 1 . LYS 19 19 19710 1 . LYS 20 20 19710 1 . GLY 21 21 19710 1 . LYS 22 22 19710 1 . TRP 23 23 19710 1 . GLU 24 24 19710 1 . TYR 25 25 19710 1 . LEU 26 26 19710 1 . ILE 27 27 19710 1 . ARG 28 28 19710 1 . TRP 29 29 19710 1 . LYS 30 30 19710 1 . GLY 31 31 19710 1 . TYR 32 32 19710 1 . GLY 33 33 19710 1 . SER 34 34 19710 1 . THR 35 35 19710 1 . GLU 36 36 19710 1 . ASP 37 37 19710 1 . THR 38 38 19710 1 . TRP 39 39 19710 1 . GLU 40 40 19710 1 . PRO 41 41 19710 1 . GLU 42 42 19710 1 . HIS 43 43 19710 1 . HIS 44 44 19710 1 . LEU 45 45 19710 1 . LEU 46 46 19710 1 . HIS 47 47 19710 1 . CYS 48 48 19710 1 . GLU 49 49 19710 1 . GLU 50 50 19710 1 . PHE 51 51 19710 1 . ILE 52 52 19710 1 . ASP 53 53 19710 1 . GLU 54 54 19710 1 . PHE 55 55 19710 1 . ASN 56 56 19710 1 . GLY 57 57 19710 1 . LEU 58 58 19710 1 . HIS 59 59 19710 1 . MET 60 60 19710 1 . SER 61 61 19710 1 . LYS 62 62 19710 1 . ASP 63 63 19710 1 . LYS 64 64 19710 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 19710 _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 $CDYL2_CD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19710 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 19710 _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 $CDYL2_CD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-MHL . . . . . . 19710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19710 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19710 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19710 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19710 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19710 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19710 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 19710 _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' 0.15 . M 19710 1 pH 7.5 . pH 19710 1 pressure 1 . atm 19710 1 temperature 298 . K 19710 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19710 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19710 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19710 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19710 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19710 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19710 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19710 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19710 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19710 3 'data analysis' 19710 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19710 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19710 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19710 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19710 _Software.ID 5 _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' . . 19710 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19710 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19710 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19710 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19710 6 stop_ save_ save_fmcgui _Software.Sf_category software _Software.Sf_framecode fmcgui _Software.Entry_ID 19710 _Software.ID 7 _Software.Name fmcgui _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak A.' . . 19710 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19710 7 'data analysis' 19710 7 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 19710 _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 19710 _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 . . . 19710 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 19710 _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 . . . . . . . . . . . . . . . . 19710 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19710 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 19710 _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 . . . . . . . . . 19710 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19710 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19710 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 19710 _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' . . . 19710 1 2 '2D 1H-13C HSQC' . . . 19710 1 3 '3D HNCO' . . . 19710 1 4 '3D HNCA' . . . 19710 1 5 '3D CBCA(CO)NH' . . . 19710 1 6 '3D HBHA(CO)NH' . . . 19710 1 7 '3D 1H-15N NOESY' . . . 19710 1 8 '3D HCCH-TOCSY' . . . 19710 1 9 '3D 1H-13C NOESY' . . . 19710 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 2 2 ALA HA H 1 4.257 0.04 . 1 . . . A 2 ALA HA . 19710 1 2 . 1 1 2 2 ALA HB1 H 1 1.262 0.04 . 1 . . . A 2 ALA HB1 . 19710 1 3 . 1 1 2 2 ALA HB2 H 1 1.262 0.04 . 1 . . . A 2 ALA HB2 . 19710 1 4 . 1 1 2 2 ALA HB3 H 1 1.262 0.04 . 1 . . . A 2 ALA HB3 . 19710 1 5 . 1 1 2 2 ALA CA C 13 52.527 0.40 . 1 . . . A 2 ALA CA . 19710 1 6 . 1 1 2 2 ALA CB C 13 19.363 0.40 . 1 . . . A 2 ALA CB . 19710 1 7 . 1 1 4 4 GLY HA2 H 1 3.837 0.04 . 2 . . . A 4 GLY HA2 . 19710 1 8 . 1 1 4 4 GLY HA3 H 1 3.837 0.04 . 2 . . . A 4 GLY HA3 . 19710 1 9 . 1 1 4 4 GLY C C 13 173.756 0.40 . 1 . . . A 4 GLY C . 19710 1 10 . 1 1 4 4 GLY CA C 13 45.291 0.40 . 1 . . . A 4 GLY CA . 19710 1 11 . 1 1 5 5 ASP H H 1 8.028 0.04 . 1 . . . A 5 ASP H . 19710 1 12 . 1 1 5 5 ASP HA H 1 4.451 0.04 . 1 . . . A 5 ASP HA . 19710 1 13 . 1 1 5 5 ASP HB2 H 1 2.503 0.04 . 2 . . . A 5 ASP HB2 . 19710 1 14 . 1 1 5 5 ASP HB3 H 1 2.503 0.04 . 2 . . . A 5 ASP HB3 . 19710 1 15 . 1 1 5 5 ASP C C 13 175.671 0.40 . 1 . . . A 5 ASP C . 19710 1 16 . 1 1 5 5 ASP CA C 13 54.422 0.40 . 1 . . . A 5 ASP CA . 19710 1 17 . 1 1 5 5 ASP CB C 13 41.179 0.40 . 1 . . . A 5 ASP CB . 19710 1 18 . 1 1 5 5 ASP N N 15 120.203 0.40 . 1 . . . A 5 ASP N . 19710 1 19 . 1 1 6 6 LEU H H 1 7.873 0.04 . 1 . . . A 6 LEU H . 19710 1 20 . 1 1 6 6 LEU HA H 1 4.135 0.04 . 1 . . . A 6 LEU HA . 19710 1 21 . 1 1 6 6 LEU HB2 H 1 1.278 0.04 . 2 . . . A 6 LEU HB2 . 19710 1 22 . 1 1 6 6 LEU HB3 H 1 1.278 0.04 . 2 . . . A 6 LEU HB3 . 19710 1 23 . 1 1 6 6 LEU HG H 1 1.350 0.04 . 1 . . . A 6 LEU HG . 19710 1 24 . 1 1 6 6 LEU HD11 H 1 0.709 0.04 . 2 . . . A 6 LEU HD11 . 19710 1 25 . 1 1 6 6 LEU HD12 H 1 0.709 0.04 . 2 . . . A 6 LEU HD12 . 19710 1 26 . 1 1 6 6 LEU HD13 H 1 0.709 0.04 . 2 . . . A 6 LEU HD13 . 19710 1 27 . 1 1 6 6 LEU HD21 H 1 0.651 0.04 . 2 . . . A 6 LEU HD21 . 19710 1 28 . 1 1 6 6 LEU HD22 H 1 0.651 0.04 . 2 . . . A 6 LEU HD22 . 19710 1 29 . 1 1 6 6 LEU HD23 H 1 0.651 0.04 . 2 . . . A 6 LEU HD23 . 19710 1 30 . 1 1 6 6 LEU C C 13 176.638 0.40 . 