data_4090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4090 _Entry.Title ; Solution NMR Structure of the I gamma Subdomain of the Mu end DNA Binding Domain of Mu Phage Transposase, Minimized Average Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-12-31 _Entry.Accession_date 1997-12-31 _Entry.Last_release_date 2000-04-04 _Entry.Original_release_date 2000-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 G. Clore . M. . 4090 2 R. Clubb . T. . 4090 3 S. Schumaker . . . 4090 4 A. Gronenborn . M. . 4090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 4090 '15N chemical shifts' 74 4090 '1H chemical shifts' 448 4090 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 . . 2000-04-04 1997-12-31 original author . 4090 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4090 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98035037 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the I gamma subdomain of the Mu end DNA-binding domain of phage Mu transposase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 273 _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 19 _Citation.Page_last 25 _Citation.Year 1997 _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 R. Clubb . T. . 4090 1 2 S. Schumacher . . . 4090 1 3 K. Mizuuchi . . . 4090 1 4 A. Gronenborn . M. . 4090 1 5 G. Clore . M. . 4090 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-Binding Protein' 4090 1 Transposition 4090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_transposase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_transposase _Assembly.Entry_ID 4090 _Assembly.ID 1 _Assembly.Name Transposase _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4090 1 stop_ 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 Transposase 1 $Transposase . . . native . . . . . 4090 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2EZH . 'Solution Nmr Structure Of The Igamma Subdomain Of The Mu End Dna Binding Domain Of Mu Phage Transposase, Minimized Average Structure' . . . . 4090 1 yes PDB 2EZI . 'Solution Nmr Structure Of The Igamma Subdomain Of The Mu End Dna Binding Domain Of Mu Phage Transposase, 30 Structures' . . . . 4090 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Transposase abbreviation 4090 1 Transposase system 4090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Transposase _Entity.Sf_category entity _Entity.Sf_framecode Transposase _Entity.Entry_ID 4090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Transposase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNVHKSEFDEDAWQFLIADY LRPEKPAFRKCYERLELAAR EHGWSIPSRATAFRRIQQLD EAMVVACREGEHALM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2EZH . "Solution Nmr Structure Of The Igamma Subdomain Of The Mu End Dna Binding Domain Of Mu Phage Transposase, Minimized Average Stru" . . . . . 100.00 75 100.00 100.00 2.31e-47 . . . . 4090 1 2 no PDB 2EZI . "Solution Nmr Structure Of The Igamma Subdomain Of The Mu End Dna Binding Domain Of Mu Phage Transposase, 30 Structures" . . . . . 100.00 75 100.00 100.00 2.31e-47 . . . . 4090 1 3 no PDB 4FCY . "Crystal Structure Of The Bacteriophage Mu Transpososome" . . . . . 98.67 529 100.00 100.00 2.93e-43 . . . . 4090 1 4 no DBJ BAG78136 . "putative phage transposase [Escherichia coli SE11]" . . . . . 98.67 665 100.00 100.00 4.74e-43 . . . . 4090 1 5 no EMBL CDL02921 . "DNA transposition protein [Escherichia coli IS35]" . . . . . 98.67 663 98.65 100.00 8.52e-43 . . . . 4090 1 6 no EMBL CDP68214 . "DNA transposition protein A [Escherichia coli D6-113.11]" . . . . . 98.67 666 100.00 100.00 4.86e-43 . . . . 4090 1 7 no EMBL CDU35405 . "DNA transposition protein A [Escherichia coli D6-113.11]" . . . . . 98.67 666 100.00 100.00 4.86e-43 . . . . 4090 1 8 no EMBL CDX05968 . "putative transposase,Bacteriophage Mu transposase [Shigella flexneri]" . . . . . 98.67 544 100.00 100.00 2.88e-43 . . . . 4090 1 9 no EMBL CEP55663 . "putative transposase [Shigella flexneri 2a]" . . . . . 98.67 544 100.00 100.00 2.88e-43 . . . . 4090 1 10 no GB AAA32369 . "transposase [Enterobacteria phage Mu]" . . . . . 98.67 663 100.00 100.00 3.56e-43 . . . . 4090 1 11 no GB AAA32379 . "A [Enterobacteria phage Mu]" . . . . . 98.67 663 100.00 100.00 3.38e-43 . . . . 4090 1 12 no GB AAF01083 . "A [Enterobacteria phage Mu]" . . . . . 98.67 663 100.00 100.00 3.56e-43 . . . . 4090 1 13 no GB AAN42297 . "putative phage transposase [Shigella flexneri 2a str. 301]" . . . . . 98.67 484 100.00 100.00 1.46e-43 . . . . 4090 1 14 no GB AAP16168 . "putative phage transposase [Shigella flexneri 2a str. 2457T]" . . . . . 98.67 484 100.00 100.00 1.46e-43 . . . . 4090 1 15 no REF NP_050607 . "transposase [Enterobacteria phage Mu]" . . . . . 98.67 663 100.00 100.00 3.56e-43 . . . . 4090 1 16 no REF NP_706590 . "phage transposase [Shigella flexneri 2a str. 301]" . . . . . 98.67 484 100.00 100.00 1.46e-43 . . . . 4090 1 17 no REF WP_000424754 . "transposase [Escherichia coli]" . . . . . 98.67 663 100.00 100.00 3.56e-43 . . . . 4090 1 18 no REF WP_000424755 . "transposase [Escherichia coli]" . . . . . 98.67 663 100.00 100.00 3.06e-43 . . . . 4090 1 19 no REF WP_000424756 . "transposase [Escherichia coli]" . . . . . 98.67 663 100.00 100.00 3.09e-43 . . . . 4090 1 20 no SP P07636 . "RecName: Full=DDE-recombinase A; AltName: Full=DDE-transposase A; AltName: Full=Gene product 03; Short=gp03; AltName: Full=Gene" . . . . . 98.67 663 100.00 100.00 3.56e-43 . . . . 4090 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Transposase abbreviation 4090 1 Transposase common 4090 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 . MET . 4090 1 2 . ASN . 4090 1 3 . VAL . 4090 1 4 . HIS . 4090 1 5 . LYS . 4090 1 6 . SER . 4090 1 7 . GLU . 4090 1 8 . PHE . 4090 1 9 . ASP . 4090 1 10 . GLU . 4090 1 11 . ASP . 4090 1 12 . ALA . 4090 1 13 . TRP . 4090 1 14 . GLN . 4090 1 15 . PHE . 4090 1 16 . LEU . 4090 1 17 . ILE . 4090 1 18 . ALA . 4090 1 19 . ASP . 4090 1 20 . TYR . 4090 1 21 . LEU . 4090 1 22 . ARG . 4090 1 23 . PRO . 4090 1 24 . GLU . 4090 1 25 . LYS . 4090 1 26 . PRO . 4090 1 27 . ALA . 4090 1 28 . PHE . 4090 1 29 . ARG . 4090 1 30 . LYS . 4090 1 31 . CYS . 4090 1 32 . TYR . 4090 1 33 . GLU . 4090 1 34 . ARG . 4090 1 35 . LEU . 4090 1 36 . GLU . 4090 1 37 . LEU . 4090 1 38 . ALA . 4090 1 39 . ALA . 4090 1 40 . ARG . 4090 1 41 . GLU . 4090 1 42 . HIS . 4090 1 43 . GLY . 4090 1 44 . TRP . 4090 1 45 . SER . 4090 1 46 . ILE . 4090 1 47 . PRO . 4090 1 48 . SER . 4090 1 49 . ARG . 4090 1 50 . ALA . 4090 1 51 . THR . 4090 1 52 . ALA . 4090 1 53 . PHE . 4090 1 54 . ARG . 4090 1 55 . ARG . 4090 1 56 . ILE . 4090 1 57 . GLN . 4090 1 58 . GLN . 4090 1 59 . LEU . 4090 1 60 . ASP . 4090 1 61 . GLU . 4090 1 62 . ALA . 4090 1 63 . MET . 4090 1 64 . VAL . 4090 1 65 . VAL . 4090 1 66 . ALA . 4090 1 67 . CYS . 4090 1 68 . ARG . 4090 1 69 . GLU . 4090 1 70 . GLY . 4090 1 71 . GLU . 4090 1 72 . HIS . 4090 1 73 . ALA . 4090 1 74 . LEU . 4090 1 75 . MET . 