data_7401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7401 _Entry.Title ; Full-sequence computational design and solution structure of a thermostable protein variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-30 _Entry.Accession_date 2007-09-04 _Entry.Last_release_date 2007-10-15 _Entry.Original_release_date 2007-10-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 P. Shah P. S. . 7401 2 G. Hom G. K. . 7401 3 S. Ross S. A. . 7401 4 J. Lassila J. K. . 7401 5 K. Crowhurst K. A. . 7401 6 S. Mayo S. L. . 7401 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'COMPUTATIONAL PROTEIN DESIGN' . 7401 'DE NOVO PROTEIN' . 7401 'ENGRAILED HOMEODOMAIN' . 7401 HELIX-TURN-HELIX . 7401 NMR . 7401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 7401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 7401 '15N chemical shifts' 132 7401 '1H chemical shifts' 745 7401 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 . . 2007-10-15 2007-08-30 original author . 7401 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2P6J 'BMRB Entry Tracking System' 7401 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17628593 _Citation.Full_citation . _Citation.Title ; Full-sequence Computational Design and Solution Structure of a Thermostable Protein Variant ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 372 _Citation.Journal_issue 1 _Citation.Journal_ASTM JMOBAK _Citation.Journal_ISSN 1089-8638 _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 1 _Citation.Page_last 6 _Citation.Year 2007 _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 P. Shah P. S. . 7401 1 2 G. Hom G. K. . 7401 1 3 S. Ross S. A. . 7401 1 4 J. Lassila J. K. . 7401 1 5 K. Crowhurst K. A. . 7401 1 6 S. Mayo S. L. . 7401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7401 _Assembly.ID 1 _Assembly.Name 'designed engrailed homeodomain variant UVF' _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 'designed engrailed homeodomain variant UVF' 1 $designed_engrailed_homeodomain_variant_UVF A . yes native no no . . . 7401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_designed_engrailed_homeodomain_variant_UVF _Entity.Sf_category entity _Entity.Sf_framecode designed_engrailed_homeodomain_variant_UVF _Entity.Entry_ID 7401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name designed_engrailed_homeodomain_variant_UVF _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 ; MKQWSENVEEKLKEFVKRHQ RITQEELHQYAQRLGLNEEA IRQFFEEFEQRK ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2P6J . "Full-Sequence Computational Design And Solution Structure Of A Thermostable Protein Variant" . . . . . 100.00 52 100.00 100.00 1.20e-26 . . . . 7401 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 . 7401 1 2 . LYS . 7401 1 3 . GLN . 7401 1 4 . TRP . 7401 1 5 . SER . 7401 1 6 . GLU . 7401 1 7 . ASN . 