1 . . . A 6 LEU C . 19710 1 31 . 1 1 6 6 LEU CA C 13 55.097 0.40 . 1 . . . A 6 LEU CA . 19710 1 32 . 1 1 6 6 LEU CB C 13 42.364 0.40 . 1 . . . A 6 LEU CB . 19710 1 33 . 1 1 6 6 LEU CG C 13 26.782 0.40 . 1 . . . A 6 LEU CG . 19710 1 34 . 1 1 6 6 LEU CD1 C 13 24.647 0.40 . 2 . . . A 6 LEU CD1 . 19710 1 35 . 1 1 6 6 LEU CD2 C 13 23.500 0.40 . 2 . . . A 6 LEU CD2 . 19710 1 36 . 1 1 6 6 LEU N N 15 121.200 0.40 . 1 . . . A 6 LEU N . 19710 1 37 . 1 1 7 7 TYR H H 1 8.011 0.04 . 1 . . . A 7 TYR H . 19710 1 38 . 1 1 7 7 TYR HA H 1 4.631 0.04 . 1 . . . A 7 TYR HA . 19710 1 39 . 1 1 7 7 TYR HB2 H 1 2.593 0.04 . 2 . . . A 7 TYR HB2 . 19710 1 40 . 1 1 7 7 TYR HB3 H 1 2.331 0.04 . 2 . . . A 7 TYR HB3 . 19710 1 41 . 1 1 7 7 TYR C C 13 175.047 0.40 . 1 . . . A 7 TYR C . 19710 1 42 . 1 1 7 7 TYR CA C 13 57.261 0.40 . 1 . . . A 7 TYR CA . 19710 1 43 . 1 1 7 7 TYR CB C 13 38.921 0.40 . 1 . . . A 7 TYR CB . 19710 1 44 . 1 1 7 7 TYR N N 15 121.938 0.40 . 1 . . . A 7 TYR N . 19710 1 45 . 1 1 8 8 GLU H H 1 9.047 0.04 . 1 . . . A 8 GLU H . 19710 1 46 . 1 1 8 8 GLU HA H 1 4.769 0.04 . 1 . . . A 8 GLU HA . 19710 1 47 . 1 1 8 8 GLU HB2 H 1 2.044 0.04 . 2 . . . A 8 GLU HB2 . 19710 1 48 . 1 1 8 8 GLU HB3 H 1 2.044 0.04 . 2 . . . A 8 GLU HB3 . 19710 1 49 . 1 1 8 8 GLU HG2 H 1 2.268 0.04 . 2 . . . A 8 GLU HG2 . 19710 1 50 . 1 1 8 8 GLU HG3 H 1 2.183 0.04 . 2 . . . A 8 GLU HG3 . 19710 1 51 . 1 1 8 8 GLU C C 13 175.583 0.40 . 1 . . . A 8 GLU C . 19710 1 52 . 1 1 8 8 GLU CA C 13 54.988 0.40 . 1 . . . A 8 GLU CA . 19710 1 53 . 1 1 8 8 GLU CB C 13 32.551 0.40 . 1 . . . A 8 GLU CB . 19710 1 54 . 1 1 8 8 GLU CG C 13 36.659 0.40 . 1 . . . A 8 GLU CG . 19710 1 55 . 1 1 8 8 GLU N N 15 122.393 0.40 . 1 . . . A 8 GLU N . 19710 1 56 . 1 1 9 9 VAL H H 1 8.677 0.04 . 1 . . . A 9 VAL H . 19710 1 57 . 1 1 9 9 VAL HA H 1 3.092 0.04 . 1 . . . A 9 VAL HA . 19710 1 58 . 1 1 9 9 VAL HB H 1 1.454 0.04 . 1 . . . A 9 VAL HB . 19710 1 59 . 1 1 9 9 VAL HG11 H 1 0.640 0.04 . 2 . . . A 9 VAL HG11 . 19710 1 60 . 1 1 9 9 VAL HG12 H 1 0.640 0.04 . 2 . . . A 9 VAL HG12 . 19710 1 61 . 1 1 9 9 VAL HG13 H 1 0.640 0.04 . 2 . . . A 9 VAL HG13 . 19710 1 62 . 1 1 9 9 VAL HG21 H 1 -0.116 0.04 . 2 . . . A 9 VAL HG21 . 19710 1 63 . 1 1 9 9 VAL HG22 H 1 -0.116 0.04 . 2 . . . A 9 VAL HG22 . 19710 1 64 . 1 1 9 9 VAL HG23 H 1 -0.116 0.04 . 2 . . . A 9 VAL HG23 . 19710 1 65 . 1 1 9 9 VAL C C 13 175.170 0.40 . 1 . . . A 9 VAL C . 19710 1 66 . 1 1 9 9 VAL CA C 13 64.309 0.40 . 1 . . . A 9 VAL CA . 19710 1 67 . 1 1 9 9 VAL CB C 13 32.983 0.40 . 1 . . . A 9 VAL CB . 19710 1 68 . 1 1 9 9 VAL CG1 C 13 22.049 0.40 . 2 . . . A 9 VAL CG1 . 19710 1 69 . 1 1 9 9 VAL CG2 C 13 20.224 0.40 . 2 . . . A 9 VAL CG2 . 19710 1 70 . 1 1 9 9 VAL N N 15 126.546 0.40 . 1 . . . A 9 VAL N . 19710 1 71 . 1 1 10 10 GLU H H 1 9.120 0.04 . 1 . . . A 10 GLU H . 19710 1 72 . 1 1 10 10 GLU HA H 1 4.234 0.04 . 1 . . . A 10 GLU HA . 19710 1 73 . 1 1 10 10 GLU HB2 H 1 1.638 0.04 . 2 . . . A 10 GLU HB2 . 19710 1 74 . 1 1 10 10 GLU HB3 H 1 1.638 0.04 . 2 . . . A 10 GLU HB3 . 19710 1 75 . 1 1 10 10 GLU HG2 H 1 2.058 0.04 . 2 . . . A 10 GLU HG2 . 19710 1 76 . 1 1 10 10 GLU HG3 H 1 1.886 0.04 . 2 . . . A 10 GLU HG3 . 19710 1 77 . 1 1 10 10 GLU C C 13 175.505 0.40 . 1 . . . A 10 GLU C . 19710 1 78 . 1 1 10 10 GLU CA C 13 57.459 0.40 . 1 . . . A 10 GLU CA . 19710 1 79 . 1 1 10 10 GLU CB C 13 31.296 0.40 . 1 . . . A 10 GLU CB . 19710 1 80 . 1 1 10 10 GLU CG C 13 36.517 0.40 . 1 . . . A 10 GLU CG . 19710 1 81 . 1 1 10 10 GLU N N 15 126.674 0.40 . 1 . . . A 10 GLU N . 19710 1 82 . 1 1 11 11 ARG H H 1 7.476 0.04 . 1 . . . A 11 ARG H . 19710 1 83 . 1 1 11 11 ARG HA H 1 4.115 0.04 . 1 . . . A 11 ARG HA . 19710 1 84 . 1 1 11 11 ARG HB2 H 1 1.859 0.04 . 2 . . . A 11 ARG HB2 . 19710 1 85 . 1 1 11 11 ARG HB3 H 1 1.620 0.04 . 2 . . . A 11 ARG HB3 . 19710 1 86 . 1 1 11 11 ARG HG2 H 1 1.205 0.04 . 2 . . . A 11 ARG HG2 . 19710 1 87 . 1 1 11 11 ARG HG3 H 1 1.075 0.04 . 2 . . . A 11 ARG HG3 . 19710 1 88 . 1 1 11 11 ARG HD2 H 1 3.051 0.04 . 2 . . . A 11 ARG HD2 . 19710 1 89 . 1 1 11 11 ARG HD3 H 1 3.051 0.04 . 2 . . . A 11 ARG HD3 . 19710 1 90 . 1 1 11 11 ARG C C 13 172.330 0.40 . 1 . . . A 11 ARG C . 19710 1 91 . 1 1 11 11 ARG CA C 13 54.723 0.40 . 1 . . . A 11 ARG CA . 19710 1 92 . 1 1 11 11 ARG CB C 13 32.309 0.40 . 1 . . . A 11 ARG CB . 19710 1 93 . 1 1 11 11 ARG CG C 13 26.261 0.40 . 1 . . . A 11 ARG CG . 19710 1 94 . 1 1 11 11 ARG CD C 13 43.223 0.40 . 1 . . . A 11 ARG CD . 19710 1 95 . 1 1 11 11 ARG N N 15 111.321 0.40 . 1 . . . A 11 ARG N . 19710 1 96 . 1 1 12 12 ILE H H 1 8.295 0.04 . 1 . . . A 12 ILE H . 19710 1 97 . 1 1 12 12 ILE HA H 1 4.085 0.04 . 1 . . . A 12 ILE HA . 19710 1 98 . 1 1 12 12 ILE HB H 1 1.327 0.04 . 1 . . . A 12 ILE HB . 19710 1 99 . 1 1 12 12 ILE HG12 H 1 1.032 0.04 . 2 . . . A 12 ILE HG12 . 19710 1 100 . 1 1 12 12 ILE HG13 H 1 0.648 0.04 . 2 . . . A 12 ILE HG13 . 19710 1 101 . 1 1 12 12 ILE HG21 H 1 0.217 0.04 . 1 . . . A 12 ILE HG21 . 19710 1 102 . 1 1 12 12 ILE HG22 H 1 0.217 0.04 . 1 . . . A 12 ILE HG22 . 19710 1 103 . 1 1 12 12 ILE HG23 H 1 0.217 0.04 . 1 . . . A 12 ILE HG23 . 19710 1 104 . 1 1 12 12 ILE HD11 H 1 0.187 0.04 . 1 . . . A 12 ILE HD11 . 19710 1 105 . 1 1 12 12 ILE HD12 H 1 0.187 0.04 . 1 . . . A 12 ILE HD12 . 19710 1 106 . 1 1 12 12 ILE HD13 H 1 0.187 0.04 . 1 . . . A 12 ILE HD13 . 19710 1 107 . 1 1 12 12 ILE C C 13 175.353 0.40 . 1 . . . A 12 ILE C . 19710 1 108 . 1 1 12 12 ILE CA C 13 60.515 0.40 . 1 . . . A 12 ILE CA . 19710 1 109 . 1 1 12 12 ILE CB C 13 38.338 0.40 . 1 . . . A 12 ILE CB . 19710 1 110 . 1 1 12 12 ILE CG1 C 13 28.168 0.40 . 1 . . . A 12 ILE CG1 . 19710 1 111 . 1 1 12 12 ILE CG2 C 13 18.286 0.40 . 1 . . . A 12 ILE CG2 . 19710 1 112 . 1 1 12 12 ILE CD1 C 13 13.317 0.40 . 1 . . . A 12 ILE CD1 . 19710 1 113 . 1 1 12 12 ILE N N 15 120.610 0.40 . 1 . . . A 12 ILE N . 19710 1 114 . 1 1 13 13 VAL H H 1 8.939 0.04 . 1 . . . A 13 VAL H . 19710 1 115 . 1 1 13 13 VAL HA H 1 4.047 0.04 . 1 . . . A 13 VAL HA . 19710 1 116 . 1 1 13 13 VAL HB H 1 1.648 0.04 . 1 . . . A 13 VAL HB . 19710 1 117 . 1 1 13 13 VAL HG11 H 1 0.678 0.04 . 2 . . . A 13 VAL HG11 . 19710 1 118 . 1 1 13 13 VAL HG12 H 1 0.678 0.04 . 2 . . . A 13 VAL HG12 . 19710 1 119 . 1 1 13 13 VAL HG13 H 1 0.678 0.04 . 2 . . . A 13 VAL HG13 . 19710 1 120 . 1 1 13 13 VAL HG21 H 1 0.474 0.04 . 2 . . . A 13 VAL HG21 . 19710 1 121 . 