4090 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 4090 1 . ASN 2 2 4090 1 . VAL 3 3 4090 1 . HIS 4 4 4090 1 . LYS 5 5 4090 1 . SER 6 6 4090 1 . GLU 7 7 4090 1 . PHE 8 8 4090 1 . ASP 9 9 4090 1 . GLU 10 10 4090 1 . ASP 11 11 4090 1 . ALA 12 12 4090 1 . TRP 13 13 4090 1 . GLN 14 14 4090 1 . PHE 15 15 4090 1 . LEU 16 16 4090 1 . ILE 17 17 4090 1 . ALA 18 18 4090 1 . ASP 19 19 4090 1 . TYR 20 20 4090 1 . LEU 21 21 4090 1 . ARG 22 22 4090 1 . PRO 23 23 4090 1 . GLU 24 24 4090 1 . LYS 25 25 4090 1 . PRO 26 26 4090 1 . ALA 27 27 4090 1 . PHE 28 28 4090 1 . ARG 29 29 4090 1 . LYS 30 30 4090 1 . CYS 31 31 4090 1 . TYR 32 32 4090 1 . GLU 33 33 4090 1 . ARG 34 34 4090 1 . LEU 35 35 4090 1 . GLU 36 36 4090 1 . LEU 37 37 4090 1 . ALA 38 38 4090 1 . ALA 39 39 4090 1 . ARG 40 40 4090 1 . GLU 41 41 4090 1 . HIS 42 42 4090 1 . GLY 43 43 4090 1 . TRP 44 44 4090 1 . SER 45 45 4090 1 . ILE 46 46 4090 1 . PRO 47 47 4090 1 . SER 48 48 4090 1 . ARG 49 49 4090 1 . ALA 50 50 4090 1 . THR 51 51 4090 1 . ALA 52 52 4090 1 . PHE 53 53 4090 1 . ARG 54 54 4090 1 . ARG 55 55 4090 1 . ILE 56 56 4090 1 . GLN 57 57 4090 1 . GLN 58 58 4090 1 . LEU 59 59 4090 1 . ASP 60 60 4090 1 . GLU 61 61 4090 1 . ALA 62 62 4090 1 . MET 63 63 4090 1 . VAL 64 64 4090 1 . VAL 65 65 4090 1 . ALA 66 66 4090 1 . CYS 67 67 4090 1 . ARG 68 68 4090 1 . GLU 69 69 4090 1 . GLY 70 70 4090 1 . GLU 71 71 4090 1 . HIS 72 72 4090 1 . ALA 73 73 4090 1 . LEU 74 74 4090 1 . MET 75 75 4090 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 4090 _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 $Transposase . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4090 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 4090 _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 $Transposase . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4090 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Transposase . . . 1 $Transposase . . . . . mM . . . . 4090 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4090 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 . n/a 4090 1 temperature 303 . K 4090 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4090 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4090 _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 NMR_spectrometer_1 Bruker AMX . 500 . . . 4090 1 2 NMR_spectrometer_2 Bruker AMX . 600 . . . 4090 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 4090 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4090 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4090 _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 . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 4090 1 H 1 . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 4090 1 N 15 . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 4090 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 $sample_1 . 4090 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 ASN HA H 1 4.8200 . . . . . . . . . . . 4090 1 2 . 1 1 2 2 ASN CA C 13 53.2300 . . . . . . . . . . . 4090 1 3 . 1 1 2 2 ASN HB3 H 1 2.7500 . . . . . . . . . . . 4090 1 4 . 1 1 2 2 ASN HB2 H 1 2.8300 . . . . . . . . . . . 4090 1 5 . 1 1 2 2 ASN CB C 13 39.0700 . . . . . . . . . . . 4090 1 6 . 1 1 2 2 ASN ND2 N 15 112.7500 . . . . . . . . . . . 4090 1 7 . 1 1 2 2 ASN HD21 H 1 6.9500 . . . . . . . . . . . 4090 1 8 . 1 1 2 2 ASN HD22 H 1 7.6200 . . . . . . . . . . . 4090 1 9 . 1 1 3 3 VAL H H 1 8.2300 . . . . . . . . . . . 4090 1 10 . 1 1 3 3 VAL N N 15 120.6100 . . . . . . . . . . . 4090 1 11 . 1 1 3 3 VAL HA H 1 4.0800 . . . . . . . . . . . 4090 1 12 . 1 1 3 3 VAL CA C 13 62.3800 . . . . . . . . . . . 4090 1 13 . 1 1 3 3 VAL HB H 1 2.0500 . . . . . . . . . . . 4090 1 14 . 1 1 3 3 VAL CB C 13 32.8300 . . . . . . . . . . . 4090 1 15 . 1 1 3 3 VAL HG11 H 1 0.8400 . . . . . . . . . . . 4090 1 16 . 1 1 3 3 VAL HG12 H 1 0.8400 . . . . . . . . . . . 4090 1 17 . 1 1 3 3 VAL HG13 H 1 0.8400 . . . . . . . . . . . 4090 1 18 . 1 1 3 3 VAL CG1 C 13 20.2900 . . . . . . . . . . . 4090 1 19 . 1 1 3 3 VAL HG21 H 1 0.8400 . . . . . . . . . . . 4090 1 20 . 1 1 3 3 VAL HG22 H 1 0.8400 . . . . . . . . . . . 4090 1 21 . 1 1 3 3 VAL HG23 H 1 0.8400 . . . . . . . . . . . 4090 1 22 . 1 1 3 3 VAL CG2 C 13 21.1600 . . . . . . . . . . . 4090 1 23 . 1 1 4 4 HIS H H 1 8.4800 . . . . . . . . . . . 4090 1 24 . 1 1 4 4 HIS N N 15 122.7000 . . . . . . . . . . . 4090 1 25 . 1 1 4 4 HIS HA H 1 4.6700 . . . . . . . . . . . 4090 1 26 . 1 1 4 4 HIS CA C 13 55.8100 . . . . . . . . . . . 4090 1 27 . 1 1 4 4 HIS HB3 H 1 3.1300 . . . . . . . . . . . 4090 1 28 . 1 1 4 4 HIS HB2 H 1 3.2300 . . . . . . . . . . . 4090 1 29 . 1 1 4 4 HIS CB C 13 30.0200 . . . . . . . . . . . 4090 1 30 . 1 1 5 5 LYS H H 1 8.3000 . . . . . . . . . . . 4090 1 31 . 1 1 5 5 LYS N N 15 123.4600 . . . . . . . . . . . 4090 1 32 . 1 1 5 5 LYS HA H 1 4.3300 . . . . . . . . . . . 4090 1 33 . 1 1 5 5 LYS CA C 13 56.2500 . . . . . . . . . . . 4090 1 34 . 1 1 5 5 LYS HB3 H 1 1.7500 . . . . . . . . . . . 4090 1 35 . 1 1 5 5 LYS HB2 H 1 1.8200 . . . . . . . . . . . 4090 1 36 . 1 1 5 5 LYS CB C 13 33.2900 . . . . . . . . . . . 4090 1 37 . 1 1 5 5 LYS HG3 H 1 1.4000 . . . . . . . . . . . 4090 1 38 . 1 1 5 5 LYS CG C 13 24.6900 . . . . . . . . . . . 4090 1 39 . 1 1 5 5 LYS HD3 H 1 1.6900 . . . . . . . . . . . 4090 1 40 . 1 1 5 5 LYS CD C 13 29.2100 . . . . . . . . . . . 4090 1 41 . 1 1 5 5 LYS HE3 H 1 3.0000 . . . . . . . . . . . 4090 1 42 . 1 1 5 5 LYS CE C 13 42.3300 . . . . . . . . . . . 4090 1 43 . 1 1 6 6 SER H H 1 8.4300 . . . . . . . . . . . 4090 1 44 . 1 1 6 6 SER N N 15 117.1000 . . . . . . . . . . . 4090 1 45 . 1 1 6 6 SER HA H 1 4.4200 . . . . . . . . . . . 4090 1 46 . 1 1 6 6 SER CA C 13 58.3600 . . . . . . . . . . . 4090 1 47 . 1 1 6 6 SER HB3 H 1 3.8200 . . . . . . . . . . . 4090 1 48 . 1 1 6 6 SER HB2 H 1 3.8700 . . . . . . . . . . . 4090 1 49 . 1 1 6 6 SER CB C 13 63.9600 . . . . . . . . . . . 4090 1 50 . 1 1 7 7 GLU H H 1 8.3700 . . . . . . . . . . . 4090 1 51 . 1 1 7 7 GLU N N 15 122.5700 . . . . . . . . . . . 4090 1 52 . 1 1 7 7 GLU HA H 1 4.1700 . . . . . . . . . . . 4090 1 53 . 1 1 7 7 GLU CA C 13 57.0000 . . . . . . . . . . . 4090 1 54 . 1 1 7 7 GLU HB3 H 1 1.8800 . . . . . . . . . . . 4090 1 55 . 1 1 7 7 GLU HB2 H 1 1.9500 . . . . . . . . . . . 4090 1 56 . 1 1 7 7 GLU CB C 13 30.7100 . . . . . . . . . . . 4090 1 57 . 1 1 7 7 GLU HG3 H 1 2.2000 . . . . . . . . . . . 4090 1 58 . 1 1 7 7 GLU CG C 13 36.4900 . . . . . . . . . . . 4090 1 59 . 1 1 8 8 PHE H H 1 8.0800 . . . . . . . . . . . 4090 1 60 . 1 1 8 8 PHE N N 15 118.9000 . . . . . . . . . . . 4090 1 61 . 1 1 8 8 PHE HA H 1 4.8500 . . . . . . . . . . . 4090 1 62 . 1 1 8 8 PHE CA C 13 55.2200 . . . . . . . . . . . 4090 1 63 . 1 1 8 8 PHE HB3 H 1 2.6600 . . . . . . . . . . . 4090 1 64 . 1 1 8 8 PHE HB2 H 1 3.3400 . . . . . . . . . . . 4090 1 65 . 1 1 8 8 PHE CB C 13 39.9200 . . . . . . . . . . . 4090 1 66 . 1 1 8 8 PHE HD1 H 1 7.3400 . . . . . . . . . . . 4090 1 67 . 1 1 8 8 PHE CD1 C 13 131.5500 . . . . . . . . . . . 4090 1 68 . 1 1 9 9 ASP H H 1 8.5500 . . . . . . . . . . . 4090 1 69 . 1 1 9 9 ASP N N 15 124.3500 . . . . . . . . . . . 4090 1 70 . 1 1 9 9 ASP HA H 1 4.6400 . . . . . . . . . . . 4090 1 71 . 1 1 9 9 ASP CA C 13 55.9000 . . . . . . . . . . . 4090 1 72 . 1 1 9 9 ASP HB3 H 1 2.4400 . . . . . . . . . . . 4090 1 73 . 1 1 9 9 ASP HB2 H 1 2.7100 . . . . . . . . . . . 4090 1 74 . 1 1 9 9 ASP CB C 13 41.6200 . . . . . . . . . . . 4090 1 75 . 1 1 10 10 GLU H H 1 9.0500 . . . . . . . . . . . 4090 1 76 . 1 1 10 10 GLU N N 15 126.1000 . . . . . . . . . . . 4090 1 77 . 1 1 10 10 GLU HA H 1 4.1300 . . . . . . . . . . . 4090 1 78 . 1 1 10 10 GLU CA C 13 59.7900 . . . . . . . . . . . 4090 1 79 . 