7401 1 8 . VAL . 7401 1 9 . GLU . 7401 1 10 . GLU . 7401 1 11 . LYS . 7401 1 12 . LEU . 7401 1 13 . LYS . 7401 1 14 . GLU . 7401 1 15 . PHE . 7401 1 16 . VAL . 7401 1 17 . LYS . 7401 1 18 . ARG . 7401 1 19 . HIS . 7401 1 20 . GLN . 7401 1 21 . ARG . 7401 1 22 . ILE . 7401 1 23 . THR . 7401 1 24 . GLN . 7401 1 25 . GLU . 7401 1 26 . GLU . 7401 1 27 . LEU . 7401 1 28 . HIS . 7401 1 29 . GLN . 7401 1 30 . TYR . 7401 1 31 . ALA . 7401 1 32 . GLN . 7401 1 33 . ARG . 7401 1 34 . LEU . 7401 1 35 . GLY . 7401 1 36 . LEU . 7401 1 37 . ASN . 7401 1 38 . GLU . 7401 1 39 . GLU . 7401 1 40 . ALA . 7401 1 41 . ILE . 7401 1 42 . ARG . 7401 1 43 . GLN . 7401 1 44 . PHE . 7401 1 45 . PHE . 7401 1 46 . GLU . 7401 1 47 . GLU . 7401 1 48 . PHE . 7401 1 49 . GLU . 7401 1 50 . GLN . 7401 1 51 . ARG . 7401 1 52 . LYS . 7401 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 7401 1 . LYS 2 2 7401 1 . GLN 3 3 7401 1 . TRP 4 4 7401 1 . SER 5 5 7401 1 . GLU 6 6 7401 1 . ASN 7 7 7401 1 . VAL 8 8 7401 1 . GLU 9 9 7401 1 . GLU 10 10 7401 1 . LYS 11 11 7401 1 . LEU 12 12 7401 1 . LYS 13 13 7401 1 . GLU 14 14 7401 1 . PHE 15 15 7401 1 . VAL 16 16 7401 1 . LYS 17 17 7401 1 . ARG 18 18 7401 1 . HIS 19 19 7401 1 . GLN 20 20 7401 1 . ARG 21 21 7401 1 . ILE 22 22 7401 1 . THR 23 23 7401 1 . GLN 24 24 7401 1 . GLU 25 25 7401 1 . GLU 26 26 7401 1 . LEU 27 27 7401 1 . HIS 28 28 7401 1 . GLN 29 29 7401 1 . TYR 30 30 7401 1 . ALA 31 31 7401 1 . GLN 32 32 7401 1 . ARG 33 33 7401 1 . LEU 34 34 7401 1 . GLY 35 35 7401 1 . LEU 36 36 7401 1 . ASN 37 37 7401 1 . GLU 38 38 7401 1 . GLU 39 39 7401 1 . ALA 40 40 7401 1 . ILE 41 41 7401 1 . ARG 42 42 7401 1 . GLN 43 43 7401 1 . PHE 44 44 7401 1 . PHE 45 45 7401 1 . GLU 46 46 7401 1 . GLU 47 47 7401 1 . PHE 48 48 7401 1 . GLU 49 49 7401 1 . GLN 50 50 7401 1 . ARG 51 51 7401 1 . LYS 52 52 7401 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 7401 _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 $designed_engrailed_homeodomain_variant_UVF . . organism . 'not applicable' . . . . . not applicable . . . . . . . . . . . . . . . . . . . . . 7401 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 7401 _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 $designed_engrailed_homeodomain_variant_UVF . 'recombinant technology' 'Escherichia coli' bacteria . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7401 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniform (random) labeling with 13C, 15N: U-13C, U-15N, 95% H2O, 5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'designed engrailed homeodomain variant UVF' '[U-13C; U-15N]' . . 1 $designed_engrailed_homeodomain_variant_UVF . . 1.0 . . mM . . . . 7401 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 7401 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 7401 1 4 D2O . . . . . . . 5 . . % . . . . 