1 1 13 13 VAL HG22 H 1 0.474 0.04 . 2 . . . A 13 VAL HG22 . 19710 1 122 . 1 1 13 13 VAL HG23 H 1 0.474 0.04 . 2 . . . A 13 VAL HG23 . 19710 1 123 . 1 1 13 13 VAL C C 13 175.311 0.40 . 1 . . . A 13 VAL C . 19710 1 124 . 1 1 13 13 VAL CA C 13 62.460 0.40 . 1 . . . A 13 VAL CA . 19710 1 125 . 1 1 13 13 VAL CB C 13 33.344 0.40 . 1 . . . A 13 VAL CB . 19710 1 126 . 1 1 13 13 VAL CG1 C 13 21.707 0.40 . 2 . . . A 13 VAL CG1 . 19710 1 127 . 1 1 13 13 VAL CG2 C 13 20.555 0.40 . 2 . . . A 13 VAL CG2 . 19710 1 128 . 1 1 13 13 VAL N N 15 122.026 0.40 . 1 . . . A 13 VAL N . 19710 1 129 . 1 1 14 14 ASP H H 1 7.236 0.04 . 1 . . . A 14 ASP H . 19710 1 130 . 1 1 14 14 ASP HA H 1 4.776 0.04 . 1 . . . A 14 ASP HA . 19710 1 131 . 1 1 14 14 ASP HB2 H 1 2.568 0.04 . 2 . . . A 14 ASP HB2 . 19710 1 132 . 1 1 14 14 ASP HB3 H 1 2.417 0.04 . 2 . . . A 14 ASP HB3 . 19710 1 133 . 1 1 14 14 ASP C C 13 173.374 0.40 . 1 . . . A 14 ASP C . 19710 1 134 . 1 1 14 14 ASP CA C 13 53.034 0.40 . 1 . . . A 14 ASP CA . 19710 1 135 . 1 1 14 14 ASP CB C 13 43.749 0.40 . 1 . . . A 14 ASP CB . 19710 1 136 . 1 1 14 14 ASP N N 15 117.407 0.40 . 1 . . . A 14 ASP N . 19710 1 137 . 1 1 15 15 LYS H H 1 9.430 0.04 . 1 . . . A 15 LYS H . 19710 1 138 . 1 1 15 15 LYS HA H 1 5.517 0.04 . 1 . . . A 15 LYS HA . 19710 1 139 . 1 1 15 15 LYS HB2 H 1 1.540 0.04 . 2 . . . A 15 LYS HB2 . 19710 1 140 . 1 1 15 15 LYS HB3 H 1 1.450 0.04 . 2 . . . A 15 LYS HB3 . 19710 1 141 . 1 1 15 15 LYS HG2 H 1 1.269 0.04 . 2 . . . A 15 LYS HG2 . 19710 1 142 . 1 1 15 15 LYS HG3 H 1 0.922 0.04 . 2 . . . A 15 LYS HG3 . 19710 1 143 . 1 1 15 15 LYS HD2 H 1 1.336 0.04 . 2 . . . A 15 LYS HD2 . 19710 1 144 . 1 1 15 15 LYS HD3 H 1 0.761 0.04 . 2 . . . A 15 LYS HD3 . 19710 1 145 . 1 1 15 15 LYS HE2 H 1 2.115 0.04 . 2 . . . A 15 LYS HE2 . 19710 1 146 . 1 1 15 15 LYS HE3 H 1 2.035 0.04 . 2 . . . A 15 LYS HE3 . 19710 1 147 . 1 1 15 15 LYS C C 13 173.885 0.40 . 1 . . . A 15 LYS C . 19710 1 148 . 1 1 15 15 LYS CA C 13 55.716 0.40 . 1 . . . A 15 LYS CA . 19710 1 149 . 1 1 15 15 LYS CB C 13 37.575 0.40 . 1 . . . A 15 LYS CB . 19710 1 150 . 1 1 15 15 LYS CG C 13 23.748 0.40 . 1 . . . A 15 LYS CG . 19710 1 151 . 1 1 15 15 LYS CD C 13 30.553 0.40 . 1 . . . A 15 LYS CD . 19710 1 152 . 1 1 15 15 LYS CE C 13 41.305 0.40 . 1 . . . A 15 LYS CE . 19710 1 153 . 1 1 15 15 LYS N N 15 118.628 0.40 . 1 . . . A 15 LYS N . 19710 1 154 . 1 1 16 16 ARG H H 1 9.326 0.04 . 1 . . . A 16 ARG H . 19710 1 155 . 1 1 16 16 ARG HA H 1 4.872 0.04 . 1 . . . A 16 ARG HA . 19710 1 156 . 1 1 16 16 ARG HB2 H 1 1.620 0.04 . 2 . . . A 16 ARG HB2 . 19710 1 157 . 1 1 16 16 ARG HB3 H 1 1.437 0.04 . 2 . . . A 16 ARG HB3 . 19710 1 158 . 1 1 16 16 ARG HG2 H 1 1.069 0.04 . 2 . . . A 16 ARG HG2 . 19710 1 159 . 1 1 16 16 ARG HG3 H 1 0.667 0.04 . 2 . . . A 16 ARG HG3 . 19710 1 160 . 1 1 16 16 ARG HD2 H 1 2.127 0.04 . 2 . . . A 16 ARG HD2 . 19710 1 161 . 1 1 16 16 ARG HD3 H 1 1.050 0.04 . 2 . . . A 16 ARG HD3 . 19710 1 162 . 1 1 16 16 ARG C C 13 172.365 0.40 . 1 . . . A 16 ARG C . 19710 1 163 . 1 1 16 16 ARG CA C 13 54.680 0.40 . 1 . . . A 16 ARG CA . 19710 1 164 . 1 1 16 16 ARG CB C 13 32.460 0.40 . 1 . . . A 16 ARG CB . 19710 1 165 . 1 1 16 16 ARG CG C 13 25.264 0.40 . 1 . . . A 16 ARG CG . 19710 1 166 . 1 1 16 16 ARG CD C 13 42.520 0.40 . 1 . . . A 16 ARG CD . 19710 1 167 . 1 1 16 16 ARG N N 15 120.175 0.40 . 1 . . . A 16 ARG N . 19710 1 168 . 1 1 17 17 LYS H H 1 8.480 0.04 . 1 . . . A 17 LYS H . 19710 1 169 . 1 1 17 17 LYS HA H 1 4.306 0.04 . 1 . . . A 17 LYS HA . 19710 1 170 . 1 1 17 17 LYS HB2 H 1 1.145 0.04 . 2 . . . A 17 LYS HB2 . 19710 1 171 . 1 1 17 17 LYS HB3 H 1 0.899 0.04 . 2 . . . A 17 LYS HB3 . 19710 1 172 . 1 1 17 17 LYS HG2 H 1 0.448 0.04 . 2 . . . A 17 LYS HG2 . 19710 1 173 . 1 1 17 17 LYS HG3 H 1 0.253 0.04 . 2 . . . A 17 LYS HG3 . 19710 1 174 . 1 1 17 17 LYS HD2 H 1 0.877 0.04 . 2 . . . A 17 LYS HD2 . 19710 1 175 . 1 1 17 17 LYS HD3 H 1 0.790 0.04 . 2 . . . A 17 LYS HD3 . 19710 1 176 . 1 1 17 17 LYS HE2 H 1 1.989 0.04 . 2 . . . A 17 LYS HE2 . 19710 1 177 . 1 1 17 17 LYS HE3 H 1 1.926 0.04 . 2 . . . A 17 LYS HE3 . 19710 1 178 . 1 1 17 17 LYS C C 13 176.978 0.40 . 1 . . . A 17 LYS C . 19710 1 179 . 1 1 17 17 LYS CA C 13 54.557 0.40 . 1 . . . A 17 LYS CA . 19710 1 180 . 1 1 17 17 LYS CB C 13 33.310 0.40 . 1 . . . A 17 LYS CB . 19710 1 181 . 1 1 17 17 LYS CG C 13 24.142 0.40 . 1 . . . A 17 LYS CG . 19710 1 182 . 1 1 17 17 LYS CD C 13 28.825 0.40 . 1 . . . A 17 LYS CD . 19710 1 183 . 1 1 17 17 LYS CE C 13 41.151 0.40 . 1 . . . A 17 LYS CE . 19710 1 184 . 1 1 17 17 LYS N N 15 122.374 0.40 . 1 . . . A 17 LYS N . 19710 1 185 . 1 1 18 18 ASN H H 1 8.736 0.04 . 1 . . . A 18 ASN H . 19710 1 186 . 1 1 18 18 ASN HA H 1 4.482 0.04 . 1 . . . A 18 ASN HA . 19710 1 187 . 1 1 18 18 ASN HB2 H 1 3.320 0.04 . 2 . . . A 18 ASN HB2 . 19710 1 188 . 1 1 18 18 ASN HB3 H 1 2.382 0.04 . 2 . . . A 18 ASN HB3 . 19710 1 189 . 1 1 18 18 ASN CA C 13 50.611 0.40 . 1 . . . A 18 ASN CA . 19710 1 190 . 1 1 18 18 ASN CB C 13 39.055 0.40 . 1 . . . A 18 ASN CB . 19710 1 191 . 1 1 18 18 ASN N N 15 123.092 0.40 . 1 . . . A 18 ASN N . 19710 1 192 . 1 1 19 19 LYS HA H 1 3.939 0.04 . 1 . . . A 19 LYS HA . 19710 1 193 . 1 1 19 19 LYS HB2 H 1 1.737 0.04 . 2 . . . A 19 LYS HB2 . 19710 1 194 . 1 1 19 19 LYS HB3 H 1 1.737 0.04 . 2 . . . A 19 LYS HB3 . 19710 1 195 . 1 1 19 19 LYS HG2 H 1 1.367 0.04 . 2 . . . A 19 LYS HG2 . 19710 1 196 . 1 1 19 19 LYS HG3 H 1 1.367 0.04 . 2 . . . A 19 LYS HG3 . 19710 1 197 . 1 1 19 19 LYS HD2 H 1 1.571 0.04 . 2 . . . A 19 LYS HD2 . 19710 1 198 . 1 1 19 19 LYS HD3 H 1 1.571 0.04 . 2 . . . A 19 LYS HD3 . 19710 1 199 . 1 1 19 19 LYS HE2 H 1 2.887 0.04 . 2 . . . A 19 LYS HE2 . 19710 1 200 . 1 1 19 19 LYS HE3 H 1 2.887 0.04 . 2 . . . A 19 LYS HE3 . 19710 1 201 . 1 1 19 19 LYS C C 13 177.548 0.40 . 1 . . . A 19 LYS C . 19710 1 202 . 1 1 19 19 LYS CA C 13 58.543 0.40 . 1 . . . A 19 LYS CA . 19710 1 203 . 1 1 19 19 LYS CB C 13 31.933 0.40 . 1 . . . A 19 LYS CB . 19710 1 204 . 1 1 19 19 LYS CG C 13 24.909 0.40 . 1 . . . A 19 LYS CG . 19710 1 205 . 1 1 19 19 LYS CD C 13 28.920 0.40 . 1 . . . A 19 LYS CD . 19710 1 206 . 1 1 19 19 LYS CE C 13 41.978 0.40 . 1 . . . A 19 LYS CE . 19710 1 207 . 1 1 20 20 LYS H H 1 7.491 0.04 . 1 . . . A 20 LYS H . 19710 1 208 . 1 1 20 20 LYS HA H 1 4.262 0.04 . 1 . . . A 20 LYS HA . 19710 1 209 . 1 1 20 20 LYS HB2 H 1 1.929 0.04 . 2 . . . A 20 LYS HB2 . 