1 1 10 10 GLU HB3 H 1 1.9700 . . . . . . . . . . . 4090 1 80 . 1 1 10 10 GLU HB2 H 1 2.1100 . . . . . . . . . . . 4090 1 81 . 1 1 10 10 GLU CB C 13 29.2800 . . . . . . . . . . . 4090 1 82 . 1 1 10 10 GLU HG3 H 1 2.4100 . . . . . . . . . . . 4090 1 83 . 1 1 10 10 GLU CG C 13 35.6400 . . . . . . . . . . . 4090 1 84 . 1 1 11 11 ASP H H 1 8.7200 . . . . . . . . . . . 4090 1 85 . 1 1 11 11 ASP N N 15 117.0200 . . . . . . . . . . . 4090 1 86 . 1 1 11 11 ASP HA H 1 4.1000 . . . . . . . . . . . 4090 1 87 . 1 1 11 11 ASP CA C 13 57.0000 . . . . . . . . . . . 4090 1 88 . 1 1 11 11 ASP HB3 H 1 1.8900 . . . . . . . . . . . 4090 1 89 . 1 1 11 11 ASP HB2 H 1 2.2600 . . . . . . . . . . . 4090 1 90 . 1 1 11 11 ASP CB C 13 39.2800 . . . . . . . . . . . 4090 1 91 . 1 1 12 12 ALA H H 1 6.5200 . . . . . . . . . . . 4090 1 92 . 1 1 12 12 ALA N N 15 120.8100 . . . . . . . . . . . 4090 1 93 . 1 1 12 12 ALA HA H 1 3.0200 . . . . . . . . . . . 4090 1 94 . 1 1 12 12 ALA CA C 13 53.3000 . . . . . . . . . . . 4090 1 95 . 1 1 12 12 ALA HB1 H 1 1.3500 . . . . . . . . . . . 4090 1 96 . 1 1 12 12 ALA HB2 H 1 1.3500 . . . . . . . . . . . 4090 1 97 . 1 1 12 12 ALA HB3 H 1 1.3500 . . . . . . . . . . . 4090 1 98 . 1 1 12 12 ALA CB C 13 19.5000 . . . . . . . . . . . 4090 1 99 . 1 1 13 13 TRP H H 1 7.7000 . . . . . . . . . . . 4090 1 100 . 1 1 13 13 TRP N N 15 119.4400 . . . . . . . . . . . 4090 1 101 . 1 1 13 13 TRP HA H 1 4.1700 . . . . . . . . . . . 4090 1 102 . 1 1 13 13 TRP CA C 13 59.2700 . . . . . . . . . . . 4090 1 103 . 1 1 13 13 TRP HB3 H 1 3.0400 . . . . . . . . . . . 4090 1 104 . 1 1 13 13 TRP HB2 H 1 2.3500 . . . . . . . . . . . 4090 1 105 . 1 1 13 13 TRP CB C 13 29.5600 . . . . . . . . . . . 4090 1 106 . 1 1 13 13 TRP HD1 H 1 7.1500 . . . . . . . . . . . 4090 1 107 . 1 1 13 13 TRP CD1 C 13 127.8000 . . . . . . . . . . . 4090 1 108 . 1 1 13 13 TRP HZ2 H 1 7.3200 . . . . . . . . . . . 4090 1 109 . 1 1 13 13 TRP CZ2 C 13 114.8400 . . . . . . . . . . . 4090 1 110 . 1 1 13 13 TRP HH2 H 1 6.7500 . . . . . . . . . . . 4090 1 111 . 1 1 13 13 TRP CH2 C 13 123.5800 . . . . . . . . . . . 4090 1 112 . 1 1 14 14 GLN H H 1 8.0800 . . . . . . . . . . . 4090 1 113 . 1 1 14 14 GLN N N 15 114.0500 . . . . . . . . . . . 4090 1 114 . 1 1 14 14 GLN HA H 1 3.5600 . . . . . . . . . . . 4090 1 115 . 1 1 14 14 GLN CA C 13 58.3700 . . . . . . . . . . . 4090 1 116 . 1 1 14 14 GLN HB3 H 1 1.9100 . . . . . . . . . . . 4090 1 117 . 1 1 14 14 GLN HB2 H 1 2.0500 . . . . . . . . . . . 4090 1 118 . 1 1 14 14 GLN CB C 13 27.6700 . . . . . . . . . . . 4090 1 119 . 1 1 14 14 GLN HG3 H 1 2.5400 . . . . . . . . . . . 4090 1 120 . 1 1 14 14 GLN CG C 13 33.8100 . . . . . . . . . . . 4090 1 121 . 1 1 14 14 GLN HE21 H 1 6.7500 . . . . . . . . . . . 4090 1 122 . 1 1 14 14 GLN HE22 H 1 7.7100 . . . . . . . . . . . 4090 1 123 . 1 1 14 14 GLN NE2 N 15 112.4000 . . . . . . . . . . . 4090 1 124 . 1 1 15 15 PHE H H 1 7.5100 . . . . . . . . . . . 4090 1 125 . 1 1 15 15 PHE N N 15 120.7700 . . . . . . . . . . . 4090 1 126 . 1 1 15 15 PHE HA H 1 3.9700 . . . . . . . . . . . 4090 1 127 . 1 1 15 15 PHE CA C 13 61.6800 . . . . . . . . . . . 4090 1 128 . 1 1 15 15 PHE CB C 13 39.8000 . . . . . . . . . . . 4090 1 129 . 1 1 15 15 PHE HB3 H 1 3.1000 . . . . . . . . . . . 4090 1 130 . 1 1 15 15 PHE HB2 H 1 3.4000 . . . . . . . . . . . 4090 1 131 . 1 1 15 15 PHE HD1 H 1 7.3500 . . . . . . . . . . . 4090 1 132 . 1 1 15 15 PHE CD1 C 13 132.2800 . . . . . . . . . . . 4090 1 133 . 1 1 16 16 LEU H H 1 8.0500 . . . . . . . . . . . 4090 1 134 . 1 1 16 16 LEU N N 15 120.1500 . . . . . . . . . . . 4090 1 135 . 1 1 16 16 LEU HA H 1 4.6200 . . . . . . . . . . . 4090 1 136 . 1 1 16 16 LEU CA C 13 57.4600 . . . . . . . . . . . 4090 1 137 . 1 1 16 16 LEU HB3 H 1 1.8600 . . . . . . . . . . . 4090 1 138 . 1 1 16 16 LEU HB2 H 1 2.1300 . . . . . . . . . . . 4090 1 139 . 1 1 16 16 LEU CB C 13 41.9000 . . . . . . . . . . . 4090 1 140 . 1 1 16 16 LEU HD11 H 1 1.0200 . . . . . . . . . . . 4090 1 141 . 1 1 16 16 LEU HD12 H 1 1.0200 . . . . . . . . . . . 4090 1 142 . 1 1 16 16 LEU HD13 H 1 1.0200 . . . . . . . . . . . 4090 1 143 . 1 1 16 16 LEU CD1 C 13 23.2500 . . . . . . . . . . . 4090 1 144 . 1 1 16 16 LEU HD21 H 1 1.3200 . . . . . . . . . . . 4090 1 145 . 1 1 16 16 LEU HD22 H 1 1.3200 . . . . . . . . . . . 4090 1 146 . 1 1 16 16 LEU HD23 H 1 1.3200 . . . . . . . . . . . 4090 1 147 . 1 1 16 16 LEU CD2 C 13 27.2000 . . . . . . . . . . . 4090 1 148 . 1 1 17 17 ILE H H 1 8.1500 . . . . . . . . . . . 4090 1 149 . 1 1 17 17 ILE N N 15 115.5100 . . . . . . . . . . . 4090 1 150 . 1 1 17 17 ILE HA H 1 3.5900 . . . . . . . . . . . 4090 1 151 . 1 1 17 17 ILE CA C 13 64.8800 . . . . . . . . . . . 4090 1 152 . 1 1 17 17 ILE HB H 1 1.3500 . . . . . . . . . . . 4090 1 153 . 1 1 17 17 ILE CB C 13 37.1800 . . . . . . . . . . . 4090 1 154 . 1 1 17 17 ILE HG21 H 1 0.2600 . . . . . . . . . . . 4090 1 155 . 1 1 17 17 ILE HG22 H 1 0.2600 . . . . . . . . . . . 4090 1 156 . 1 1 17 17 ILE HG23 H 1 0.2600 . . . . . . . . . . . 4090 1 157 . 1 1 17 17 ILE CG2 C 13 17.8400 . . . . . . . . . . . 4090 1 158 . 1 1 17 17 ILE HG13 H 1 0.6400 . . . . . . . . . . . 4090 1 159 . 1 1 17 17 ILE HG12 H 1 0.9300 . . . . . . . . . . . 4090 1 160 . 1 1 17 17 ILE CG1 C 13 27.1300 . . . . . . . . . . . 4090 1 161 . 1 1 17 17 ILE HD11 H 1 0.3600 . . . . . . . . . . . 4090 1 162 . 1 1 17 17 ILE HD12 H 1 0.3600 . . . . . . . . . . . 4090 1 163 . 1 1 17 17 ILE HD13 H 1 0.3600 . . . . . . . . . . . 4090 1 164 . 1 1 17 17 ILE CD1 C 13 12.5800 . . . . . . . . . . . 4090 1 165 . 1 1 18 18 ALA H H 1 7.5800 . . . . . . . . . . . 4090 1 166 . 1 1 18 18 ALA N N 15 121.0700 . . . . . . . . . . . 4090 1 167 . 1 1 18 18 ALA HA H 1 3.9600 . . . . . . . . . . . 4090 1 168 . 1 1 18 18 ALA CA C 13 54.3700 . . . . . . . . . . . 4090 1 169 . 1 1 18 18 ALA CB C 13 17.8700 . . . . . . . . . . . 4090 1 170 . 1 1 18 18 ALA HB1 H 1 1.2600 . . . . . . . . . . . 4090 1 171 . 1 1 18 18 ALA HB2 H 1 1.2600 . . . . . . . . . . . 4090 1 172 . 1 1 18 18 ALA HB3 H 1 1.2600 . . . . . . . . . . . 4090 1 173 . 1 1 19 19 ASP H H 1 7.2400 . . . . . . . . . . . 4090 1 174 . 1 1 19 19 ASP N N 15 116.4300 . . . . . . . . . . . 4090 1 175 . 1 1 19 19 ASP HA H 1 4.2600 . . . . . . . . . . . 4090 1 176 . 1 1 19 19 ASP CA C 13 55.8600 . . . . . . . . . . . 4090 1 177 . 1 1 19 19 ASP HB3 H 1 2.4400 . . . . . . . . . . . 4090 1 178 . 1 1 19 19 ASP HB2 H 1 2.9100 . . . . . . . . . . . 4090 1 179 . 1 1 19 19 ASP CB C 13 42.3500 . . . . . . . . . . . 4090 1 180 . 1 1 20 20 TYR H H 1 8.5100 . . . . . . . . . . . 4090 1 181 . 1 1 20 20 TYR N N 15 115.0500 . . . . . . . . . . . 4090 1 182 . 1 1 20 20 TYR HA H 1 4.2700 . . . . . . . . . . . 4090 1 183 . 1 1 20 20 TYR CA C 13 61.6000 . . . . . . . . . . . 4090 1 184 . 1 1 20 20 TYR HB3 H 1 2.7100 . . . . . . . . . . . 4090 1 185 . 1 1 20 20 TYR HB2 H 1 3.2300 . . . . . . . . . . . 4090 1 186 . 1 1 20 20 TYR CB C 13 40.2200 . . . . . . . . . . . 4090 1 187 . 1 1 20 20 TYR HD1 H 1 7.1500 . . . . . . . . . . . 4090 1 188 . 1 1 20 20 TYR CD1 C 13 131.0000 . . . . . . . . . . . 4090 1 189 . 1 1 20 20 TYR HE1 H 1 6.9300 . . . . . . . . . . . 4090 1 190 . 1 1 20 20 TYR CE1 C 13 118.2000 . . . . . . . . . . . 4090 1 191 . 1 1 21 21 LEU H H 1 8.0200 . . . . . . . . . . . 4090 1 192 . 1 1 21 21 LEU N N 15 116.4400 . . . . . . . . . . . 