7401 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7401 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniform (random) labeling with 15N: U-15N, 95% H2O, 5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'designed engrailed homeodomain variant UVF' [U-15N] . . 1 $designed_engrailed_homeodomain_variant_UVF . . 1.0 . . mM . . . . 7401 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 7401 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 7401 2 4 D2O . . . . . . . 5 . . % . . . . 7401 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7401 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniform (random) labeling with 13C, 15N: U-13C, U-15N, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'designed engrailed homeodomain variant UVF' '[U-13C; U-15N]' . . 1 $designed_engrailed_homeodomain_variant_UVF . . 1.0 . . mM . . . . 7401 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 7401 3 3 D2O . . . . . . . 100 . . % . . . . 7401 3 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 7401 _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' 50 . mM 7401 1 pH 5.5 . pH 7401 1 pressure 1 . atm 7401 1 temperature 293 . K 7401 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7401 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID varian . . 7401 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7401 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7401 _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, F. et al.' . . 7401 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7401 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 7401 _Software.ID 3 _Software.Name NMRView _Software.Version 4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A. et al.' . . 7401 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7401 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 7401 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nilges, M. et al.' . . 7401 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7401 4 'structure solution' 7401 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 7401 _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 Varian INOVA . 600 . . . 7401 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 7401 _Experiment_list.ID 1 _Experiment_list.Details ; The structure was determined using triple-resonance NMR spectroscopy. Hydrogen bond restraints were derived from protection factors measured by H/D exchange. Torsion angle restraints were derived from J-coupling data (HNHA experiment) and from TALOS predictions. ; 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 'aliphatic 3D_13C-separated_NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7401 1 2 'aromatic 3D_13C-separated_NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7401 1 3 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7401 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 7401 _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 H2O protons . . . . ppm . . . . . . . . . . . . . 