19710 1 210 . 1 1 20 20 LYS HB3 H 1 1.638 0.04 . 2 . . . A 20 LYS HB3 . 19710 1 211 . 1 1 20 20 LYS HE2 H 1 2.865 0.04 . 2 . . . A 20 LYS HE2 . 19710 1 212 . 1 1 20 20 LYS HE3 H 1 2.865 0.04 . 2 . . . A 20 LYS HE3 . 19710 1 213 . 1 1 20 20 LYS C C 13 176.514 0.40 . 1 . . . A 20 LYS C . 19710 1 214 . 1 1 20 20 LYS CA C 13 55.489 0.40 . 1 . . . A 20 LYS CA . 19710 1 215 . 1 1 20 20 LYS CB C 13 32.105 0.40 . 1 . . . A 20 LYS CB . 19710 1 216 . 1 1 20 20 LYS CE C 13 42.170 0.40 . 1 . . . A 20 LYS CE . 19710 1 217 . 1 1 20 20 LYS N N 15 117.362 0.40 . 1 . . . A 20 LYS N . 19710 1 218 . 1 1 21 21 GLY H H 1 7.966 0.04 . 1 . . . A 21 GLY H . 19710 1 219 . 1 1 21 21 GLY HA2 H 1 3.985 0.04 . 2 . . . A 21 GLY HA2 . 19710 1 220 . 1 1 21 21 GLY HA3 H 1 3.305 0.04 . 2 . . . A 21 GLY HA3 . 19710 1 221 . 1 1 21 21 GLY C C 13 173.503 0.40 . 1 . . . A 21 GLY C . 19710 1 222 . 1 1 21 21 GLY CA C 13 45.413 0.40 . 1 . . . A 21 GLY CA . 19710 1 223 . 1 1 21 21 GLY N N 15 107.275 0.40 . 1 . . . A 21 GLY N . 19710 1 224 . 1 1 22 22 LYS H H 1 7.457 0.04 . 1 . . . A 22 LYS H . 19710 1 225 . 1 1 22 22 LYS HA H 1 4.380 0.04 . 1 . . . A 22 LYS HA . 19710 1 226 . 1 1 22 22 LYS HB2 H 1 1.986 0.04 . 2 . . . A 22 LYS HB2 . 19710 1 227 . 1 1 22 22 LYS HB3 H 1 1.651 0.04 . 2 . . . A 22 LYS HB3 . 19710 1 228 . 1 1 22 22 LYS HG2 H 1 1.367 0.04 . 2 . . . A 22 LYS HG2 . 19710 1 229 . 1 1 22 22 LYS HG3 H 1 1.192 0.04 . 2 . . . A 22 LYS HG3 . 19710 1 230 . 1 1 22 22 LYS HD2 H 1 1.587 0.04 . 2 . . . A 22 LYS HD2 . 19710 1 231 . 1 1 22 22 LYS HD3 H 1 1.587 0.04 . 2 . . . A 22 LYS HD3 . 19710 1 232 . 1 1 22 22 LYS HE2 H 1 2.935 0.04 . 2 . . . A 22 LYS HE2 . 19710 1 233 . 1 1 22 22 LYS HE3 H 1 2.935 0.04 . 2 . . . A 22 LYS HE3 . 19710 1 234 . 1 1 22 22 LYS C C 13 175.319 0.40 . 1 . . . A 22 LYS C . 19710 1 235 . 1 1 22 22 LYS CA C 13 53.197 0.40 . 1 . . . A 22 LYS CA . 19710 1 236 . 1 1 22 22 LYS CB C 13 33.531 0.40 . 1 . . . A 22 LYS CB . 19710 1 237 . 1 1 22 22 LYS CG C 13 24.566 0.40 . 1 . . . A 22 LYS CG . 19710 1 238 . 1 1 22 22 LYS CD C 13 28.140 0.40 . 1 . . . A 22 LYS CD . 19710 1 239 . 1 1 22 22 LYS CE C 13 42.147 0.40 . 1 . . . A 22 LYS CE . 19710 1 240 . 1 1 22 22 LYS N N 15 119.753 0.40 . 1 . . . A 22 LYS N . 19710 1 241 . 1 1 23 23 TRP H H 1 8.564 0.04 . 1 . . . A 23 TRP H . 19710 1 242 . 1 1 23 23 TRP HA H 1 4.837 0.04 . 1 . . . A 23 TRP HA . 19710 1 243 . 1 1 23 23 TRP HB2 H 1 3.005 0.04 . 2 . . . A 23 TRP HB2 . 19710 1 244 . 1 1 23 23 TRP HB3 H 1 2.554 0.04 . 2 . . . A 23 TRP HB3 . 19710 1 245 . 1 1 23 23 TRP C C 13 176.246 0.40 . 1 . . . A 23 TRP C . 19710 1 246 . 1 1 23 23 TRP CA C 13 57.338 0.40 . 1 . . . A 23 TRP CA . 19710 1 247 . 1 1 23 23 TRP CB C 13 31.142 0.40 . 1 . . . A 23 TRP CB . 19710 1 248 . 1 1 23 23 TRP N N 15 120.227 0.40 . 1 . . . A 23 TRP N . 19710 1 249 . 1 1 24 24 GLU H H 1 9.257 0.04 . 1 . . . A 24 GLU H . 19710 1 250 . 1 1 24 24 GLU HA H 1 4.921 0.04 . 1 . . . A 24 GLU HA . 19710 1 251 . 1 1 24 24 GLU HB2 H 1 1.799 0.04 . 2 . . . A 24 GLU HB2 . 19710 1 252 . 1 1 24 24 GLU HB3 H 1 1.799 0.04 . 2 . . . A 24 GLU HB3 . 19710 1 253 . 1 1 24 24 GLU HG2 H 1 2.071 0.04 . 2 . . . A 24 GLU HG2 . 19710 1 254 . 1 1 24 24 GLU HG3 H 1 2.071 0.04 . 2 . . . A 24 GLU HG3 . 19710 1 255 . 1 1 24 24 GLU C C 13 174.505 0.40 . 1 . . . A 24 GLU C . 19710 1 256 . 1 1 24 24 GLU CA C 13 54.223 0.40 . 1 . . . A 24 GLU CA . 19710 1 257 . 1 1 24 24 GLU CB C 13 33.711 0.40 . 1 . . . A 24 GLU CB . 19710 1 258 . 1 1 24 24 GLU CG C 13 36.192 0.40 . 1 . . . A 24 GLU CG . 19710 1 259 . 1 1 24 24 GLU N N 15 120.044 0.40 . 1 . . . A 24 GLU N . 19710 1 260 . 1 1 25 25 TYR H H 1 9.119 0.04 . 1 . . . A 25 TYR H . 19710 1 261 . 1 1 25 25 TYR HA H 1 5.017 0.04 . 1 . . . A 25 TYR HA . 19710 1 262 . 1 1 25 25 TYR HB2 H 1 2.605 0.04 . 2 . . . A 25 TYR HB2 . 19710 1 263 . 1 1 25 25 TYR HB3 H 1 2.364 0.04 . 2 . . . A 25 TYR HB3 . 19710 1 264 . 1 1 25 25 TYR C C 13 173.068 0.40 . 1 . . . A 25 TYR C . 19710 1 265 . 1 1 25 25 TYR CA C 13 57.173 0.40 . 1 . . . A 25 TYR CA . 19710 1 266 . 1 1 25 25 TYR CB C 13 41.873 0.40 . 1 . . . A 25 TYR CB . 19710 1 267 . 1 1 25 25 TYR N N 15 118.993 0.40 . 1 . . . A 25 TYR N . 19710 1 268 . 1 1 26 26 LEU H H 1 7.788 0.04 . 1 . . . A 26 LEU H . 19710 1 269 . 1 1 26 26 LEU HA H 1 3.632 0.04 . 1 . . . A 26 LEU HA . 19710 1 270 . 1 1 26 26 LEU HB2 H 1 0.718 0.04 . 2 . . . A 26 LEU HB2 . 19710 1 271 . 1 1 26 26 LEU HB3 H 1 0.718 0.04 . 2 . . . A 26 LEU HB3 . 19710 1 272 . 1 1 26 26 LEU HG H 1 0.479 0.04 . 1 . . . A 26 LEU HG . 19710 1 273 . 1 1 26 26 LEU HD11 H 1 0.320 0.04 . 2 . . . A 26 LEU HD11 . 19710 1 274 . 1 1 26 26 LEU HD12 H 1 0.320 0.04 . 2 . . . A 26 LEU HD12 . 19710 1 275 . 1 1 26 26 LEU HD13 H 1 0.320 0.04 . 2 . . . A 26 LEU HD13 . 19710 1 276 . 1 1 26 26 LEU HD21 H 1 -0.683 0.04 . 2 . . . A 26 LEU HD21 . 19710 1 277 . 1 1 26 26 LEU HD22 H 1 -0.683 0.04 . 2 . . . A 26 LEU HD22 . 19710 1 278 . 1 1 26 26 LEU HD23 H 1 -0.683 0.04 . 2 . . . A 26 LEU HD23 . 19710 1 279 . 1 1 26 26 LEU C C 13 173.813 0.40 . 1 . . . A 26 LEU C . 19710 1 280 . 1 1 26 26 LEU CA C 13 53.371 0.40 . 1 . . . A 26 LEU CA . 19710 1 281 . 1 1 26 26 LEU CB C 13 39.946 0.40 . 1 . . . A 26 LEU CB . 19710 1 282 . 1 1 26 26 LEU CG C 13 25.709 0.40 . 1 . . . A 26 LEU CG . 19710 1 283 . 1 1 26 26 LEU CD1 C 13 25.709 0.40 . 2 . . . A 26 LEU CD1 . 19710 1 284 . 1 1 26 26 LEU CD2 C 13 20.254 0.40 . 2 . . . A 26 LEU CD2 . 19710 1 285 . 1 1 26 26 LEU N N 15 128.028 0.40 . 1 . . . A 26 LEU N . 19710 1 286 . 1 1 27 27 ILE H H 1 8.752 0.04 . 1 . . . A 27 ILE H . 19710 1 287 . 1 1 27 27 ILE HA H 1 3.604 0.04 . 1 . . . A 27 ILE HA . 19710 1 288 . 1 1 27 27 ILE HB H 1 1.320 0.04 . 1 . . . A 27 ILE HB . 19710 1 289 . 1 1 27 27 ILE HG12 H 1 1.364 0.04 . 2 . . . A 27 ILE HG12 . 19710 1 290 . 1 1 27 27 ILE HG13 H 1 0.650 0.04 . 2 . . . A 27 ILE HG13 . 19710 1 291 . 1 1 27 27 ILE HD11 H 1 0.215 0.04 . 1 . . . A 27 ILE HD11 . 19710 1 292 . 1 1 27 27 ILE HD12 H 1 0.215 0.04 . 1 . . . A 27 ILE HD12 . 19710 1 293 . 1 1 27 27 ILE HD13 H 1 0.215 0.04 . 1 . . . A 27 ILE HD13 . 19710 1 294 . 1 1 27 27 ILE C C 13 173.398 0.40 . 1 . . . A 27 ILE C . 19710 1 295 . 1 1 27 27 ILE CA C 13 58.760 0.40 . 1 . . . A 27 ILE CA . 19710 1 296 . 1 1 27 27 ILE CB C 13 38.186 0.40 . 1 . . . A 27 ILE CB . 19710 1 297 . 1 1 27 27 ILE CG1 C 13 26.936 0.40 . 1 . . . A 27 ILE CG1 . 19710 1 298 . 1 1 27 27 ILE CD1 C 13 11.718 0.40 . 