4090 1 193 . 1 1 21 21 LEU HA H 1 4.2200 . . . . . . . . . . . 4090 1 194 . 1 1 21 21 LEU CA C 13 53.5600 . . . . . . . . . . . 4090 1 195 . 1 1 21 21 LEU HB3 H 1 1.4800 . . . . . . . . . . . 4090 1 196 . 1 1 21 21 LEU HB2 H 1 1.9500 . . . . . . . . . . . 4090 1 197 . 1 1 21 21 LEU CB C 13 39.2800 . . . . . . . . . . . 4090 1 198 . 1 1 21 21 LEU HG H 1 1.9000 . . . . . . . . . . . 4090 1 199 . 1 1 21 21 LEU CG C 13 26.8600 . . . . . . . . . . . 4090 1 200 . 1 1 21 21 LEU HD11 H 1 0.8800 . . . . . . . . . . . 4090 1 201 . 1 1 21 21 LEU HD12 H 1 0.8800 . . . . . . . . . . . 4090 1 202 . 1 1 21 21 LEU HD13 H 1 0.8800 . . . . . . . . . . . 4090 1 203 . 1 1 21 21 LEU CD1 C 13 24.0000 . . . . . . . . . . . 4090 1 204 . 1 1 21 21 LEU HD21 H 1 0.9300 . . . . . . . . . . . 4090 1 205 . 1 1 21 21 LEU HD22 H 1 0.9300 . . . . . . . . . . . 4090 1 206 . 1 1 21 21 LEU HD23 H 1 0.9300 . . . . . . . . . . . 4090 1 207 . 1 1 21 21 LEU CD2 C 13 26.5500 . . . . . . . . . . . 4090 1 208 . 1 1 22 22 ARG H H 1 7.3500 . . . . . . . . . . . 4090 1 209 . 1 1 22 22 ARG N N 15 120.1000 . . . . . . . . . . . 4090 1 210 . 1 1 22 22 ARG HA H 1 4.6200 . . . . . . . . . . . 4090 1 211 . 1 1 22 22 ARG CA C 13 54.8200 . . . . . . . . . . . 4090 1 212 . 1 1 22 22 ARG HB3 H 1 1.6500 . . . . . . . . . . . 4090 1 213 . 1 1 22 22 ARG HB2 H 1 2.0800 . . . . . . . . . . . 4090 1 214 . 1 1 22 22 ARG CB C 13 31.1900 . . . . . . . . . . . 4090 1 215 . 1 1 23 23 PRO CA C 13 64.6500 . . . . . . . . . . . 4090 1 216 . 1 1 23 23 PRO HA H 1 4.5300 . . . . . . . . . . . 4090 1 217 . 1 1 23 23 PRO HB3 H 1 1.9600 . . . . . . . . . . . 4090 1 218 . 1 1 23 23 PRO HB2 H 1 2.2200 . . . . . . . . . . . 4090 1 219 . 1 1 23 23 PRO CB C 13 31.6700 . . . . . . . . . . . 4090 1 220 . 1 1 23 23 PRO HG3 H 1 2.0400 . . . . . . . . . . . 4090 1 221 . 1 1 23 23 PRO CG C 13 27.5600 . . . . . . . . . . . 4090 1 222 . 1 1 23 23 PRO HD3 H 1 3.8000 . . . . . . . . . . . 4090 1 223 . 1 1 23 23 PRO CD C 13 50.9000 . . . . . . . . . . . 4090 1 224 . 1 1 24 24 GLU H H 1 8.2300 . . . . . . . . . . . 4090 1 225 . 1 1 24 24 GLU N N 15 116.6600 . . . . . . . . . . . 4090 1 226 . 1 1 24 24 GLU HA H 1 4.0400 . . . . . . . . . . . 4090 1 227 . 1 1 24 24 GLU CA C 13 58.9100 . . . . . . . . . . . 4090 1 228 . 1 1 24 24 GLU HB3 H 1 1.8200 . . . . . . . . . . . 4090 1 229 . 1 1 24 24 GLU HB2 H 1 1.9600 . . . . . . . . . . . 4090 1 230 . 1 1 24 24 GLU CB C 13 28.7700 . . . . . . . . . . . 4090 1 231 . 1 1 24 24 GLU HG3 H 1 2.1800 . . . . . . . . . . . 4090 1 232 . 1 1 24 24 GLU HG2 H 1 2.3800 . . . . . . . . . . . 4090 1 233 . 1 1 24 24 GLU CG C 13 37.4000 . . . . . . . . . . . 4090 1 234 . 1 1 25 25 LYS H H 1 8.3200 . . . . . . . . . . . 4090 1 235 . 1 1 25 25 LYS N N 15 115.5800 . . . . . . . . . . . 4090 1 236 . 1 1 25 25 LYS HA H 1 3.8100 . . . . . . . . . . . 4090 1 237 . 1 1 25 25 LYS CA C 13 56.5500 . . . . . . . . . . . 4090 1 238 . 1 1 25 25 LYS HB3 H 1 1.7800 . . . . . . . . . . . 4090 1 239 . 1 1 25 25 LYS CB C 13 30.7900 . . . . . . . . . . . 4090 1 240 . 1 1 25 25 LYS HG3 H 1 1.3000 . . . . . . . . . . . 4090 1 241 . 1 1 25 25 LYS HG2 H 1 1.4200 . . . . . . . . . . . 4090 1 242 . 1 1 25 25 LYS CG C 13 25.0900 . . . . . . . . . . . 4090 1 243 . 1 1 25 25 LYS HD3 H 1 1.6700 . . . . . . . . . . . 4090 1 244 . 1 1 25 25 LYS CD C 13 29.3800 . . . . . . . . . . . 4090 1 245 . 1 1 25 25 LYS HE3 H 1 2.9800 . . . . . . . . . . . 4090 1 246 . 1 1 25 25 LYS CE C 13 41.9100 . . . . . . . . . . . 4090 1 247 . 1 1 26 26 PRO HA H 1 4.4700 . . . . . . . . . . . 4090 1 248 . 1 1 26 26 PRO CA C 13 62.4300 . . . . . . . . . . . 4090 1 249 . 1 1 26 26 PRO HB3 H 1 1.8500 . . . . . . . . . . . 4090 1 250 . 1 1 26 26 PRO HB2 H 1 2.1000 . . . . . . . . . . . 4090 1 251 . 1 1 26 26 PRO CB C 13 32.4200 . . . . . . . . . . . 4090 1 252 . 1 1 26 26 PRO HG3 H 1 1.7800 . . . . . . . . . . . 4090 1 253 . 1 1 26 26 PRO HG2 H 1 2.0900 . . . . . . . . . . . 4090 1 254 . 1 1 26 26 PRO CG C 13 29.1600 . . . . . . . . . . . 4090 1 255 . 1 1 26 26 PRO HD3 H 1 3.1100 . . . . . . . . . . . 4090 1 256 . 1 1 26 26 PRO HD2 H 1 3.5600 . . . . . . . . . . . 4090 1 257 . 1 1 26 26 PRO CD C 13 51.2790 . . . . . . . . . . . 4090 1 258 . 1 1 27 27 ALA H H 1 8.6100 . . . . . . . . . . . 4090 1 259 . 1 1 27 27 ALA N N 15 123.0300 . . . . . . . . . . . 4090 1 260 . 1 1 27 27 ALA HA H 1 4.5400 . . . . . . . . . . . 4090 1 261 . 1 1 27 27 ALA CA C 13 51.9100 . . . . . . . . . . . 4090 1 262 . 1 1 27 27 ALA HB1 H 1 1.6000 . . . . . . . . . . . 4090 1 263 . 1 1 27 27 ALA HB2 H 1 1.6000 . . . . . . . . . . . 4090 1 264 . 1 1 27 27 ALA HB3 H 1 1.6000 . . . . . . . . . . . 4090 1 265 . 1 1 27 27 ALA CB C 13 19.1400 . . . . . . . . . . . 4090 1 266 . 1 1 28 28 PHE CA C 13 63.6400 . . . . . . . . . . . 4090 1 267 . 1 1 28 28 PHE HA H 1 4.0800 . . . . . . . . . . . 4090 1 268 . 1 1 28 28 PHE HB3 H 1 3.0600 . . . . . . . . . . . 4090 1 269 . 1 1 28 28 PHE HB2 H 1 3.4650 . . . . . . . . . . . 4090 1 270 . 1 1 28 28 PHE CB C 13 38.6800 . . . . . . . . . . . 4090 1 271 . 1 1 28 28 PHE HD1 H 1 6.9400 . . . . . . . . . . . 4090 1 272 . 1 1 28 28 PHE CD1 C 13 132.2800 . . . . . . . . . . . 4090 1 273 . 1 1 28 28 PHE HE1 H 1 7.1700 . . . . . . . . . . . 4090 1 274 . 1 1 28 28 PHE CE1 C 13 132.7400 . . . . . . . . . . . 4090 1 275 . 1 1 28 28 PHE HZ H 1 7.3000 . . . . . . . . . . . 4090 1 276 . 1 1 29 29 ARG H H 1 9.3400 . . . . . . . . . . . 4090 1 277 . 1 1 29 29 ARG N N 15 115.9800 . . . . . . . . . . . 4090 1 278 . 1 1 29 29 ARG HA H 1 3.6600 . . . . . . . . . . . 4090 1 279 . 1 1 29 29 ARG CA C 13 60.1400 . . . . . . . . . . . 4090 1 280 . 1 1 29 29 ARG HB3 H 1 1.9500 . . . . . . . . . . . 4090 1 281 . 1 1 29 29 ARG HB2 H 1 2.0300 . . . . . . . . . . . 4090 1 282 . 1 1 29 29 ARG CB C 13 29.7300 . . . . . . . . . . . 4090 1 283 . 1 1 29 29 ARG HG2 H 1 1.6300 . . . . . . . . . . . 4090 1 284 . 1 1 29 29 ARG HG3 H 1 1.8200 . . . . . . . . . . . 4090 1 285 . 1 1 29 29 ARG CG C 13 27.6900 . . . . . . . . . . . 4090 1 286 . 1 1 29 29 ARG HD2 H 1 3.2100 . . . . . . . . . . . 4090 1 287 . 1 1 29 29 ARG CD C 13 43.4700 . . . . . . . . . . . 4090 1 288 . 1 1 30 30 LYS H H 1 6.9200 . . . . . . . . . . . 4090 1 289 . 1 1 30 30 LYS N N 15 117.4500 . . . . . . . . . . . 4090 1 290 . 1 1 30 30 LYS HA H 1 4.2400 . . . . . . . . . . . 4090 1 291 . 1 1 30 30 LYS CA C 13 57.6400 . . . . . . . . . . . 4090 1 292 . 1 1 30 30 LYS HB3 H 1 2.0300 . . . . . . . . . . . 4090 1 293 . 1 1 30 30 LYS HB2 H 1 2.1400 . . . . . . . . . . . 4090 1 294 . 1 1 30 30 LYS CB C 13 31.5100 . . . . . . . . . . . 4090 1 295 . 1 1 30 30 LYS HG3 H 1 1.5400 . . . . . . . . . . . 4090 1 296 . 1 1 30 30 LYS HG2 H 1 1.6600 . . . . . . . . . . . 4090 1 297 . 1 1 30 30 LYS CG C 13 24.8000 . . . . . . . . . . . 4090 1 298 . 1 1 30 30 LYS HD3 H 1 1.8000 . . . . . . . . . . . 4090 1 299 . 1 1 30 30 LYS CD C 13 28.1400 . . . . . . . . . . . 4090 1 300 . 1 1 30 30 LYS HE3 H 1 3.0300 . . . . . . . . . . . 4090 1 301 . 1 1 30 30 LYS CE C 13 41.7000 . . . . . . . . . . . 4090 1 302 . 1 1 31 31 CYS H H 1 7.7500 . . . . . . . . . . . 4090 1 303 . 1 1 31 31 CYS N N 15 118.6600 . . . . . . . . . . . 4090 1 304 . 1 1 31 31 CYS HA H 1 4.3000 . . . . . . . . . . . 4090 1 305 . 1 1 31 31 CYS CA C 13 62.0000 . . . . . . . . . . . 4090 1 306 . 