7401 1 H 1 H2O protons . . . . ppm . . . 1.0 . . . . . . . . . 7401 1 N 15 H2O protons . . . . ppm . . . . . . . . . . . . . 7401 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 7401 _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 'aliphatic 3D_13C-separated_NOESY' . . . 7401 1 2 'aromatic 3D_13C-separated_NOESY' . . . 7401 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.070 0.0 . . . . . . 1 MET HA . 7401 1 2 . 1 1 1 1 MET HB2 H 1 2.098 0.0 . . . . . . 1 MET QB . 7401 1 3 . 1 1 1 1 MET HB3 H 1 2.098 0.0 . . . . . . 1 MET QB . 7401 1 4 . 1 1 1 1 MET HE1 H 1 2.046 0.0 . . . . . . 1 MET HE . 7401 1 5 . 1 1 1 1 MET HE2 H 1 2.046 0.0 . . . . . . 1 MET HE . 7401 1 6 . 1 1 1 1 MET HE3 H 1 2.046 0.0 . . . . . . 1 MET HE . 7401 1 7 . 1 1 1 1 MET HG2 H 1 2.526 0.0 . . . . . . 1 MET QG . 7401 1 8 . 1 1 1 1 MET HG3 H 1 2.526 0.0 . . . . . . 1 MET QG . 7401 1 9 . 1 1 1 1 MET C C 13 172.249 0.0 . . . . . . 1 MET C . 7401 1 10 . 1 1 1 1 MET CA C 13 54.783 0.0 . . . . . . 1 MET CA . 7401 1 11 . 1 1 1 1 MET CB C 13 32.700 0.0 . . . . . . 1 MET CB . 7401 1 12 . 1 1 1 1 MET CE C 13 16.720 0.0 . . . . . . 1 MET CE . 7401 1 13 . 1 1 1 1 MET CG C 13 30.630 0.0 . . . . . . 1 MET CG . 7401 1 14 . 1 1 2 2 LYS HA H 1 4.103 0.0 . . . . . . 2 LYS HA . 7401 1 15 . 1 1 2 2 LYS HB2 H 1 1.495 0.0 . . . . . . 2 LYS HB1 . 7401 1 16 . 1 1 2 2 LYS HB3 H 1 1.369 0.0 . . . . . . 2 LYS HB2 . 7401 1 17 . 1 1 2 2 LYS HD2 H 1 1.550 0.0 . . . . . . 2 LYS QD . 7401 1 18 . 1 1 2 2 LYS HD3 H 1 1.550 0.0 . . . . . . 2 LYS QD . 7401 1 19 . 1 1 2 2 LYS HE2 H 1 2.874 0.0 . . . . . . 2 LYS QE . 7401 1 20 . 1 1 2 2 LYS HE3 H 1 2.874 0.0 . . . . . . 2 LYS QE . 7401 1 21 . 1 1 2 2 LYS HG2 H 1 1.222 0.0 . . . . . . 2 LYS QG . 7401 1 22 . 1 1 2 2 LYS HG3 H 1 1.222 0.0 . . . . . . 2 LYS QG . 7401 1 23 . 1 1 2 2 LYS C C 13 176.083 0.0 . . . . . . 2 LYS C . 7401 1 24 . 1 1 2 2 LYS CA C 13 56.02 0.0 . . . . . . 2 LYS CA . 7401 1 25 . 1 1 2 2 LYS CB C 13 32.875 0.0 . . . . . . 2 LYS CB . 7401 1 26 . 1 1 2 2 LYS CD C 13 29.070 0.0 . . . . . . 2 LYS CD . 7401 1 27 . 1 1 2 2 LYS CE C 13 41.694 0.0 . . . . . . 2 LYS CE . 7401 1 28 . 1 1 2 2 LYS CG C 13 24.64 0.0 . . . . . . 2 LYS CG . 7401 1 29 . 1 1 2 2 LYS N N 15 124.454 0.0 . . . . . . 2 LYS N . 7401 1 30 . 1 1 3 3 GLN HA H 1 4.193 0.0 . . . . . . 3 GLN HA . 7401 1 31 . 1 1 3 3 GLN HB2 H 1 2.078 0.0 . . . . . . 3 GLN HB1 . 7401 1 32 . 1 1 3 3 GLN HB3 H 1 1.750 0.0 . . . . . . 3 GLN HB2 . 7401 1 33 . 1 1 3 3 GLN HG2 H 1 2.212 0.0 . . . . . . 3 GLN QG . 7401 1 34 . 1 1 3 3 GLN HG3 H 1 2.212 0.0 . . . . . . 3 GLN QG . 7401 1 35 . 1 1 3 3 GLN C C 13 174.705 0.0 . . . . . . 3 GLN C . 7401 1 36 . 1 1 3 3 GLN CA C 13 55.763 0.0 . . . . . . 