1 . . . A 27 ILE CD1 . 19710 1 299 . 1 1 27 27 ILE N N 15 130.050 0.40 . 1 . . . A 27 ILE N . 19710 1 300 . 1 1 28 28 ARG H H 1 7.453 0.04 . 1 . . . A 28 ARG H . 19710 1 301 . 1 1 28 28 ARG HA H 1 4.474 0.04 . 1 . . . A 28 ARG HA . 19710 1 302 . 1 1 28 28 ARG HB2 H 1 1.522 0.04 . 2 . . . A 28 ARG HB2 . 19710 1 303 . 1 1 28 28 ARG HB3 H 1 1.171 0.04 . 2 . . . A 28 ARG HB3 . 19710 1 304 . 1 1 28 28 ARG HG2 H 1 1.564 0.04 . 2 . . . A 28 ARG HG2 . 19710 1 305 . 1 1 28 28 ARG HG3 H 1 1.105 0.04 . 2 . . . A 28 ARG HG3 . 19710 1 306 . 1 1 28 28 ARG HD2 H 1 3.208 0.04 . 2 . . . A 28 ARG HD2 . 19710 1 307 . 1 1 28 28 ARG HD3 H 1 3.208 0.04 . 2 . . . A 28 ARG HD3 . 19710 1 308 . 1 1 28 28 ARG C C 13 174.476 0.40 . 1 . . . A 28 ARG C . 19710 1 309 . 1 1 28 28 ARG CA C 13 52.104 0.40 . 1 . . . A 28 ARG CA . 19710 1 310 . 1 1 28 28 ARG CB C 13 29.007 0.40 . 1 . . . A 28 ARG CB . 19710 1 311 . 1 1 28 28 ARG CG C 13 23.948 0.40 . 1 . . . A 28 ARG CG . 19710 1 312 . 1 1 28 28 ARG CD C 13 39.773 0.40 . 1 . . . A 28 ARG CD . 19710 1 313 . 1 1 28 28 ARG N N 15 123.071 0.40 . 1 . . . A 28 ARG N . 19710 1 314 . 1 1 29 29 TRP H H 1 9.197 0.04 . 1 . . . A 29 TRP H . 19710 1 315 . 1 1 29 29 TRP HA H 1 4.731 0.04 . 1 . . . A 29 TRP HA . 19710 1 316 . 1 1 29 29 TRP HB2 H 1 3.225 0.04 . 2 . . . A 29 TRP HB2 . 19710 1 317 . 1 1 29 29 TRP HB3 H 1 2.895 0.04 . 2 . . . A 29 TRP HB3 . 19710 1 318 . 1 1 29 29 TRP C C 13 176.623 0.40 . 1 . . . A 29 TRP C . 19710 1 319 . 1 1 29 29 TRP CA C 13 55.653 0.40 . 1 . . . A 29 TRP CA . 19710 1 320 . 1 1 29 29 TRP CB C 13 31.065 0.40 . 1 . . . A 29 TRP CB . 19710 1 321 . 1 1 29 29 TRP N N 15 132.787 0.40 . 1 . . . A 29 TRP N . 19710 1 322 . 1 1 30 30 LYS H H 1 9.134 0.04 . 1 . . . A 30 LYS H . 19710 1 323 . 1 1 30 30 LYS HA H 1 4.212 0.04 . 1 . . . A 30 LYS HA . 19710 1 324 . 1 1 30 30 LYS HB2 H 1 1.789 0.04 . 2 . . . A 30 LYS HB2 . 19710 1 325 . 1 1 30 30 LYS HB3 H 1 1.574 0.04 . 2 . . . A 30 LYS HB3 . 19710 1 326 . 1 1 30 30 LYS HG2 H 1 1.288 0.04 . 2 . . . A 30 LYS HG2 . 19710 1 327 . 1 1 30 30 LYS HG3 H 1 1.288 0.04 . 2 . . . A 30 LYS HG3 . 19710 1 328 . 1 1 30 30 LYS C C 13 177.688 0.40 . 1 . . . A 30 LYS C . 19710 1 329 . 1 1 30 30 LYS CA C 13 58.203 0.40 . 1 . . . A 30 LYS CA . 19710 1 330 . 1 1 30 30 LYS CB C 13 33.152 0.40 . 1 . . . A 30 LYS CB . 19710 1 331 . 1 1 30 30 LYS CG C 13 25.038 0.40 . 1 . . . A 30 LYS CG . 19710 1 332 . 1 1 30 30 LYS N N 15 122.843 0.40 . 1 . . . A 30 LYS N . 19710 1 333 . 1 1 31 31 GLY H H 1 8.646 0.04 . 1 . . . A 31 GLY H . 19710 1 334 . 1 1 31 31 GLY HA2 H 1 3.926 0.04 . 2 . . . A 31 GLY HA2 . 19710 1 335 . 1 1 31 31 GLY HA3 H 1 3.507 0.04 . 2 . . . A 31 GLY HA3 . 19710 1 336 . 1 1 31 31 GLY C C 13 173.562 0.40 . 1 . . . A 31 GLY C . 19710 1 337 . 1 1 31 31 GLY CA C 13 44.973 0.40 . 1 . . . A 31 GLY CA . 19710 1 338 . 1 1 31 31 GLY N N 15 113.057 0.40 . 1 . . . A 31 GLY N . 19710 1 339 . 1 1 32 32 TYR H H 1 8.119 0.04 . 1 . . . A 32 TYR H . 19710 1 340 . 1 1 32 32 TYR HA H 1 4.620 0.04 . 1 . . . A 32 TYR HA . 19710 1 341 . 1 1 32 32 TYR HB2 H 1 3.257 0.04 . 2 . . . A 32 TYR HB2 . 19710 1 342 . 1 1 32 32 TYR HB3 H 1 2.859 0.04 . 2 . . . A 32 TYR HB3 . 19710 1 343 . 1 1 32 32 TYR C C 13 175.254 0.40 . 1 . . . A 32 TYR C . 19710 1 344 . 1 1 32 32 TYR CA C 13 57.742 0.40 . 1 . . . A 32 TYR CA . 19710 1 345 . 1 1 32 32 TYR CB C 13 40.377 0.40 . 1 . . . A 32 TYR CB . 19710 1 346 . 1 1 32 32 TYR N N 15 119.993 0.40 . 1 . . . A 32 TYR N . 19710 1 347 . 1 1 33 33 GLY H H 1 8.510 0.04 . 1 . . . A 33 GLY H . 19710 1 348 . 1 1 33 33 GLY HA2 H 1 4.327 0.04 . 2 . . . A 33 GLY HA2 . 19710 1 349 . 1 1 33 33 GLY HA3 H 1 3.894 0.04 . 2 . . . A 33 GLY HA3 . 19710 1 350 . 1 1 33 33 GLY CA C 13 44.052 0.40 . 1 . . . A 33 GLY CA . 19710 1 351 . 1 1 33 33 GLY N N 15 106.930 0.40 . 1 . . . A 33 GLY N . 19710 1 352 . 1 1 34 34 SER HA H 1 4.437 0.04 . 1 . . . A 34 SER HA . 19710 1 353 . 1 1 34 34 SER HB2 H 1 3.897 0.04 . 2 . . . A 34 SER HB2 . 19710 1 354 . 1 1 34 34 SER HB3 H 1 3.768 0.04 . 2 . . . A 34 SER HB3 . 19710 1 355 . 1 1 34 34 SER C C 13 176.594 0.40 . 1 . . . A 34 SER C . 19710 1 356 . 1 1 34 34 SER CA C 13 60.033 0.40 . 1 . . . A 34 SER CA . 19710 1 357 . 1 1 34 34 SER CB C 13 63.310 0.40 . 1 . . . A 34 SER CB . 19710 1 358 . 1 1 35 35 THR H H 1 7.788 0.04 . 1 . . . A 35 THR H . 19710 1 359 . 1 1 35 35 THR HA H 1 4.117 0.04 . 1 . . . A 35 THR HA . 19710 1 360 . 1 1 35 35 THR HB H 1 4.243 0.04 . 1 . . . A 35 THR HB . 19710 1 361 . 1 1 35 35 THR HG21 H 1 1.188 0.04 . 1 . . . A 35 THR HG21 . 19710 1 362 . 1 1 35 35 THR HG22 H 1 1.188 0.04 . 1 . . . A 35 THR HG22 . 19710 1 363 . 1 1 35 35 THR HG23 H 1 1.188 0.04 . 1 . . . A 35 THR HG23 . 19710 1 364 . 1 1 35 35 THR C C 13 175.474 0.40 . 1 . . . A 35 THR C . 19710 1 365 . 1 1 35 35 THR CA C 13 63.751 0.40 . 1 . . . A 35 THR CA . 19710 1 366 . 1 1 35 35 THR CB C 13 68.542 0.40 . 1 . . . A 35 THR CB . 19710 1 367 . 1 1 35 35 THR CG2 C 13 22.106 0.40 . 1 . . . A 35 THR CG2 . 19710 1 368 . 1 1 35 35 THR N N 15 113.722 0.40 . 1 . . . A 35 THR N . 19710 1 369 . 1 1 36 36 GLU H H 1 7.825 0.04 . 1 . . . A 36 GLU H . 19710 1 370 . 1 1 36 36 GLU HA H 1 4.386 0.04 . 1 . . . A 36 GLU HA . 19710 1 371 . 1 1 36 36 GLU HB2 H 1 2.145 0.04 . 2 . . . A 36 GLU HB2 . 19710 1 372 . 1 1 36 36 GLU HB3 H 1 2.217 0.04 . 2 . . . A 36 GLU HB3 . 19710 1 373 . 1 1 36 36 GLU HG2 H 1 2.199 0.04 . 2 . . . A 36 GLU HG2 . 19710 1 374 . 1 1 36 36 GLU HG3 H 1 2.165 0.04 . 2 . . . A 36 GLU HG3 . 19710 1 375 . 1 1 36 36 GLU C C 13 175.013 0.40 . 1 . . . A 36 GLU C . 19710 1 376 . 1 1 36 36 GLU CA C 13 55.865 0.40 . 1 . . . A 36 GLU CA . 19710 1 377 . 1 1 36 36 GLU CB C 13 29.794 0.40 . 1 . . . A 36 GLU CB . 19710 1 378 . 1 1 36 36 GLU CG C 13 37.162 0.40 . 1 . . . A 36 GLU CG . 19710 1 379 . 1 1 36 36 GLU N N 15 120.073 0.40 . 1 . . . A 36 GLU N . 19710 1 380 . 1 1 37 37 ASP H H 1 7.386 0.04 . 1 . . . A 37 ASP H . 19710 1 381 . 1 1 37 37 ASP HA H 1 5.075 0.04 . 1 . . . A 37 ASP HA . 19710 1 382 . 1 1 37 37 ASP HB2 H 1 2.269 0.04 . 2 . . . A 37 ASP HB2 . 19710 1 383 . 1 1 37 37 ASP HB3 H 1 2.067 0.04 . 2 . . . A 37 ASP HB3 . 19710 1 384 . 1 1 37 37 ASP C C 13 178.071 0.40 . 1 . . . A 37 ASP C . 19710 1 385 . 1 1 37 37 ASP CA C 13 55.606 0.40 . 1 . . . A 37 ASP CA . 19710 1 386 . 1 1 37 37 ASP CB C 13 39.712 0.40 . 1 . . . A 37 ASP CB . 19710 1 387 . 1 1 37 37 ASP N N 15 121.647 0.40 . 