1 1 31 31 CYS HB3 H 1 2.8800 . . . . . . . . . . . 4090 1 307 . 1 1 31 31 CYS HB2 H 1 3.0400 . . . . . . . . . . . 4090 1 308 . 1 1 31 31 CYS CB C 13 26.7000 . . . . . . . . . . . 4090 1 309 . 1 1 32 32 TYR H H 1 8.8200 . . . . . . . . . . . 4090 1 310 . 1 1 32 32 TYR N N 15 121.4900 . . . . . . . . . . . 4090 1 311 . 1 1 32 32 TYR HA H 1 3.6800 . . . . . . . . . . . 4090 1 312 . 1 1 32 32 TYR CA C 13 63.0200 . . . . . . . . . . . 4090 1 313 . 1 1 32 32 TYR HB3 H 1 2.1300 . . . . . . . . . . . 4090 1 314 . 1 1 32 32 TYR HB2 H 1 2.6800 . . . . . . . . . . . 4090 1 315 . 1 1 32 32 TYR CB C 13 37.6100 . . . . . . . . . . . 4090 1 316 . 1 1 32 32 TYR HD1 H 1 6.8600 . . . . . . . . . . . 4090 1 317 . 1 1 32 32 TYR CD1 C 13 132.9300 . . . . . . . . . . . 4090 1 318 . 1 1 32 32 TYR HE1 H 1 6.6500 . . . . . . . . . . . 4090 1 319 . 1 1 32 32 TYR CE1 C 13 118.0500 . . . . . . . . . . . 4090 1 320 . 1 1 33 33 GLU H H 1 7.7900 . . . . . . . . . . . 4090 1 321 . 1 1 33 33 GLU N N 15 118.7600 . . . . . . . . . . . 4090 1 322 . 1 1 33 33 GLU HA H 1 4.2500 . . . . . . . . . . . 4090 1 323 . 1 1 33 33 GLU CA C 13 59.6100 . . . . . . . . . . . 4090 1 324 . 1 1 33 33 GLU HB3 H 1 2.1700 . . . . . . . . . . . 4090 1 325 . 1 1 33 33 GLU HB2 H 1 2.3000 . . . . . . . . . . . 4090 1 326 . 1 1 33 33 GLU CB C 13 29.8500 . . . . . . . . . . . 4090 1 327 . 1 1 33 33 GLU HG3 H 1 2.3300 . . . . . . . . . . . 4090 1 328 . 1 1 33 33 GLU HG2 H 1 2.6100 . . . . . . . . . . . 4090 1 329 . 1 1 33 33 GLU CG C 13 36.7300 . . . . . . . . . . . 4090 1 330 . 1 1 34 34 ARG H H 1 7.7400 . . . . . . . . . . . 4090 1 331 . 1 1 34 34 ARG N N 15 118.3900 . . . . . . . . . . . 4090 1 332 . 1 1 34 34 ARG CA C 13 60.2300 . . . . . . . . . . . 4090 1 333 . 1 1 34 34 ARG HA H 1 4.0700 . . . . . . . . . . . 4090 1 334 . 1 1 34 34 ARG CB C 13 31.3400 . . . . . . . . . . . 4090 1 335 . 1 1 34 34 ARG HB3 H 1 1.9300 . . . . . . . . . . . 4090 1 336 . 1 1 34 34 ARG HB2 H 1 2.2700 . . . . . . . . . . . 4090 1 337 . 1 1 34 34 ARG CD C 13 43.7000 . . . . . . . . . . . 4090 1 338 . 1 1 34 34 ARG HD3 H 1 3.1800 . . . . . . . . . . . 4090 1 339 . 1 1 34 34 ARG HD2 H 1 3.4400 . . . . . . . . . . . 4090 1 340 . 1 1 35 35 LEU H H 1 8.3400 . . . . . . . . . . . 4090 1 341 . 1 1 35 35 LEU N N 15 122.6900 . . . . . . . . . . . 4090 1 342 . 1 1 35 35 LEU HA H 1 4.1300 . . . . . . . . . . . 4090 1 343 . 1 1 35 35 LEU CA C 13 57.9300 . . . . . . . . . . . 4090 1 344 . 1 1 35 35 LEU HB3 H 1 1.6000 . . . . . . . . . . . 4090 1 345 . 1 1 35 35 LEU HB2 H 1 2.0520 . . . . . . . . . . . 4090 1 346 . 1 1 35 35 LEU CB C 13 40.7900 . . . . . . . . . . . 4090 1 347 . 1 1 35 35 LEU HG H 1 1.5500 . . . . . . . . . . . 4090 1 348 . 1 1 35 35 LEU CG C 13 27.5800 . . . . . . . . . . . 4090 1 349 . 1 1 35 35 LEU HD11 H 1 1.0300 . . . . . . . . . . . 4090 1 350 . 1 1 35 35 LEU HD12 H 1 1.0300 . . . . . . . . . . . 4090 1 351 . 1 1 35 35 LEU HD13 H 1 1.0300 . . . . . . . . . . . 4090 1 352 . 1 1 35 35 LEU CD1 C 13 26.8000 . . . . . . . . . . . 4090 1 353 . 1 1 35 35 LEU HD21 H 1 1.2500 . . . . . . . . . . . 4090 1 354 . 1 1 35 35 LEU HD22 H 1 1.2500 . . . . . . . . . . . 4090 1 355 . 1 1 35 35 LEU HD23 H 1 1.2500 . . . . . . . . . . . 4090 1 356 . 1 1 35 35 LEU CD2 C 13 24.5000 . . . . . . . . . . . 4090 1 357 . 1 1 36 36 GLU H H 1 8.5200 . . . . . . . . . . . 4090 1 358 . 1 1 36 36 GLU N N 15 119.4000 . . . . . . . . . . . 4090 1 359 . 1 1 36 36 GLU HA H 1 3.6500 . . . . . . . . . . . 4090 1 360 . 1 1 36 36 GLU CA C 13 60.4100 . . . . . . . . . . . 4090 1 361 . 1 1 36 36 GLU HB3 H 1 1.8800 . . . . . . . . . . . 4090 1 362 . 1 1 36 36 GLU HB2 H 1 2.1100 . . . . . . . . . . . 4090 1 363 . 1 1 36 36 GLU CB C 13 30.0000 . . . . . . . . . . . 4090 1 364 . 1 1 36 36 GLU HG3 H 1 1.9400 . . . . . . . . . . . 4090 1 365 . 1 1 36 36 GLU HG2 H 1 2.2300 . . . . . . . . . . . 4090 1 366 . 1 1 36 36 GLU CG C 13 37.7500 . . . . . . . . . . . 4090 1 367 . 1 1 37 37 LEU H H 1 7.2600 . . . . . . . . . . . 4090 1 368 . 1 1 37 37 LEU N N 15 118.2100 . . . . . . . . . . . 4090 1 369 . 1 1 37 37 LEU HA H 1 4.0100 . . . . . . . . . . . 4090 1 370 . 1 1 37 37 LEU CA C 13 58.0800 . . . . . . . . . . . 4090 1 371 . 1 1 37 37 LEU HB3 H 1 1.6100 . . . . . . . . . . . 4090 1 372 . 1 1 37 37 LEU HB2 H 1 1.8100 . . . . . . . . . . . 4090 1 373 . 1 1 37 37 LEU CB C 13 41.8500 . . . . . . . . . . . 4090 1 374 . 1 1 37 37 LEU HG H 1 1.7800 . . . . . . . . . . . 4090 1 375 . 1 1 37 37 LEU CG C 13 27.0500 . . . . . . . . . . . 4090 1 376 . 1 1 37 37 LEU HD11 H 1 0.9000 . . . . . . . . . . . 4090 1 377 . 1 1 37 37 LEU HD12 H 1 0.9000 . . . . . . . . . . . 4090 1 378 . 1 1 37 37 LEU HD13 H 1 0.9000 . . . . . . . . . . . 4090 1 379 . 1 1 37 37 LEU CD1 C 13 23.4900 . . . . . . . . . . . 4090 1 380 . 1 1 37 37 LEU HD21 H 1 0.9500 . . . . . . . . . . . 4090 1 381 . 1 1 37 37 LEU HD22 H 1 0.9500 . . . . . . . . . . . 4090 1 382 . 1 1 37 37 LEU HD23 H 1 0.9500 . . . . . . . . . . . 4090 1 383 . 1 1 37 37 LEU CD2 C 13 25.0400 . . . . . . . . . . . 4090 1 384 . 1 1 38 38 ALA H H 1 7.9100 . . . . . . . . . . . 4090 1 385 . 1 1 38 38 ALA N N 15 123.0500 . . . . . . . . . . . 4090 1 386 . 1 1 38 38 ALA HA H 1 3.9500 . . . . . . . . . . . 4090 1 387 . 1 1 38 38 ALA CA C 13 54.6300 . . . . . . . . . . . 4090 1 388 . 1 1 38 38 ALA HB1 H 1 0.8700 . . . . . . . . . . . 4090 1 389 . 1 1 38 38 ALA HB2 H 1 0.8700 . . . . . . . . . . . 4090 1 390 . 1 1 38 38 ALA HB3 H 1 0.8700 . . . . . . . . . . . 4090 1 391 . 1 1 38 38 ALA CB C 13 18.9400 . . . . . . . . . . . 4090 1 392 . 1 1 39 39 ALA H H 1 9.4500 . . . . . . . . . . . 4090 1 393 . 1 1 39 39 ALA N N 15 120.4400 . . . . . . . . . . . 4090 1 394 . 1 1 39 39 ALA HA H 1 3.8700 . . . . . . . . . . . 4090 1 395 . 1 1 39 39 ALA CA C 13 55.3500 . . . . . . . . . . . 4090 1 396 . 1 1 39 39 ALA HB1 H 1 1.6800 . . . . . . . . . . . 4090 1 397 . 1 1 39 39 ALA HB2 H 1 1.6800 . . . . . . . . . . . 4090 1 398 . 1 1 39 39 ALA HB3 H 1 1.6800 . . . . . . . . . . . 4090 1 399 . 1 1 39 39 ALA CB C 13 19.0200 . . . . . . . . . . . 4090 1 400 . 1 1 40 40 ARG H H 1 7.5200 . . . . . . . . . . . 4090 1 401 . 1 1 40 40 ARG N N 15 117.8100 . . . . . . . . . . . 4090 1 402 . 1 1 40 40 ARG HA H 1 4.0700 . . . . . . . . . . . 4090 1 403 . 1 1 40 40 ARG CA C 13 58.9200 . . . . . . . . . . . 4090 1 404 . 1 1 40 40 ARG HB3 H 1 1.9200 . . . . . . . . . . . 4090 1 405 . 1 1 40 40 ARG CB C 13 29.9500 . . . . . . . . . . . 4090 1 406 . 1 1 40 40 ARG HG3 H 1 1.8200 . . . . . . . . . . . 4090 1 407 . 1 1 40 40 ARG CG C 13 27.4700 . . . . . . . . . . . 4090 1 408 . 1 1 40 40 ARG HD3 H 1 3.2000 . . . . . . . . . . . 4090 1 409 . 1 1 40 40 ARG CD C 13 43.6200 . . . . . . . . . . . 4090 1 410 . 1 1 41 41 GLU H H 1 7.2800 . . . . . . . . . . . 4090 1 411 . 1 1 41 41 GLU N N 15 117.8600 . . . . . . . . . . . 4090 1 412 . 1 1 41 41 GLU HA H 1 3.8800 . . . . . . . . . . . 4090 1 413 . 1 1 41 41 GLU CA C 13 58.5600 . . . . . . . . . . . 4090 1 414 . 1 1 41 41 GLU HB3 H 1 1.5700 . . . . . . . . . . . 4090 1 415 . 1 1 41 41 GLU HB2 H 1 1.7700 . . . . . . . . . . . 4090 1 416 . 1 1 41 41 GLU CB C 13 29.6800 . . . . . . . . . . . 4090 1 417 . 1 1 41 41 GLU HG3 H 1 1.7700 . . . . . . . . . . . 4090 1 418 . 1 1 41 41 GLU HG2 H 1 2.0500 . . . . . . . . . . . 4090 1 419 . 1 1 41 41 GLU CG C 13 35.5800 . . . . . . . . . . . 