3 GLN CA . 7401 1 37 . 1 1 3 3 GLN CB C 13 29.189 0.0 . . . . . . 3 GLN CB . 7401 1 38 . 1 1 3 3 GLN CG C 13 33.909 0.0 . . . . . . 3 GLN CG . 7401 1 39 . 1 1 3 3 GLN N N 15 121.385 0.0 . . . . . . 3 GLN N . 7401 1 40 . 1 1 3 3 GLN NE2 N 15 111.767 0.0 . . . . . . 3 GLN NE2 . 7401 1 41 . 1 1 4 4 TRP HA H 1 4.764 0.0 . . . . . . 4 TRP HA . 7401 1 42 . 1 1 4 4 TRP HB2 H 1 3.380 0.0 . . . . . . 4 TRP HB1 . 7401 1 43 . 1 1 4 4 TRP HB3 H 1 3.141 0.0 . . . . . . 4 TRP HB2 . 7401 1 44 . 1 1 4 4 TRP HD1 H 1 7.279 0.0 . . . . . . 4 TRP HD1 . 7401 1 45 . 1 1 4 4 TRP HE3 H 1 7.453 0.0 . . . . . . 4 TRP HE3 . 7401 1 46 . 1 1 4 4 TRP HH2 H 1 7.033 0.0 . . . . . . 4 TRP HH2 . 7401 1 47 . 1 1 4 4 TRP HZ2 H 1 7.419 0.0 . . . . . . 4 TRP HZ2 . 7401 1 48 . 1 1 4 4 TRP HZ3 H 1 7.080 0.0 . . . . . . 4 TRP HZ3 . 7401 1 49 . 1 1 4 4 TRP C C 13 175.314 0.0 . . . . . . 4 TRP C . 7401 1 50 . 1 1 4 4 TRP CA C 13 56.304 0.0 . . . . . . 4 TRP CA . 7401 1 51 . 1 1 4 4 TRP CB C 13 30.031 0.0 . . . . . . 4 TRP CB . 7401 1 52 . 1 1 4 4 TRP CD1 C 13 127.221 0.0 . . . . . . 4 TRP CD1 . 7401 1 53 . 1 1 4 4 TRP CE3 C 13 120.447 0.0 . . . . . . 4 TRP CE3 . 7401 1 54 . 1 1 4 4 TRP CH2 C 13 123.940 0.0 . . . . . . 4 TRP CH2 . 7401 1 55 . 1 1 4 4 TRP CZ2 C 13 114.643 0.0 . . . . . . 4 TRP CZ2 . 7401 1 56 . 1 1 4 4 TRP CZ3 C 13 121.894 0.0 . . . . . . 4 TRP CZ3 . 7401 1 57 . 1 1 4 4 TRP N N 15 118.965 0.0 . . . . . . 4 TRP N . 7401 1 58 . 1 1 4 4 TRP NE1 N 15 130.794 0.0 . . . . . . 4 TRP NE1 . 7401 1 59 . 1 1 5 5 SER HA H 1 4.412 0.0 . . . . . . 5 SER HA . 7401 1 60 . 1 1 5 5 SER HB2 H 1 4.167 0.0 . . . . . . 5 SER HB1 . 7401 1 61 . 1 1 5 5 SER HB3 H 1 3.934 0.0 . . . . . . 5 SER HB2 . 7401 1 62 . 1 1 5 5 SER C C 13 174.822 0.0 . . . . . . 5 SER C . 7401 1 63 . 1 1 5 5 SER CA C 13 57.659 0.0 . . . . . . 5 SER CA . 7401 1 64 . 1 1 5 5 SER CB C 13 64.560 0.0 . . . . . . 5 SER CB . 7401 1 65 . 1 1 5 5 SER N N 15 116.156 0.0 . . . . . . 5 SER N . 7401 1 66 . 1 1 6 6 GLU HA H 1 4.188 0.0 . . . . . . 6 GLU HA . 7401 1 67 . 1 1 6 6 GLU HB2 H 1 2.065 0.0 . . . . . . 6 GLU QB . 7401 1 68 . 1 1 6 6 GLU HB3 H 1 2.065 0.0 . . . . . . 6 GLU QB . 7401 1 69 . 1 1 6 6 GLU HG2 H 1 2.358 0.0 . . . . . . 6 GLU QG . 7401 1 70 . 1 1 6 6 GLU HG3 H 1 2.358 0.0 . . . . . . 6 GLU QG . 7401 1 71 . 1 1 6 6 GLU C C 13 177.898 0.0 . . . . . . 6 GLU C . 7401 1 72 . 1 1 6 6 GLU CA C 13 58.647 0.0 . . . . . . 6 GLU CA . 7401 1 73 . 1 1 6 6 GLU CB C 13 29.381 0.0 . . . . . . 6 GLU CB . 7401 1 74 . 1 1 6 6 GLU CG C 13 36.250 0.0 . . . . . . 6 GLU CG . 7401 1 75 . 1 1 6 6 GLU N N 15 122.252 0.0 . . . . . . 6 GLU N . 7401 1 76 . 1 1 7 7 ASN HA H 1 4.498 0.0 . . . . . . 7 ASN HA . 7401 1 77 . 1 1 7 7 ASN HB2 H 1 2.814 0.0 . . . . . . 7 ASN HB1 . 7401 1 78 . 1 1 7 7 ASN HB3 H 1 2.751 0.0 . . . . . . 7 ASN HB2 . 7401 1 79 . 