1 . . . A 37 ASP N . 19710 1 388 . 1 1 38 38 THR H H 1 7.821 0.04 . 1 . . . A 38 THR H . 19710 1 389 . 1 1 38 38 THR HA H 1 4.675 0.04 . 1 . . . A 38 THR HA . 19710 1 390 . 1 1 38 38 THR HB H 1 4.275 0.04 . 1 . . . A 38 THR HB . 19710 1 391 . 1 1 38 38 THR HG21 H 1 1.262 0.04 . 1 . . . A 38 THR HG21 . 19710 1 392 . 1 1 38 38 THR HG22 H 1 1.262 0.04 . 1 . . . A 38 THR HG22 . 19710 1 393 . 1 1 38 38 THR HG23 H 1 1.262 0.04 . 1 . . . A 38 THR HG23 . 19710 1 394 . 1 1 38 38 THR C C 13 173.399 0.40 . 1 . . . A 38 THR C . 19710 1 395 . 1 1 38 38 THR CA C 13 59.483 0.40 . 1 . . . A 38 THR CA . 19710 1 396 . 1 1 38 38 THR CB C 13 71.810 0.40 . 1 . . . A 38 THR CB . 19710 1 397 . 1 1 38 38 THR CG2 C 13 23.279 0.40 . 1 . . . A 38 THR CG2 . 19710 1 398 . 1 1 38 38 THR N N 15 111.963 0.40 . 1 . . . A 38 THR N . 19710 1 399 . 1 1 39 39 TRP H H 1 8.546 0.04 . 1 . . . A 39 TRP H . 19710 1 400 . 1 1 39 39 TRP HA H 1 4.835 0.04 . 1 . . . A 39 TRP HA . 19710 1 401 . 1 1 39 39 TRP HB2 H 1 2.928 0.04 . 2 . . . A 39 TRP HB2 . 19710 1 402 . 1 1 39 39 TRP HB3 H 1 2.707 0.04 . 2 . . . A 39 TRP HB3 . 19710 1 403 . 1 1 39 39 TRP C C 13 177.090 0.40 . 1 . . . A 39 TRP C . 19710 1 404 . 1 1 39 39 TRP CA C 13 56.443 0.40 . 1 . . . A 39 TRP CA . 19710 1 405 . 1 1 39 39 TRP CB C 13 29.574 0.40 . 1 . . . A 39 TRP CB . 19710 1 406 . 1 1 39 39 TRP N N 15 123.340 0.40 . 1 . . . A 39 TRP N . 19710 1 407 . 1 1 40 40 GLU H H 1 9.710 0.04 . 1 . . . A 40 GLU H . 19710 1 408 . 1 1 40 40 GLU HA H 1 5.196 0.04 . 1 . . . A 40 GLU HA . 19710 1 409 . 1 1 40 40 GLU HB2 H 1 2.096 0.04 . 2 . . . A 40 GLU HB2 . 19710 1 410 . 1 1 40 40 GLU HB3 H 1 1.722 0.04 . 2 . . . A 40 GLU HB3 . 19710 1 411 . 1 1 40 40 GLU HG2 H 1 2.401 0.04 . 2 . . . A 40 GLU HG2 . 19710 1 412 . 1 1 40 40 GLU HG3 H 1 2.308 0.04 . 2 . . . A 40 GLU HG3 . 19710 1 413 . 1 1 40 40 GLU CA C 13 51.859 0.40 . 1 . . . A 40 GLU CA . 19710 1 414 . 1 1 40 40 GLU CB C 13 31.934 0.40 . 1 . . . A 40 GLU CB . 19710 1 415 . 1 1 40 40 GLU CG C 13 35.203 0.40 . 1 . . . A 40 GLU CG . 19710 1 416 . 1 1 40 40 GLU N N 15 124.822 0.40 . 1 . . . A 40 GLU N . 19710 1 417 . 1 1 41 41 PRO HA H 1 4.783 0.04 . 1 . . . A 41 PRO HA . 19710 1 418 . 1 1 41 41 PRO HB2 H 1 2.331 0.04 . 2 . . . A 41 PRO HB2 . 19710 1 419 . 1 1 41 41 PRO HB3 H 1 1.750 0.04 . 2 . . . A 41 PRO HB3 . 19710 1 420 . 1 1 41 41 PRO HG2 H 1 1.691 0.04 . 2 . . . A 41 PRO HG2 . 19710 1 421 . 1 1 41 41 PRO HG3 H 1 1.012 0.04 . 2 . . . A 41 PRO HG3 . 19710 1 422 . 1 1 41 41 PRO HD2 H 1 3.708 0.04 . 2 . . . A 41 PRO HD2 . 19710 1 423 . 1 1 41 41 PRO HD3 H 1 3.563 0.04 . 2 . . . A 41 PRO HD3 . 19710 1 424 . 1 1 41 41 PRO C C 13 178.201 0.40 . 1 . . . A 41 PRO C . 19710 1 425 . 1 1 41 41 PRO CA C 13 62.030 0.40 . 1 . . . A 41 PRO CA . 19710 1 426 . 1 1 41 41 PRO CB C 13 32.833 0.40 . 1 . . . A 41 PRO CB . 19710 1 427 . 1 1 41 41 PRO CG C 13 26.358 0.40 . 1 . . . A 41 PRO CG . 19710 1 428 . 1 1 41 41 PRO CD C 13 50.379 0.40 . 1 . . . A 41 PRO CD . 19710 1 429 . 1 1 42 42 GLU H H 1 8.531 0.04 . 1 . . . A 42 GLU H . 19710 1 430 . 1 1 42 42 GLU HA H 1 3.984 0.04 . 1 . . . A 42 GLU HA . 19710 1 431 . 1 1 42 42 GLU HB2 H 1 2.398 0.04 . 2 . . . A 42 GLU HB2 . 19710 1 432 . 1 1 42 42 GLU HB3 H 1 2.467 0.04 . 2 . . . A 42 GLU HB3 . 19710 1 433 . 1 1 42 42 GLU HG2 H 1 2.530 0.04 . 2 . . . A 42 GLU HG2 . 19710 1 434 . 1 1 42 42 GLU HG3 H 1 2.417 0.04 . 2 . . . A 42 GLU HG3 . 19710 1 435 . 1 1 42 42 GLU C C 13 177.841 0.40 . 1 . . . A 42 GLU C . 19710 1 436 . 1 1 42 42 GLU CA C 13 60.156 0.40 . 1 . . . A 42 GLU CA . 19710 1 437 . 1 1 42 42 GLU CB C 13 30.554 0.40 . 1 . . . A 42 GLU CB . 19710 1 438 . 1 1 42 42 GLU CG C 13 36.497 0.40 . 1 . . . A 42 GLU CG . 19710 1 439 . 1 1 42 42 GLU N N 15 118.959 0.40 . 1 . . . A 42 GLU N . 19710 1 440 . 1 1 43 43 HIS H H 1 7.998 0.04 . 1 . . . A 43 HIS H . 19710 1 441 . 1 1 43 43 HIS HA H 1 4.592 0.04 . 1 . . . A 43 HIS HA . 19710 1 442 . 1 1 43 43 HIS HB2 H 1 3.400 0.04 . 2 . . . A 43 HIS HB2 . 19710 1 443 . 1 1 43 43 HIS HB3 H 1 3.065 0.04 . 2 . . . A 43 HIS HB3 . 19710 1 444 . 1 1 43 43 HIS C C 13 176.547 0.40 . 1 . . . A 43 HIS C . 19710 1 445 . 1 1 43 43 HIS CA C 13 58.187 0.40 . 1 . . . A 43 HIS CA . 19710 1 446 . 1 1 43 43 HIS CB C 13 29.362 0.40 . 1 . . . A 43 HIS CB . 19710 1 447 . 1 1 43 43 HIS N N 15 113.679 0.40 . 1 . . . A 43 HIS N . 19710 1 448 . 1 1 44 44 HIS H H 1 7.755 0.04 . 1 . . . A 44 HIS H . 19710 1 449 . 1 1 44 44 HIS HA H 1 4.886 0.04 . 1 . . . A 44 HIS HA . 19710 1 450 . 1 1 44 44 HIS HB2 H 1 3.382 0.04 . 2 . . . A 44 HIS HB2 . 19710 1 451 . 1 1 44 44 HIS HB3 H 1 3.084 0.04 . 2 . . . A 44 HIS HB3 . 19710 1 452 . 1 1 44 44 HIS C C 13 175.566 0.40 . 1 . . . A 44 HIS C . 19710 1 453 . 1 1 44 44 HIS CA C 13 55.392 0.40 . 1 . . . A 44 HIS CA . 19710 1 454 . 1 1 44 44 HIS CB C 13 30.049 0.40 . 1 . . . A 44 HIS CB . 19710 1 455 . 1 1 44 44 HIS N N 15 119.428 0.40 . 1 . . . A 44 HIS N . 19710 1 456 . 1 1 45 45 LEU H H 1 7.601 0.04 . 1 . . . A 45 LEU H . 19710 1 457 . 1 1 45 45 LEU HA H 1 4.580 0.04 . 1 . . . A 45 LEU HA . 19710 1 458 . 1 1 45 45 LEU HB2 H 1 1.566 0.04 . 2 . . . A 45 LEU HB2 . 19710 1 459 . 1 1 45 45 LEU HB3 H 1 1.566 0.04 . 2 . . . A 45 LEU HB3 . 19710 1 460 . 1 1 45 45 LEU HG H 1 1.591 0.04 . 1 . . . A 45 LEU HG . 19710 1 461 . 1 1 45 45 LEU HD11 H 1 0.640 0.04 . 2 . . . A 45 LEU HD11 . 19710 1 462 . 1 1 45 45 LEU HD12 H 1 0.640 0.04 . 2 . . . A 45 LEU HD12 . 19710 1 463 . 1 1 45 45 LEU HD13 H 1 0.640 0.04 . 2 . . . A 45 LEU HD13 . 19710 1 464 . 1 1 45 45 LEU HD21 H 1 0.609 0.04 . 2 . . . A 45 LEU HD21 . 19710 1 465 . 1 1 45 45 LEU HD22 H 1 0.609 0.04 . 2 . . . A 45 LEU HD22 . 19710 1 466 . 1 1 45 45 LEU HD23 H 1 0.609 0.04 . 2 . . . A 45 LEU HD23 . 19710 1 467 . 1 1 45 45 LEU C C 13 176.926 0.40 . 1 . . . A 45 LEU C . 19710 1 468 . 1 1 45 45 LEU CA C 13 53.930 0.40 . 1 . . . A 45 LEU CA . 19710 1 469 . 1 1 45 45 LEU CB C 13 42.010 0.40 . 1 . . . A 45 LEU CB . 19710 1 470 . 1 1 45 45 LEU CG C 13 27.017 0.40 . 1 . . . A 45 LEU CG . 19710 1 471 . 1 1 45 45 LEU CD1 C 13 26.878 0.40 . 2 . . . A 45 LEU CD1 . 19710 1 472 . 1 1 45 45 LEU CD2 C 13 22.808 0.40 . 2 . . . A 45 LEU CD2 . 19710 1 473 . 1 1 45 45 LEU N N 15 119.789 0.40 . 1 . . . A 45 LEU N . 19710 1 474 . 1 1 46 46 LEU H H 1 7.696 0.04 . 1 . . . A 46 LEU H . 19710 1 475 . 1 1 46 46 LEU HA H 1 4.100 0.04 . 1 . . . A 46 LEU HA . 19710 1 476 . 