4090 1 420 . 1 1 42 42 HIS H H 1 7.4300 . . . . . . . . . . . 4090 1 421 . 1 1 42 42 HIS N N 15 111.4700 . . . . . . . . . . . 4090 1 422 . 1 1 42 42 HIS HA H 1 4.2200 . . . . . . . . . . . 4090 1 423 . 1 1 42 42 HIS CA C 13 56.1000 . . . . . . . . . . . 4090 1 424 . 1 1 42 42 HIS HB3 H 1 2.2700 . . . . . . . . . . . 4090 1 425 . 1 1 42 42 HIS HB2 H 1 0.7500 . . . . . . . . . . . 4090 1 426 . 1 1 42 42 HIS CB C 13 28.1800 . . . . . . . . . . . 4090 1 427 . 1 1 42 42 HIS HD2 H 1 6.4000 . . . . . . . . . . . 4090 1 428 . 1 1 42 42 HIS CD2 C 13 120.8000 . . . . . . . . . . . 4090 1 429 . 1 1 43 43 GLY H H 1 7.7000 . . . . . . . . . . . 4090 1 430 . 1 1 43 43 GLY N N 15 109.7700 . . . . . . . . . . . 4090 1 431 . 1 1 43 43 GLY CA C 13 46.6400 . . . . . . . . . . . 4090 1 432 . 1 1 43 43 GLY HA3 H 1 3.9000 . . . . . . . . . . . 4090 1 433 . 1 1 43 43 GLY HA2 H 1 4.0200 . . . . . . . . . . . 4090 1 434 . 1 1 44 44 TRP H H 1 7.8100 . . . . . . . . . . . 4090 1 435 . 1 1 44 44 TRP N N 15 118.2200 . . . . . . . . . . . 4090 1 436 . 1 1 44 44 TRP HA H 1 5.2100 . . . . . . . . . . . 4090 1 437 . 1 1 44 44 TRP CA C 13 54.3100 . . . . . . . . . . . 4090 1 438 . 1 1 44 44 TRP HB3 H 1 3.0500 . . . . . . . . . . . 4090 1 439 . 1 1 44 44 TRP CB C 13 31.2500 . . . . . . . . . . . 4090 1 440 . 1 1 44 44 TRP HD1 H 1 7.2200 . . . . . . . . . . . 4090 1 441 . 1 1 44 44 TRP CD1 C 13 124.5000 . . . . . . . . . . . 4090 1 442 . 1 1 44 44 TRP HE1 H 1 10.6000 . . . . . . . . . . . 4090 1 443 . 1 1 44 44 TRP NE1 N 15 131.4900 . . . . . . . . . . . 4090 1 444 . 1 1 44 44 TRP HZ2 H 1 6.9500 . . . . . . . . . . . 4090 1 445 . 1 1 44 44 TRP CZ2 C 13 114.6400 . . . . . . . . . . . 4090 1 446 . 1 1 44 44 TRP HH2 H 1 6.6700 . . . . . . . . . . . 4090 1 447 . 1 1 44 44 TRP CH2 C 13 123.9400 . . . . . . . . . . . 4090 1 448 . 1 1 44 44 TRP HZ3 H 1 6.1500 . . . . . . . . . . . 4090 1 449 . 1 1 44 44 TRP CZ3 C 13 121.5700 . . . . . . . . . . . 4090 1 450 . 1 1 44 44 TRP HE3 H 1 6.8300 . . . . . . . . . . . 4090 1 451 . 1 1 44 44 TRP CE3 C 13 117.7300 . . . . . . . . . . . 4090 1 452 . 1 1 45 45 SER H H 1 9.3300 . . . . . . . . . . . 4090 1 453 . 1 1 45 45 SER N N 15 119.4400 . . . . . . . . . . . 4090 1 454 . 1 1 45 45 SER HA H 1 4.6700 . . . . . . . . . . . 4090 1 455 . 1 1 45 45 SER CA C 13 58.1800 . . . . . . . . . . . 4090 1 456 . 1 1 45 45 SER HB3 H 1 3.8000 . . . . . . . . . . . 4090 1 457 . 1 1 45 45 SER CB C 13 63.5100 . . . . . . . . . . . 4090 1 458 . 1 1 46 46 ILE H H 1 8.2000 . . . . . . . . . . . 4090 1 459 . 1 1 46 46 ILE N N 15 117.8900 . . . . . . . . . . . 4090 1 460 . 1 1 46 46 ILE HA H 1 4.6900 . . . . . . . . . . . 4090 1 461 . 1 1 46 46 ILE CA C 13 57.8800 . . . . . . . . . . . 4090 1 462 . 1 1 46 46 ILE HB H 1 1.6100 . . . . . . . . . . . 4090 1 463 . 1 1 46 46 ILE CB C 13 40.2700 . . . . . . . . . . . 4090 1 464 . 1 1 46 46 ILE HG21 H 1 0.9300 . . . . . . . . . . . 4090 1 465 . 1 1 46 46 ILE HG22 H 1 0.9300 . . . . . . . . . . . 4090 1 466 . 1 1 46 46 ILE HG23 H 1 0.9300 . . . . . . . . . . . 4090 1 467 . 1 1 46 46 ILE CG2 C 13 19.6600 . . . . . . . . . . . 4090 1 468 . 1 1 46 46 ILE HG13 H 1 1.0400 . . . . . . . . . . . 4090 1 469 . 1 1 46 46 ILE HG12 H 1 1.5000 . . . . . . . . . . . 4090 1 470 . 1 1 46 46 ILE CG1 C 13 24.5600 . . . . . . . . . . . 4090 1 471 . 1 1 46 46 ILE HD11 H 1 0.6500 . . . . . . . . . . . 4090 1 472 . 1 1 46 46 ILE HD12 H 1 0.6500 . . . . . . . . . . . 4090 1 473 . 1 1 46 46 ILE HD13 H 1 0.6500 . . . . . . . . . . . 4090 1 474 . 1 1 46 46 ILE CD1 C 13 14.2100 . . . . . . . . . . . 4090 1 475 . 1 1 47 47 PRO HA H 1 4.7600 . . . . . . . . . . . 4090 1 476 . 1 1 47 47 PRO CA C 13 61.2600 . . . . . . . . . . . 4090 1 477 . 1 1 47 47 PRO HB3 H 1 1.8600 . . . . . . . . . . . 4090 1 478 . 1 1 47 47 PRO CB C 13 32.4700 . . . . . . . . . . . 4090 1 479 . 1 1 48 48 SER H H 1 8.6300 . . . . . . . . . . . 4090 1 480 . 1 1 48 48 SER N N 15 114.8100 . . . . . . . . . . . 4090 1 481 . 1 1 48 48 SER HA H 1 4.3600 . . . . . . . . . . . 4090 1 482 . 1 1 48 48 SER CA C 13 58.0400 . . . . . . . . . . . 4090 1 483 . 1 1 48 48 SER HB3 H 1 4.0900 . . . . . . . . . . . 4090 1 484 . 1 1 48 48 SER HB2 H 1 4.2800 . . . . . . . . . . . 4090 1 485 . 1 1 48 48 SER CB C 13 65.0400 . . . . . . . . . . . 4090 1 486 . 1 1 49 49 ARG H H 1 8.7500 . . . . . . . . . . . 4090 1 487 . 1 1 49 49 ARG N N 15 122.8700 . . . . . . . . . . . 4090 1 488 . 1 1 49 49 ARG HA H 1 3.0900 . . . . . . . . . . . 4090 1 489 . 1 1 49 49 ARG CA C 13 60.7600 . . . . . . . . . . . 4090 1 490 . 1 1 49 49 ARG HB3 H 1 1.1990 . . . . . . . . . . . 4090 1 491 . 1 1 49 49 ARG HB2 H 1 1.5410 . . . . . . . . . . . 4090 1 492 . 1 1 49 49 ARG CB C 13 30.1700 . . . . . . . . . . . 4090 1 493 . 1 1 49 49 ARG HG3 H 1 1.1500 . . . . . . . . . . . 4090 1 494 . 1 1 49 49 ARG CG C 13 27.5300 . . . . . . . . . . . 4090 1 495 . 1 1 49 49 ARG HD3 H 1 3.1000 . . . . . . . . . . . 4090 1 496 . 1 1 49 49 ARG CD C 13 43.5000 . . . . . . . . . . . 4090 1 497 . 1 1 50 50 ALA H H 1 8.3100 . . . . . . . . . . . 4090 1 498 . 1 1 50 50 ALA N N 15 119.5000 . . . . . . . . . . . 4090 1 499 . 1 1 50 50 ALA HA H 1 4.0800 . . . . . . . . . . . 4090 1 500 . 1 1 50 50 ALA CA C 13 55.3300 . . . . . . . . . . . 4090 1 501 . 1 1 50 50 ALA HB1 H 1 1.3900 . . . . . . . . . . . 4090 1 502 . 1 1 50 50 ALA HB2 H 1 1.3900 . . . . . . . . . . . 4090 1 503 . 1 1 50 50 ALA HB3 H 1 1.3900 . . . . . . . . . . . 4090 1 504 . 1 1 50 50 ALA CB C 13 18.6300 . . . . . . . . . . . 4090 1 505 . 1 1 51 51 THR H H 1 7.7100 . . . . . . . . . . . 4090 1 506 . 1 1 51 51 THR N N 15 116.9900 . . . . . . . . . . . 4090 1 507 . 1 1 51 51 THR HA H 1 3.8800 . . . . . . . . . . . 4090 1 508 . 1 1 51 51 THR CA C 13 66.6300 . . . . . . . . . . . 4090 1 509 . 1 1 51 51 THR HB H 1 4.1300 . . . . . . . . . . . 4090 1 510 . 1 1 51 51 THR CB C 13 68.4300 . . . . . . . . . . . 4090 1 511 . 1 1 51 51 THR HG21 H 1 1.2300 . . . . . . . . . . . 4090 1 512 . 1 1 51 51 THR HG22 H 1 1.2300 . . . . . . . . . . . 4090 1 513 . 1 1 51 51 THR HG23 H 1 1.2300 . . . . . . . . . . . 4090 1 514 . 1 1 51 51 THR CG2 C 13 22.3800 . . . . . . . . . . . 4090 1 515 . 1 1 52 52 ALA H H 1 8.8100 . . . . . . . . . . . 4090 1 516 . 1 1 52 52 ALA N N 15 123.6600 . . . . . . . . . . . 4090 1 517 . 1 1 52 52 ALA HA H 1 4.1900 . . . . . . . . . . . 4090 1 518 . 1 1 52 52 ALA CA C 13 55.8700 . . . . . . . . . . . 4090 1 519 . 1 1 52 52 ALA HB1 H 1 1.7600 . . . . . . . . . . . 4090 1 520 . 1 1 52 52 ALA HB2 H 1 1.7600 . . . . . . . . . . . 4090 1 521 . 1 1 52 52 ALA HB3 H 1 1.7600 . . . . . . . . . . . 4090 1 522 . 1 1 52 52 ALA CB C 13 18.4900 . . . . . . . . . . . 4090 1 523 . 1 1 53 53 PHE H H 1 8.6900 . . . . . . . . . . . 4090 1 524 . 1 1 53 53 PHE N N 15 117.5900 . . . . . . . . . . . 4090 1 525 . 1 1 53 53 PHE HA H 1 3.4200 . . . . . . . . . . . 4090 1 526 . 1 1 53 53 PHE CA C 13 60.6700 . . . . . . . . . . . 4090 1 527 . 1 1 53 53 PHE HB3 H 1 2.6500 . . . . . . . . . . . 4090 1 528 . 1 1 53 53 PHE HB2 H 1 2.7500 . . . . . . . . . . . 4090 1 529 . 1 1 53 53 PHE CB C 13 38.3700 . . . . . . . . . . . 4090 1 530 . 1 1 53 53 PHE HD1 H 1 6.2500 . . . . . . . . . . . 4090 1 531 . 1 1 53 53 PHE CD1 C 13 131.4000 . . . . . . . . . . . 4090 1 532 . 1 1 53 53 PHE HE1 H 1 7.1200 . . . . . . . . . . . 4090 1 533 . 