1 1 7 7 ASN C C 13 177.119 0.0 . . . . . . 7 ASN C . 7401 1 80 . 1 1 7 7 ASN CA C 13 55.562 0.0 . . . . . . 7 ASN CA . 7401 1 81 . 1 1 7 7 ASN CB C 13 38.411 0.0 . . . . . . 7 ASN CB . 7401 1 82 . 1 1 7 7 ASN N N 15 117.705 0.0 . . . . . . 7 ASN N . 7401 1 83 . 1 1 7 7 ASN ND2 N 15 113.057 0.0 . . . . . . 7 ASN ND2 . 7401 1 84 . 1 1 8 8 VAL HA H 1 3.522 0.0 . . . . . . 8 VAL HA . 7401 1 85 . 1 1 8 8 VAL HB H 1 2.108 0.0 . . . . . . 8 VAL HB . 7401 1 86 . 1 1 8 8 VAL HG11 H 1 0.649 0.0 . . . . . . 8 VAL HG1 . 7401 1 87 . 1 1 8 8 VAL HG12 H 1 0.649 0.0 . . . . . . 8 VAL HG1 . 7401 1 88 . 1 1 8 8 VAL HG13 H 1 0.649 0.0 . . . . . . 8 VAL HG1 . 7401 1 89 . 1 1 8 8 VAL HG21 H 1 0.961 0.0 . . . . . . 8 VAL HG2 . 7401 1 90 . 1 1 8 8 VAL HG22 H 1 0.961 0.0 . . . . . . 8 VAL HG2 . 7401 1 91 . 1 1 8 8 VAL HG23 H 1 0.961 0.0 . . . . . . 8 VAL HG2 . 7401 1 92 . 1 1 8 8 VAL C C 13 176.875 0.0 . . . . . . 8 VAL C . 7401 1 93 . 1 1 8 8 VAL CA C 13 66.242 0.0 . . . . . . 8 VAL CA . 7401 1 94 . 1 1 8 8 VAL CB C 13 31.54 0.0 . . . . . . 8 VAL CB . 7401 1 95 . 1 1 8 8 VAL CG1 C 13 21.589 0.0 . . . . . . 8 VAL CG1 . 7401 1 96 . 1 1 8 8 VAL CG2 C 13 23.086 0.0 . . . . . . 8 VAL CG2 . 7401 1 97 . 1 1 8 8 VAL N N 15 120.856 0.0 . . . . . . 8 VAL N . 7401 1 98 . 1 1 9 9 GLU HA H 1 3.639 0.0 . . . . . . 9 GLU HA . 7401 1 99 . 1 1 9 9 GLU HB2 H 1 2.260 0.0 . . . . . . 9 GLU QB . 7401 1 100 . 1 1 9 9 GLU HB3 H 1 2.260 0.0 . . . . . . 9 GLU QB . 7401 1 101 . 1 1 9 9 GLU HG2 H 1 2.296 0.0 . . . . . . 9 GLU QG . 7401 1 102 . 1 1 9 9 GLU HG3 H 1 2.296 0.0 . . . . . . 9 GLU QG . 7401 1 103 . 1 1 9 9 GLU C C 13 178.193 0.0 . . . . . . 9 GLU C . 7401 1 104 . 1 1 9 9 GLU CA C 13 60.060 0.0 . . . . . . 9 GLU CA . 7401 1 105 . 1 1 9 9 GLU CB C 13 29.202 0.0 . . . . . . 9 GLU CB . 7401 1 106 . 1 1 9 9 GLU CG C 13 36.618 0.0 . . . . . . 9 GLU CG . 7401 1 107 . 1 1 9 9 GLU N N 15 120.715 0.0 . . . . . . 9 GLU N . 7401 1 108 . 1 1 10 10 GLU HA H 1 3.998 0.0 . . . . . . 10 GLU HA . 7401 1 109 . 1 1 10 10 GLU HB2 H 1 2.121 0.0 . . . . . . 10 GLU QB . 7401 1 110 . 1 1 10 10 GLU HB3 H 1 2.121 0.0 . . . . . . 10 GLU QB . 7401 1 111 . 1 1 10 10 GLU HG2 H 1 2.390 0.0 . . . . . . 10 GLU HG1 . 7401 1 112 . 1 1 10 10 GLU HG3 H 1 2.390 0.0 . . . . . . 10 GLU HG2 . 7401 1 113 . 1 1 10 10 GLU C C 13 179.299 0.0 . . . . . . 10 GLU C . 7401 1 114 . 1 1 10 10 GLU CA C 13 59.136 0.0 . . . . . . 10 GLU CA . 7401 1 115 . 1 1 10 10 GLU CB C 13 29.148 0.0 . . . . . . 10 GLU CB . 7401 1 116 . 1 1 10 10 GLU CG C 13 35.911 0.0 . . . . . . 10 GLU CG . 7401 1 117 . 1 1 10 10 GLU N N 15 117.601 0.0 . . . . . . 10 GLU N . 7401 1 118 . 1 1 11 11 LYS HA H 1 4.087 0.0 . . . . . . 11 LYS HA . 7401 1 119 . 1 1 11 11 LYS HB2 H 1 1.940 0.0 . . . . . . 11 LYS HB1 . 7401 1 120 . 1 1 11 11 LYS HB3 H 1 1.910 0.0 . . . . . . 11 LYS HB2 . 7401 1 121 . 1 1 11 11 LYS HD2 H 1 1.550 0.0 . . . . . . 