1 1 46 46 LEU HB2 H 1 1.718 0.04 . 2 . . . A 46 LEU HB2 . 19710 1 477 . 1 1 46 46 LEU HB3 H 1 1.442 0.04 . 2 . . . A 46 LEU HB3 . 19710 1 478 . 1 1 46 46 LEU HD11 H 1 0.938 0.04 . 2 . . . A 46 LEU HD11 . 19710 1 479 . 1 1 46 46 LEU HD12 H 1 0.938 0.04 . 2 . . . A 46 LEU HD12 . 19710 1 480 . 1 1 46 46 LEU HD13 H 1 0.938 0.04 . 2 . . . A 46 LEU HD13 . 19710 1 481 . 1 1 46 46 LEU HD21 H 1 0.851 0.04 . 2 . . . A 46 LEU HD21 . 19710 1 482 . 1 1 46 46 LEU HD22 H 1 0.851 0.04 . 2 . . . A 46 LEU HD22 . 19710 1 483 . 1 1 46 46 LEU HD23 H 1 0.851 0.04 . 2 . . . A 46 LEU HD23 . 19710 1 484 . 1 1 46 46 LEU CA C 13 56.925 0.40 . 1 . . . A 46 LEU CA . 19710 1 485 . 1 1 46 46 LEU CB C 13 41.703 0.40 . 1 . . . A 46 LEU CB . 19710 1 486 . 1 1 46 46 LEU CD1 C 13 24.934 0.40 . 2 . . . A 46 LEU CD1 . 19710 1 487 . 1 1 46 46 LEU CD2 C 13 23.332 0.40 . 2 . . . A 46 LEU CD2 . 19710 1 488 . 1 1 46 46 LEU N N 15 121.462 0.40 . 1 . . . A 46 LEU N . 19710 1 489 . 1 1 47 47 HIS HA H 1 4.742 0.04 . 1 . . . A 47 HIS HA . 19710 1 490 . 1 1 47 47 HIS HB2 H 1 3.308 0.04 . 2 . . . A 47 HIS HB2 . 19710 1 491 . 1 1 47 47 HIS HB3 H 1 3.117 0.04 . 2 . . . A 47 HIS HB3 . 19710 1 492 . 1 1 47 47 HIS C C 13 175.940 0.40 . 1 . . . A 47 HIS C . 19710 1 493 . 1 1 47 47 HIS CA C 13 56.483 0.40 . 1 . . . A 47 HIS CA . 19710 1 494 . 1 1 47 47 HIS CB C 13 29.209 0.40 . 1 . . . A 47 HIS CB . 19710 1 495 . 1 1 48 48 CYS H H 1 7.823 0.04 . 1 . . . A 48 CYS H . 19710 1 496 . 1 1 48 48 CYS HA H 1 4.902 0.04 . 1 . . . A 48 CYS HA . 19710 1 497 . 1 1 48 48 CYS HB2 H 1 2.733 0.04 . 2 . . . A 48 CYS HB2 . 19710 1 498 . 1 1 48 48 CYS HB3 H 1 2.733 0.04 . 2 . . . A 48 CYS HB3 . 19710 1 499 . 1 1 48 48 CYS C C 13 174.988 0.40 . 1 . . . A 48 CYS C . 19710 1 500 . 1 1 48 48 CYS CA C 13 57.439 0.40 . 1 . . . A 48 CYS CA . 19710 1 501 . 1 1 48 48 CYS CB C 13 28.038 0.40 . 1 . . . A 48 CYS CB . 19710 1 502 . 1 1 48 48 CYS N N 15 118.214 0.40 . 1 . . . A 48 CYS N . 19710 1 503 . 1 1 49 49 GLU H H 1 8.524 0.04 . 1 . . . A 49 GLU H . 19710 1 504 . 1 1 49 49 GLU HA H 1 3.718 0.04 . 1 . . . A 49 GLU HA . 19710 1 505 . 1 1 49 49 GLU HB2 H 1 1.993 0.04 . 2 . . . A 49 GLU HB2 . 19710 1 506 . 1 1 49 49 GLU HB3 H 1 1.993 0.04 . 2 . . . A 49 GLU HB3 . 19710 1 507 . 1 1 49 49 GLU HG2 H 1 2.289 0.04 . 2 . . . A 49 GLU HG2 . 19710 1 508 . 1 1 49 49 GLU HG3 H 1 2.289 0.04 . 2 . . . A 49 GLU HG3 . 19710 1 509 . 1 1 49 49 GLU C C 13 177.607 0.40 . 1 . . . A 49 GLU C . 19710 1 510 . 1 1 49 49 GLU CA C 13 60.496 0.40 . 1 . . . A 49 GLU CA . 19710 1 511 . 1 1 49 49 GLU CB C 13 29.391 0.40 . 1 . . . A 49 GLU CB . 19710 1 512 . 1 1 49 49 GLU CG C 13 36.723 0.40 . 1 . . . A 49 GLU CG . 19710 1 513 . 1 1 49 49 GLU N N 15 122.478 0.40 . 1 . . . A 49 GLU N . 19710 1 514 . 1 1 50 50 GLU H H 1 9.192 0.04 . 1 . . . A 50 GLU H . 19710 1 515 . 1 1 50 50 GLU HA H 1 4.035 0.04 . 1 . . . A 50 GLU HA . 19710 1 516 . 1 1 50 50 GLU HB2 H 1 1.710 0.04 . 2 . . . A 50 GLU HB2 . 19710 1 517 . 1 1 50 50 GLU HB3 H 1 1.710 0.04 . 2 . . . A 50 GLU HB3 . 19710 1 518 . 1 1 50 50 GLU HG2 H 1 1.966 0.04 . 2 . . . A 50 GLU HG2 . 19710 1 519 . 1 1 50 50 GLU HG3 H 1 1.876 0.04 . 2 . . . A 50 GLU HG3 . 19710 1 520 . 1 1 50 50 GLU C C 13 178.942 0.40 . 1 . . . A 50 GLU C . 19710 1 521 . 1 1 50 50 GLU CA C 13 59.341 0.40 . 1 . . . A 50 GLU CA . 19710 1 522 . 1 1 50 50 GLU CB C 13 28.492 0.40 . 1 . . . A 50 GLU CB . 19710 1 523 . 1 1 50 50 GLU CG C 13 35.890 0.40 . 1 . . . A 50 GLU CG . 19710 1 524 . 1 1 50 50 GLU N N 15 118.424 0.40 . 1 . . . A 50 GLU N . 19710 1 525 . 1 1 51 51 PHE H H 1 7.350 0.04 . 1 . . . A 51 PHE H . 19710 1 526 . 1 1 51 51 PHE HA H 1 4.345 0.04 . 1 . . . A 51 PHE HA . 19710 1 527 . 1 1 51 51 PHE HB2 H 1 3.007 0.04 . 2 . . . A 51 PHE HB2 . 19710 1 528 . 1 1 51 51 PHE HB3 H 1 2.772 0.04 . 2 . . . A 51 PHE HB3 . 19710 1 529 . 1 1 51 51 PHE C C 13 179.013 0.40 . 1 . . . A 51 PHE C . 19710 1 530 . 1 1 51 51 PHE CA C 13 59.916 0.40 . 1 . . . A 51 PHE CA . 19710 1 531 . 1 1 51 51 PHE CB C 13 38.425 0.40 . 1 . . . A 51 PHE CB . 19710 1 532 . 1 1 51 51 PHE N N 15 117.631 0.40 . 1 . . . A 51 PHE N . 19710 1 533 . 1 1 52 52 ILE H H 1 7.625 0.04 . 1 . . . A 52 ILE H . 19710 1 534 . 1 1 52 52 ILE HA H 1 3.260 0.04 . 1 . . . A 52 ILE HA . 19710 1 535 . 1 1 52 52 ILE HB H 1 1.746 0.04 . 1 . . . A 52 ILE HB . 19710 1 536 . 1 1 52 52 ILE HG12 H 1 1.142 0.04 . 2 . . . A 52 ILE HG12 . 19710 1 537 . 1 1 52 52 ILE HG13 H 1 -0.030 0.04 . 2 . . . A 52 ILE HG13 . 19710 1 538 . 1 1 52 52 ILE HG21 H 1 0.675 0.04 . 1 . . . A 52 ILE HG21 . 19710 1 539 . 1 1 52 52 ILE HG22 H 1 0.675 0.04 . 1 . . . A 52 ILE HG22 . 19710 1 540 . 1 1 52 52 ILE HG23 H 1 0.675 0.04 . 1 . . . A 52 ILE HG23 . 19710 1 541 . 1 1 52 52 ILE HD11 H 1 0.491 0.04 . 1 . . . A 52 ILE HD11 . 19710 1 542 . 1 1 52 52 ILE HD12 H 1 0.491 0.04 . 1 . . . A 52 ILE HD12 . 19710 1 543 . 1 1 52 52 ILE HD13 H 1 0.491 0.04 . 1 . . . A 52 ILE HD13 . 19710 1 544 . 1 1 52 52 ILE C C 13 177.036 0.40 . 1 . . . A 52 ILE C . 19710 1 545 . 1 1 52 52 ILE CA C 13 65.356 0.40 . 1 . . . A 52 ILE CA . 19710 1 546 . 1 1 52 52 ILE CB C 13 38.172 0.40 . 1 . . . A 52 ILE CB . 19710 1 547 . 1 1 52 52 ILE CG1 C 13 28.626 0.40 . 1 . . . A 52 ILE CG1 . 19710 1 548 . 1 1 52 52 ILE CG2 C 13 17.286 0.40 . 1 . . . A 52 ILE CG2 . 19710 1 549 . 1 1 52 52 ILE CD1 C 13 13.424 0.40 . 1 . . . A 52 ILE CD1 . 19710 1 550 . 1 1 52 52 ILE N N 15 123.512 0.40 . 1 . . . A 52 ILE N . 19710 1 551 . 1 1 53 53 ASP H H 1 8.144 0.04 . 1 . . . A 53 ASP H . 19710 1 552 . 1 1 53 53 ASP HA H 1 4.302 0.04 . 1 . . . A 53 ASP HA . 19710 1 553 . 1 1 53 53 ASP HB2 H 1 2.593 0.04 . 2 . . . A 53 ASP HB2 . 19710 1 554 . 1 1 53 53 ASP HB3 H 1 2.524 0.04 . 2 . . . A 53 ASP HB3 . 19710 1 555 . 1 1 53 53 ASP C C 13 179.243 0.40 . 1 . . . A 53 ASP C . 19710 1 556 . 1 1 53 53 ASP CA C 13 57.343 0.40 . 1 . . . A 53 ASP CA . 19710 1 557 . 1 1 53 53 ASP CB C 13 40.085 0.40 . 1 . . . A 53 ASP CB . 19710 1 558 . 1 1 53 53 ASP N N 15 120.257 0.40 . 1 . . . A 53 ASP N . 19710 1 559 . 1 1 54 54 GLU H H 1 7.875 0.04 . 1 . . . A 54 GLU H . 19710 1 560 . 1 1 54 54 GLU HA H 1 3.944 0.04 . 1 . . . A 54 GLU HA . 19710 1 561 . 1 1 54 54 GLU HB2 H 1 2.059 0.04 . 2 . . . A 54 GLU HB2 . 19710 1 562 . 1 1 54 54 GLU HB3 H 1 2.059 0.04 . 2 . . . A 54 GLU HB3 . 19710 1 563 . 1 1 54 54 GLU HG2 H 1 2.240 0.04 . 2 . . . A 54 GLU HG2 . 19710 1 564 . 1 1 54 54 GLU HG3 H 1 2.127 0.04 . 