1 1 53 53 PHE CE1 C 13 131.0000 . . . . . . . . . . . 4090 1 534 . 1 1 53 53 PHE HZ H 1 7.1800 . . . . . . . . . . . 4090 1 535 . 1 1 53 53 PHE CZ C 13 131.0000 . . . . . . . . . . . 4090 1 536 . 1 1 54 54 ARG H H 1 7.7200 . . . . . . . . . . . 4090 1 537 . 1 1 54 54 ARG N N 15 117.9800 . . . . . . . . . . . 4090 1 538 . 1 1 54 54 ARG HA H 1 3.8900 . . . . . . . . . . . 4090 1 539 . 1 1 54 54 ARG CA C 13 59.2900 . . . . . . . . . . . 4090 1 540 . 1 1 54 54 ARG HB3 H 1 1.9100 . . . . . . . . . . . 4090 1 541 . 1 1 54 54 ARG CB C 13 29.7900 . . . . . . . . . . . 4090 1 542 . 1 1 54 54 ARG HG3 H 1 1.6500 . . . . . . . . . . . 4090 1 543 . 1 1 54 54 ARG HG2 H 1 1.8500 . . . . . . . . . . . 4090 1 544 . 1 1 54 54 ARG CG C 13 27.7500 . . . . . . . . . . . 4090 1 545 . 1 1 54 54 ARG HD3 H 1 3.2200 . . . . . . . . . . . 4090 1 546 . 1 1 54 54 ARG CD C 13 43.4500 . . . . . . . . . . . 4090 1 547 . 1 1 55 55 ARG H H 1 7.5600 . . . . . . . . . . . 4090 1 548 . 1 1 55 55 ARG N N 15 117.2200 . . . . . . . . . . . 4090 1 549 . 1 1 55 55 ARG HA H 1 4.0100 . . . . . . . . . . . 4090 1 550 . 1 1 55 55 ARG CA C 13 58.8600 . . . . . . . . . . . 4090 1 551 . 1 1 55 55 ARG HB3 H 1 1.8900 . . . . . . . . . . . 4090 1 552 . 1 1 55 55 ARG CB C 13 29.8200 . . . . . . . . . . . 4090 1 553 . 1 1 55 55 ARG HG3 H 1 1.4200 . . . . . . . . . . . 4090 1 554 . 1 1 55 55 ARG CG C 13 27.1500 . . . . . . . . . . . 4090 1 555 . 1 1 56 56 ILE H H 1 7.8600 . . . . . . . . . . . 4090 1 556 . 1 1 56 56 ILE N N 15 121.2200 . . . . . . . . . . . 4090 1 557 . 1 1 56 56 ILE HA H 1 3.9100 . . . . . . . . . . . 4090 1 558 . 1 1 56 56 ILE CA C 13 62.8100 . . . . . . . . . . . 4090 1 559 . 1 1 56 56 ILE HB H 1 1.9000 . . . . . . . . . . . 4090 1 560 . 1 1 56 56 ILE CB C 13 36.2600 . . . . . . . . . . . 4090 1 561 . 1 1 56 56 ILE HG21 H 1 0.5300 . . . . . . . . . . . 4090 1 562 . 1 1 56 56 ILE HG22 H 1 0.5300 . . . . . . . . . . . 4090 1 563 . 1 1 56 56 ILE HG23 H 1 0.5300 . . . . . . . . . . . 4090 1 564 . 1 1 56 56 ILE CG2 C 13 17.6400 . . . . . . . . . . . 4090 1 565 . 1 1 56 56 ILE HG13 H 1 1.4600 . . . . . . . . . . . 4090 1 566 . 1 1 56 56 ILE CG1 C 13 29.1500 . . . . . . . . . . . 4090 1 567 . 1 1 56 56 ILE HD11 H 1 0.5400 . . . . . . . . . . . 4090 1 568 . 1 1 56 56 ILE HD12 H 1 0.5400 . . . . . . . . . . . 4090 1 569 . 1 1 56 56 ILE HD13 H 1 0.5400 . . . . . . . . . . . 4090 1 570 . 1 1 56 56 ILE CD1 C 13 11.5100 . . . . . . . . . . . 4090 1 571 . 1 1 57 57 GLN H H 1 7.9300 . . . . . . . . . . . 4090 1 572 . 1 1 57 57 GLN N N 15 118.5100 . . . . . . . . . . . 4090 1 573 . 1 1 57 57 GLN HA H 1 3.9000 . . . . . . . . . . . 4090 1 574 . 1 1 57 57 GLN CA C 13 58.1700 . . . . . . . . . . . 4090 1 575 . 1 1 57 57 GLN HB3 H 1 1.8900 . . . . . . . . . . . 4090 1 576 . 1 1 57 57 GLN CB C 13 29.0100 . . . . . . . . . . . 4090 1 577 . 1 1 57 57 GLN HG3 H 1 1.7500 . . . . . . . . . . . 4090 1 578 . 1 1 57 57 GLN CG C 13 34.4800 . . . . . . . . . . . 4090 1 579 . 1 1 57 57 GLN HE21 H 1 6.6500 . . . . . . . . . . . 4090 1 580 . 1 1 57 57 GLN HE22 H 1 6.7200 . . . . . . . . . . . 4090 1 581 . 1 1 57 57 GLN NE2 N 15 112.4500 . . . . . . . . . . . 4090 1 582 . 1 1 58 58 GLN H H 1 7.3700 . . . . . . . . . . . 4090 1 583 . 1 1 58 58 GLN N N 15 115.5100 . . . . . . . . . . . 4090 1 584 . 1 1 58 58 GLN HA H 1 4.2100 . . . . . . . . . . . 4090 1 585 . 1 1 58 58 GLN CA C 13 56.5600 . . . . . . . . . . . 4090 1 586 . 1 1 58 58 GLN HB3 H 1 2.1800 . . . . . . . . . . . 4090 1 587 . 1 1 58 58 GLN CB C 13 28.9600 . . . . . . . . . . . 4090 1 588 . 1 1 58 58 GLN HG3 H 1 2.3500 . . . . . . . . . . . 4090 1 589 . 1 1 58 58 GLN HG2 H 1 2.5500 . . . . . . . . . . . 4090 1 590 . 1 1 58 58 GLN CG C 13 34.4200 . . . . . . . . . . . 4090 1 591 . 1 1 58 58 GLN HE21 H 1 6.7200 . . . . . . . . . . . 4090 1 592 . 1 1 58 58 GLN HE22 H 1 7.3600 . . . . . . . . . . . 4090 1 593 . 1 1 58 58 GLN NE2 N 15 111.2000 . . . . . . . . . . . 4090 1 594 . 1 1 59 59 LEU H H 1 7.4400 . . . . . . . . . . . 4090 1 595 . 1 1 59 59 LEU N N 15 120.7800 . . . . . . . . . . . 4090 1 596 . 1 1 59 59 LEU HA H 1 4.2100 . . . . . . . . . . . 4090 1 597 . 1 1 59 59 LEU CA C 13 56.0600 . . . . . . . . . . . 4090 1 598 . 1 1 59 59 LEU HB3 H 1 1.5700 . . . . . . . . . . . 4090 1 599 . 1 1 59 59 LEU HB2 H 1 1.9000 . . . . . . . . . . . 4090 1 600 . 1 1 59 59 LEU CB C 13 42.8700 . . . . . . . . . . . 4090 1 601 . 1 1 59 59 LEU HG H 1 2.0300 . . . . . . . . . . . 4090 1 602 . 1 1 59 59 LEU CG C 13 27.1500 . . . . . . . . . . . 4090 1 603 . 1 1 59 59 LEU HD11 H 1 1.0180 . . . . . . . . . . . 4090 1 604 . 1 1 59 59 LEU HD12 H 1 1.0180 . . . . . . . . . . . 4090 1 605 . 1 1 59 59 LEU HD13 H 1 1.0180 . . . . . . . . . . . 4090 1 606 . 1 1 59 59 LEU CD1 C 13 23.8200 . . . . . . . . . . . 4090 1 607 . 1 1 59 59 LEU HD21 H 1 1.0600 . . . . . . . . . . . 4090 1 608 . 1 1 59 59 LEU HD22 H 1 1.0600 . . . . . . . . . . . 4090 1 609 . 1 1 59 59 LEU HD23 H 1 1.0600 . . . . . . . . . . . 4090 1 610 . 1 1 59 59 LEU CD2 C 13 25.9600 . . . . . . . . . . . 4090 1 611 . 1 1 60 60 ASP H H 1 8.3500 . . . . . . . . . . . 4090 1 612 . 1 1 60 60 ASP N N 15 120.8200 . . . . . . . . . . . 4090 1 613 . 1 1 60 60 ASP HA H 1 4.4300 . . . . . . . . . . . 4090 1 614 . 1 1 60 60 ASP CA C 13 55.5900 . . . . . . . . . . . 4090 1 615 . 1 1 60 60 ASP HB3 H 1 2.7300 . . . . . . . . . . . 4090 1 616 . 1 1 60 60 ASP CB C 13 41.7300 . . . . . . . . . . . 4090 1 617 . 1 1 61 61 GLU H H 1 8.5800 . . . . . . . . . . . 4090 1 618 . 1 1 61 61 GLU N N 15 124.6000 . . . . . . . . . . . 4090 1 619 . 1 1 61 61 GLU HA H 1 3.9900 . . . . . . . . . . . 4090 1 620 . 1 1 61 61 GLU CA C 13 59.3600 . . . . . . . . . . . 4090 1 621 . 1 1 61 61 GLU HB3 H 1 2.0400 . . . . . . . . . . . 4090 1 622 . 1 1 61 61 GLU HB2 H 1 2.1000 . . . . . . . . . . . 4090 1 623 . 1 1 61 61 GLU CB C 13 29.9100 . . . . . . . . . . . 4090 1 624 . 1 1 61 61 GLU HG3 H 1 2.3000 . . . . . . . . . . . 4090 1 625 . 1 1 61 61 GLU HG2 H 1 2.3700 . . . . . . . . . . . 4090 1 626 . 1 1 61 61 GLU CG C 13 36.3600 . . . . . . . . . . . 4090 1 627 . 1 1 62 62 ALA H H 1 8.1400 . . . . . . . . . . . 4090 1 628 . 1 1 62 62 ALA N N 15 120.1600 . . . . . . . . . . . 4090 1 629 . 1 1 62 62 ALA HA H 1 4.1400 . . . . . . . . . . . 4090 1 630 . 1 1 62 62 ALA CA C 13 54.4900 . . . . . . . . . . . 4090 1 631 . 1 1 62 62 ALA HB1 H 1 1.4700 . . . . . . . . . . . 4090 1 632 . 1 1 62 62 ALA HB2 H 1 1.4700 . . . . . . . . . . . 4090 1 633 . 1 1 62 62 ALA HB3 H 1 1.4700 . . . . . . . . . . . 4090 1 634 . 1 1 62 62 ALA CB C 13 18.4600 . . . . . . . . . . . 4090 1 635 . 1 1 63 63 MET H H 1 7.8200 . . . . . . . . . . . 4090 1 636 . 1 1 63 63 MET N N 15 118.2000 . . . . . . . . . . . 4090 1 637 . 1 1 63 63 MET HA H 1 4.1600 . . . . . . . . . . . 4090 1 638 . 1 1 63 63 MET CA C 13 57.6200 . . . . . . . . . . . 4090 1 639 . 1 1 63 63 MET HB3 H 1 2.1300 . . . . . . . . . . . 4090 1 640 . 1 1 63 63 MET CB C 13 32.3400 . . . . . . . . . . . 4090 1 641 . 1 1 63 63 MET CE C 13 17.2000 . . . . . . . . . . . 4090 1 642 . 1 1 63 63 MET HE1 H 1 2.0800 . . . . . . . . . . . 4090 1 643 . 1 1 63 63 MET HE2 H 1 2.0800 . . . . . . . . . . . 4090 1 644 . 1 1 63 63 MET HE3 H 1 2.0800 . . . . . . . . . . . 4090 1 645 . 1 1 64 64 VAL H H 1 7.8600 . . . . . . . . . . . 4090 1 646 . 1 1 64 64 VAL N N 15 120.2300 . . . . . . . . . . . 4090 1 647 . 1 1 64 64 VAL HA H 1 3.6200 . . . . . . . . . . . 4090 1 648 . 1 1 64 64 VAL CA C 13 66.0300 . . . . . . . . . . . 4090 1 649 . 1 1 64 64 VAL HB H 1 2.1700 . . . . . . . . . . . 4090 1 650 . 1 1 64 64 VAL CB C 13 32.1400 . . . . . . . . . . . 4090 1 651 . 1 1 64 64 VAL HG11 H 1 0.9300 . . . . . . . . . . . 4090 1 652 . 1 1 64 64 VAL HG12 H 1 0.9300 . . . . . . . . . . . 4090 1 653 . 1 1 64 64 VAL HG13 H 1 0.9300 . . . . . . . . . . . 4090 1 654 . 1 1 64 64 VAL CG1 C 13 21.5300 . . . . . . . . . . . 4090 1 655 . 1 1 64 64 VAL HG21 H 1 1.0500 . . . . . . . . . . . 4090 1 656 . 1 1 64 64 VAL HG22 H 1 1.0500 . . . . . . . . . . . 4090 1 657 . 1 1 64 64 VAL HG23 H 1 1.0500 . . . . . . . . . . . 4090 1 658 . 1 1 64 64 VAL CG2 C 13 22.8400 . . . . . . . . . . . 4090 1 659 . 1 1 65 65 VAL H H 1 8.1100 . . . . . . . . . . . 4090 1 660 . 1 1 65 65 VAL N N 15 119.2700 . . . . . . . . . . . 4090 1 661 . 1 1 65 65 VAL HA H 1 3.7700 . . . . . . . . . . . 4090 1 662 . 1 1 65 65 VAL CA C 13 65.2600 . . . . . . . . . . . 4090 1 663 . 1 1 65 65 VAL HB H 1 2.0500 . . . . . . . . . . . 4090 1 664 . 1 1 65 65 VAL CB C 13 32.2000 . . . . . . . . . . . 4090 1 665 . 1 1 65 65 VAL HG11 H 1 0.9100 . . . . . . . . . . . 4090 1 666 . 1 1 65 65 VAL HG12 H 1 0.9100 . . . . . . . . . . . 4090 1 667 . 1 1 65 65 VAL HG13 H 1 0.9100 . . . . . . . . . . . 4090 1 668 . 1 1 65 65 VAL CG1 C 13 21.3400 . . . . . . . . . . . 4090 1 669 . 1 1 65 65 VAL HG21 H 1 1.0300 . . . . . . . . . . . 4090 1 670 . 1 1 65 65 VAL HG22 H 1 1.0300 . . . . . . . . . . . 4090 1 671 . 1 1 65 65 VAL HG23 H 1 1.0300 . . . . . . . . . . . 4090 1 672 . 1 1 65 65 VAL CG2 C 13 22.3200 . . . . . . . . . . . 4090 1 673 . 1 1 66 66 ALA H H 1 7.8900 . . . . . . . . . . . 4090 1 674 . 1 1 66 66 ALA N N 15 122.2000 . . . . . . . . . . . 4090 1 675 . 1 1 66 66 ALA HA H 1 4.1700 . . . . . . . . . . . 4090 1 676 . 1 1 66 66 ALA CA C 13 54.4100 . . . . . . . . . . . 4090 1 677 . 1 1 66 66 ALA HB1 H 1 1.4200 . . . . . . . . . . . 4090 1 678 . 1 1 66 66 ALA HB2 H 1 1.4200 . . . . . . . . . . . 4090 1 679 . 1 1 66 66 ALA HB3 H 1 1.4200 . . . . . . . . . . . 4090 1 680 . 1 1 66 66 ALA CB C 13 18.9000 . . . . . . . . . . . 4090 1 681 . 1 1 67 67 CYS H H 1 7.9900 . . . . . . . . . . . 4090 1 682 . 1 1 67 67 CYS N N 15 114.7300 . . . . . . . . . . . 4090 1 683 . 1 1 67 67 CYS HA H 1 4.3000 . . . . . . . . . . . 4090 1 684 . 1 1 67 67 CYS CA C 13 61.1500 . . . . . . . . . . . 4090 1 685 . 1 1 67 67 CYS HB3 H 1 2.7800 . . . . . . . . . . . 4090 1 686 . 1 1 67 67 CYS HB2 H 1 2.8600 . . . . . . . . . . . 4090 1 687 . 1 1 67 67 CYS CB C 13 28.5000 . . . . . . . . . . . 4090 1 688 . 1 1 68 68 ARG H H 1 8.0000 . . . . . . . . . . . 4090 1 689 . 1 1 68 68 ARG N N 15 118.9700 . . . . . . . . . . . 4090 1 690 . 1 1 68 68 ARG HA H 1 4.2000 . . . . . . . . . . . 4090 1 691 . 1 1 68 68 ARG CA C 13 56.9100 . . . . . . . . . . . 4090 1 692 . 1 1 68 68 ARG HB3 H 1 1.6900 . . . . . . . . . . . 4090 1 693 . 1 1 68 68 ARG HB2 H 1 1.8700 . . . . . . . . . . . 4090 1 694 . 1 1 68 68 ARG CB C 13 31.3300 . . . . . . . . . . . 4090 1 695 . 1 1 68 68 ARG HG3 H 1 1.6200 . . . . . . . . . . . 4090 1 696 . 1 1 68 68 ARG CG C 13 49.3900 . . . . . . . . . . . 4090 1 697 . 1 1 69 69 GLU H H 1 8.1600 . . . . . . . . . . . 4090 1 698 . 1 1 69 69 GLU N N 15 117.9200 . . . . . . . . . . . 4090 1 699 . 1 1 69 69 GLU HA H 1 4.3200 . . . . . . . . . . . 4090 1 700 . 1 1 69 69 GLU CA C 13 56.8500 . . . . . . . . . . . 4090 1 701 . 1 1 69 69 GLU HB3 H 1 2.0000 . . . . . . . . . . . 4090 1 702 . 1 1 69 69 GLU HB2 H 1 2.1200 . . . . . . . . . . . 4090 1 703 . 1 1 69 69 GLU CB C 13 30.1800 . . . . . . . . . . . 4090 1 704 . 1 1 69 69 GLU HG3 H 1 2.3000 . . . . . . . . . . . 4090 1 705 . 1 1 69 69 GLU CG C 13 36.2500 . . . . . . . . . . . 4090 1 706 . 1 1 70 70 GLY H H 1 8.0800 . . . . . . . . . . . 4090 1 707 . 1 1 70 70 GLY N N 15 107.9800 . . . . . . . . . . . 4090 1 708 . 1 1 70 70 GLY CA C 13 45.4300 . . . . . . . . . . . 4090 1 709 . 1 1 70 70 GLY HA3 H 1 3.9100 . . . . . . . . . . . 4090 1 710 . 1 1 70 70 GLY HA2 H 1 4.0300 . . . . . . . . . . . 4090 1 711 . 1 1 71 71 GLU H H 1 8.2200 . . . . . . . . . . . 4090 1 712 . 1 1 71 71 GLU N N 15 119.7500 . . . . . . . . . . . 4090 1 713 . 1 1 71 71 GLU HA H 1 4.2100 . . . . . . . . . . . 4090 1 714 . 1 1 71 71 GLU CA C 13 56.8500 . . . . . . . . . . . 4090 1 715 . 1 1 71 71 GLU HB3 H 1 1.8900 . . . . . . . . . . . 4090 1 716 . 1 1 71 71 GLU HB2 H 1 1.9900 . . . . . . . . . . . 4090 1 717 . 1 1 71 71 GLU CB C 13 30.4100 . . . . . . . . . . . 4090 1 718 . 1 1 71 71 GLU HG3 H 1 2.1900 . . . . . . . . . . . 4090 1 719 . 1 1 71 71 GLU CG C 13 36.3100 . . . . . . . . . . . 4090 1 720 . 1 1 72 72 HIS H H 1 8.3800 . . . . . . . . . . . 4090 1 721 . 1 1 72 72 HIS N N 15 119.1000 . . . . . . . . . . . 4090 1 722 . 1 1 72 72 HIS HA H 1 4.6600 . . . . . . . . . . . 4090 1 723 . 1 1 72 72 HIS CA C 13 55.5900 . . . . . . . . . . . 4090 1 724 . 1 1 72 72 HIS HB3 H 1 3.1000 . . . . . . . . . . . 4090 1 725 . 1 1 72 72 HIS HB2 H 1 3.2100 . . . . . . . . . . . 4090 1 726 . 1 1 72 72 HIS CB C 13 29.8700 . . . . . . . . . . . 4090 1 727 . 1 1 73 73 ALA H H 1 8.2100 . . . . . . . . . . . 4090 1 728 . 1 1 73 73 ALA N N 15 124.4000 . . . . . . . . . . . 4090 1 729 . 1 1 73 73 ALA HA H 1 4.3100 . . . . . . . . . . . 4090 1 730 . 1 1 73 73 ALA CA C 13 52.7100 . . . . . . . . . . . 4090 1 731 . 1 1 73 73 ALA HB1 H 1 1.3700 . . . . . . . . . . . 4090 1 732 . 1 1 73 73 ALA HB2 H 1 1.3700 . . . . . . . . . . . 4090 1 733 . 1 1 73 73 ALA HB3 H 1 1.3700 . . . . . . . . . . . 4090 1 734 . 1 1 73 73 ALA CB C 13 19.6100 . . . . . . . . . . . 4090 1 735 . 1 1 74 74 LEU H H 1 8.2400 . . . . . . . . . . . 4090 1 736 . 1 1 74 74 LEU N N 15 121.3800 . . . . . . . . . . . 4090 1 737 . 1 1 74 74 LEU HA H 1 4.3300 . . . . . . . . . . . 4090 1 738 . 1 1 74 74 LEU CA C 13 55.3700 . . . . . . . . . . . 4090 1 739 . 1 1 74 74 LEU HB3 H 1 1.6200 . . . . . . . . . . . 4090 1 740 . 1 1 74 74 LEU CB C 13 42.3500 . . . . . . . . . . . 4090 1 741 . 1 1 74 74 LEU HG H 1 1.6400 . . . . . . . . . . . 4090 1 742 . 1 1 74 74 LEU CG C 13 27.1100 . . . . . . . . . . . 4090 1 743 . 1 1 74 74 LEU HD11 H 1 0.8700 . . . . . . . . . . . 4090 1 744 . 1 1 74 74 LEU HD12 H 1 0.8700 . . . . . . . . . . . 4090 1 745 . 1 1 74 74 LEU HD13 H 1 0.8700 . . . . . . . . . . . 4090 1 746 . 1 1 74 74 LEU CD1 C 13 23.5700 . . . . . . . . . . . 4090 1 747 . 1 1 74 74 LEU HD21 H 1 0.9200 . . . . . . . . . . . 4090 1 748 . 1 1 74 74 LEU HD22 H 1 0.9200 . . . . . . . . . . . 4090 1 749 . 1 1 74 74 LEU HD23 H 1 0.9200 . . . . . . . . . . . 4090 1 750 . 1 1 74 74 LEU CD2 C 13 25.0500 . . . . . . . . . . . 4090 1 751 . 1 1 75 75 MET H H 1 7.7700 . . . . . . . . . . . 4090 1 752 . 1 1 75 75 MET N N 15 125.3200 . . . . . . . . . . . 4090 1 753 . 1 1 75 75 MET HA H 1 4.2500 . . . . . . . . . . . 4090 1 754 . 1 1 75 75 MET CA C 13 57.0800 . . . . . . . . . . . 4090 1 755 . 1 1 75 75 MET HB3 H 1 1.9000 . . . . . . . . . . . 4090 1 756 . 1 1 75 75 MET HB2 H 1 2.0600 . . . . . . . . . . . 4090 1 757 . 1 1 75 75 MET CB C 13 34.0900 . . . . . . . . . . . 4090 1 758 . 1 1 75 75 MET HG3 H 1 2.4800 . . . . . . . . . . . 4090 1 759 . 1 1 75 75 MET CG C 13 32.2100 . . . . . . . . . . . 4090 1 stop_ save_