2 . . . A 54 GLU HG3 . 19710 1 565 . 1 1 54 54 GLU C C 13 178.652 0.40 . 1 . . . A 54 GLU C . 19710 1 566 . 1 1 54 54 GLU CA C 13 59.071 0.40 . 1 . . . A 54 GLU CA . 19710 1 567 . 1 1 54 54 GLU CB C 13 29.765 0.40 . 1 . . . A 54 GLU CB . 19710 1 568 . 1 1 54 54 GLU CG C 13 36.216 0.40 . 1 . . . A 54 GLU CG . 19710 1 569 . 1 1 54 54 GLU N N 15 119.707 0.40 . 1 . . . A 54 GLU N . 19710 1 570 . 1 1 55 55 PHE H H 1 7.784 0.04 . 1 . . . A 55 PHE H . 19710 1 571 . 1 1 55 55 PHE HA H 1 4.138 0.04 . 1 . . . A 55 PHE HA . 19710 1 572 . 1 1 55 55 PHE HB2 H 1 3.129 0.04 . 2 . . . A 55 PHE HB2 . 19710 1 573 . 1 1 55 55 PHE HB3 H 1 2.985 0.04 . 2 . . . A 55 PHE HB3 . 19710 1 574 . 1 1 55 55 PHE C C 13 177.460 0.40 . 1 . . . A 55 PHE C . 19710 1 575 . 1 1 55 55 PHE CA C 13 61.425 0.40 . 1 . . . A 55 PHE CA . 19710 1 576 . 1 1 55 55 PHE CB C 13 39.347 0.40 . 1 . . . A 55 PHE CB . 19710 1 577 . 1 1 55 55 PHE N N 15 120.573 0.40 . 1 . . . A 55 PHE N . 19710 1 578 . 1 1 56 56 ASN H H 1 8.563 0.04 . 1 . . . A 56 ASN H . 19710 1 579 . 1 1 56 56 ASN HA H 1 4.349 0.04 . 1 . . . A 56 ASN HA . 19710 1 580 . 1 1 56 56 ASN HB2 H 1 2.722 0.04 . 2 . . . A 56 ASN HB2 . 19710 1 581 . 1 1 56 56 ASN HB3 H 1 2.722 0.04 . 2 . . . A 56 ASN HB3 . 19710 1 582 . 1 1 56 56 ASN C C 13 177.227 0.40 . 1 . . . A 56 ASN C . 19710 1 583 . 1 1 56 56 ASN CA C 13 54.592 0.40 . 1 . . . A 56 ASN CA . 19710 1 584 . 1 1 56 56 ASN CB C 13 37.947 0.40 . 1 . . . A 56 ASN CB . 19710 1 585 . 1 1 56 56 ASN N N 15 117.284 0.40 . 1 . . . A 56 ASN N . 19710 1 586 . 1 1 57 57 GLY H H 1 7.890 0.04 . 1 . . . A 57 GLY H . 19710 1 587 . 1 1 57 57 GLY HA2 H 1 3.850 0.04 . 2 . . . A 57 GLY HA2 . 19710 1 588 . 1 1 57 57 GLY HA3 H 1 3.808 0.04 . 2 . . . A 57 GLY HA3 . 19710 1 589 . 1 1 57 57 GLY C C 13 174.906 0.40 . 1 . . . A 57 GLY C . 19710 1 590 . 1 1 57 57 GLY CA C 13 46.079 0.40 . 1 . . . A 57 GLY CA . 19710 1 591 . 1 1 57 57 GLY N N 15 107.640 0.40 . 1 . . . A 57 GLY N . 19710 1 592 . 1 1 58 58 LEU H H 1 7.528 0.04 . 1 . . . A 58 LEU H . 19710 1 593 . 1 1 58 58 LEU HA H 1 4.110 0.04 . 1 . . . A 58 LEU HA . 19710 1 594 . 1 1 58 58 LEU HB2 H 1 1.441 0.04 . 2 . . . A 58 LEU HB2 . 19710 1 595 . 1 1 58 58 LEU HB3 H 1 1.254 0.04 . 2 . . . A 58 LEU HB3 . 19710 1 596 . 1 1 58 58 LEU HG H 1 1.493 0.04 . 1 . . . A 58 LEU HG . 19710 1 597 . 1 1 58 58 LEU HD11 H 1 0.784 0.04 . 2 . . . A 58 LEU HD11 . 19710 1 598 . 1 1 58 58 LEU HD12 H 1 0.784 0.04 . 2 . . . A 58 LEU HD12 . 19710 1 599 . 1 1 58 58 LEU HD13 H 1 0.784 0.04 . 2 . . . A 58 LEU HD13 . 19710 1 600 . 1 1 58 58 LEU HD21 H 1 0.723 0.04 . 2 . . . A 58 LEU HD21 . 19710 1 601 . 1 1 58 58 LEU HD22 H 1 0.723 0.04 . 2 . . . A 58 LEU HD22 . 19710 1 602 . 1 1 58 58 LEU HD23 H 1 0.723 0.04 . 2 . . . A 58 LEU HD23 . 19710 1 603 . 1 1 58 58 LEU C C 13 177.607 0.40 . 1 . . . A 58 LEU C . 19710 1 604 . 1 1 58 58 LEU CA C 13 55.836 0.40 . 1 . . . A 58 LEU CA . 19710 1 605 . 1 1 58 58 LEU CB C 13 42.340 0.40 . 1 . . . A 58 LEU CB . 19710 1 606 . 1 1 58 58 LEU CG C 13 26.574 0.40 . 1 . . . A 58 LEU CG . 19710 1 607 . 1 1 58 58 LEU CD1 C 13 24.902 0.40 . 2 . . . A 58 LEU CD1 . 19710 1 608 . 1 1 58 58 LEU CD2 C 13 23.239 0.40 . 2 . . . A 58 LEU CD2 . 19710 1 609 . 1 1 58 58 LEU N N 15 120.735 0.40 . 1 . . . A 58 LEU N . 19710 1 610 . 1 1 59 59 HIS H H 1 7.875 0.04 . 1 . . . A 59 HIS H . 19710 1 611 . 1 1 59 59 HIS HA H 1 4.417 0.04 . 1 . . . A 59 HIS HA . 19710 1 612 . 1 1 59 59 HIS HB2 H 1 2.969 0.04 . 2 . . . A 59 HIS HB2 . 19710 1 613 . 1 1 59 59 HIS HB3 H 1 2.674 0.04 . 2 . . . A 59 HIS HB3 . 19710 1 614 . 1 1 59 59 HIS C C 13 175.499 0.40 . 1 . . . A 59 HIS C . 19710 1 615 . 1 1 59 59 HIS CA C 13 56.604 0.40 . 1 . . . A 59 HIS CA . 19710 1 616 . 1 1 59 59 HIS CB C 13 30.480 0.40 . 1 . . . A 59 HIS CB . 19710 1 617 . 1 1 59 59 HIS N N 15 118.359 0.40 . 1 . . . A 59 HIS N . 19710 1 618 . 1 1 60 60 MET H H 1 7.884 0.04 . 1 . . . A 60 MET H . 19710 1 619 . 1 1 60 60 MET HA H 1 4.365 0.04 . 1 . . . A 60 MET HA . 19710 1 620 . 1 1 60 60 MET HB2 H 1 2.003 0.04 . 2 . . . A 60 MET HB2 . 19710 1 621 . 1 1 60 60 MET HB3 H 1 1.926 0.04 . 2 . . . A 60 MET HB3 . 19710 1 622 . 1 1 60 60 MET HG2 H 1 2.466 0.04 . 2 . . . A 60 MET HG2 . 19710 1 623 . 1 1 60 60 MET HG3 H 1 2.392 0.04 . 2 . . . A 60 MET HG3 . 19710 1 624 . 1 1 60 60 MET CA C 13 55.643 0.40 . 1 . . . A 60 MET CA . 19710 1 625 . 1 1 60 60 MET CB C 13 32.684 0.40 . 1 . . . A 60 MET CB . 19710 1 626 . 1 1 60 60 MET CG C 13 31.838 0.40 . 1 . . . A 60 MET CG . 19710 1 627 . 1 1 60 60 MET N N 15 120.255 0.40 . 1 . . . A 60 MET N . 19710 1 628 . 1 1 62 62 LYS HA H 1 4.301 0.04 . 1 . . . A 62 LYS HA . 19710 1 629 . 1 1 62 62 LYS HB2 H 1 1.818 0.04 . 2 . . . A 62 LYS HB2 . 19710 1 630 . 1 1 62 62 LYS HB3 H 1 1.697 0.04 . 2 . . . A 62 LYS HB3 . 19710 1 631 . 1 1 62 62 LYS HG2 H 1 1.357 0.04 . 2 . . . A 62 LYS HG2 . 19710 1 632 . 1 1 62 62 LYS HG3 H 1 1.357 0.04 . 2 . . . A 62 LYS HG3 . 19710 1 633 . 1 1 62 62 LYS HD2 H 1 1.604 0.04 . 2 . . . A 62 LYS HD2 . 19710 1 634 . 1 1 62 62 LYS HD3 H 1 1.604 0.04 . 2 . . . A 62 LYS HD3 . 19710 1 635 . 1 1 62 62 LYS HE2 H 1 2.944 0.04 . 2 . . . A 62 LYS HE2 . 19710 1 636 . 1 1 62 62 LYS HE3 H 1 2.944 0.04 . 2 . . . A 62 LYS HE3 . 19710 1 637 . 1 1 62 62 LYS C C 13 176.168 0.40 . 1 . . . A 62 LYS C . 19710 1 638 . 1 1 62 62 LYS CA C 13 56.312 0.40 . 1 . . . A 62 LYS CA . 19710 1 639 . 1 1 62 62 LYS CB C 13 32.975 0.40 . 1 . . . A 62 LYS CB . 19710 1 640 . 1 1 62 62 LYS CG C 13 24.595 0.40 . 1 . . . A 62 LYS CG . 19710 1 641 . 1 1 62 62 LYS CD C 13 29.036 0.40 . 1 . . . A 62 LYS CD . 19710 1 642 . 1 1 62 62 LYS CE C 13 42.221 0.40 . 1 . . . A 62 LYS CE . 19710 1 643 . 1 1 63 63 ASP H H 1 8.263 0.04 . 1 . . . A 63 ASP H . 19710 1 644 . 1 1 63 63 ASP HA H 1 4.540 0.04 . 1 . . . A 63 ASP HA . 19710 1 645 . 1 1 63 63 ASP HB2 H 1 2.668 0.04 . 2 . . . A 63 ASP HB2 . 19710 1 646 . 1 1 63 63 ASP HB3 H 1 2.668 0.04 . 2 . . . A 63 ASP HB3 . 19710 1 647 . 1 1 63 63 ASP C C 13 175.024 0.40 . 1 . . . A 63 ASP C . 19710 1 648 . 1 1 63 63 ASP CA C 13 54.569 0.40 . 1 . . . A 63 ASP CA . 19710 1 649 . 1 1 63 63 ASP CB C 13 41.120 0.40 . 1 . . . A 63 ASP CB . 19710 1 650 . 1 1 63 63 ASP N N 15 121.259 0.40 . 1 . . . A 63 ASP N . 19710 1 651 . 1 1 64 64 LYS H H 1 7.721 0.04 . 1 . . . A 64 LYS H . 19710 1 652 . 1 1 64 64 LYS N N 15 125.685 0.40 . 1 . . . A 64 LYS N . 19710 1 stop_ save_