11 LYS QD . 7401 1 122 . 1 1 11 11 LYS HD3 H 1 1.550 0.0 . . . . . . 11 LYS QD . 7401 1 123 . 1 1 11 11 LYS HE2 H 1 2.945 0.0 . . . . . . 11 LYS QE . 7401 1 124 . 1 1 11 11 LYS HE3 H 1 2.945 0.0 . . . . . . 11 LYS QE . 7401 1 125 . 1 1 11 11 LYS HG2 H 1 1.609 0.0 . . . . . . 11 LYS HG1 . 7401 1 126 . 1 1 11 11 LYS HG3 H 1 1.490 0.0 . . . . . . 11 LYS HG2 . 7401 1 127 . 1 1 11 11 LYS C C 13 180.140 0.0 . . . . . . 11 LYS C . 7401 1 128 . 1 1 11 11 LYS CA C 13 59.084 0.0 . . . . . . 11 LYS CA . 7401 1 129 . 1 1 11 11 LYS CB C 13 32.279 0.0 . . . . . . 11 LYS CB . 7401 1 130 . 1 1 11 11 LYS CD C 13 29.204 0.0 . . . . . . 11 LYS CD . 7401 1 131 . 1 1 11 11 LYS CE C 13 41.925 0.0 . . . . . . 11 LYS CE . 7401 1 132 . 1 1 11 11 LYS CG C 13 25.476 0.0 . . . . . . 11 LYS CG . 7401 1 133 . 1 1 11 11 LYS N N 15 119.484 0.0 . . . . . . 11 LYS N . 7401 1 134 . 1 1 12 12 LEU HA H 1 4.003 0.0 . . . . . . 12 LEU HA . 7401 1 135 . 1 1 12 12 LEU HB2 H 1 1.405 0.0 . . . . . . 12 LEU HB1 . 7401 1 136 . 1 1 12 12 LEU HB3 H 1 1.007 0.0 . . . . . . 12 LEU HB2 . 7401 1 137 . 1 1 12 12 LEU HD11 H 1 0.253 0.0 . . . . . . 12 LEU HD1 . 7401 1 138 . 1 1 12 12 LEU HD12 H 1 0.253 0.0 . . . . . . 12 LEU HD1 . 7401 1 139 . 1 1 12 12 LEU HD13 H 1 0.253 0.0 . . . . . . 12 LEU HD1 . 7401 1 140 . 1 1 12 12 LEU HD21 H 1 -0.041 0.0 . . . . . . 12 LEU HD2 . 7401 1 141 . 1 1 12 12 LEU HD22 H 1 -0.041 0.0 . . . . . . 12 LEU HD2 . 7401 1 142 . 1 1 12 12 LEU HD23 H 1 -0.041 0.0 . . . . . . 12 LEU HD2 . 7401 1 143 . 1 1 12 12 LEU HG H 1 1.270 0.0 . . . . . . 12 LEU HG . 7401 1 144 . 1 1 12 12 LEU C C 13 178.395 0.0 . . . . . . 12 LEU C . 7401 1 145 . 1 1 12 12 LEU CA C 13 57.927 0.0 . . . . . . 12 LEU CA . 7401 1 146 . 1 1 12 12 LEU CB C 13 41.211 0.0 . . . . . . 12 LEU CB . 7401 1 147 . 1 1 12 12 LEU CD1 C 13 23.407 0.0 . . . . . . 12 LEU CD1 . 7401 1 148 . 1 1 12 12 LEU CD2 C 13 24.445 0.0 . . . . . . 12 LEU CD2 . 7401 1 149 . 1 1 12 12 LEU CG C 13 26.40 0.0 . . . . . . 12 LEU CG . 7401 1 150 . 1 1 12 12 LEU N N 15 121.629 0.0 . . . . . . 12 LEU N . 7401 1 151 . 1 1 13 13 LYS HA H 1 3.877 0.0 . . . . . . 13 LYS HA . 7401 1 152 . 1 1 13 13 LYS HB2 H 1 1.963 0.0 . . . . . . 13 LYS HB1 . 7401 1 153 . 1 1 13 13 LYS HB3 H 1 1.847 0.0 . . . . . . 13 LYS HB2 . 7401 1 154 . 1 1 13 13 LYS HD2 H 1 1.740 0.0 . . . . . . 13 LYS QD . 7401 1 155 . 1 1 13 13 LYS HD3 H 1 1.740 0.0 . . . . . . 13 LYS QD . 7401 1 156 . 1 1 13 13 LYS HE2 H 1 2.892 0.0 . . . . . . 13 LYS QE . 7401 1 157 . 1 1 13 13 LYS HE3 H 1 2.892 0.0 . . . . . . 13 LYS QE . 7401 1 158 . 1 1 13 13 LYS HG2 H 1 1.726 0.0 . . . . . . 13 LYS HG1 . 7401 1 159 . 1 1 13 13 LYS HG3 H 1 1.342 0.0 . . . . . . 13 LYS HG2 . 7401 1 160 . 1 1 13 13 LYS C C 13 179.394 0.0 . . . . . . 13 LYS C . 7401 1 161 . 1 1 13 13 LYS CA C 13 60.306 0.0 . . . . . . 13 LYS CA . 7401 1 162 . 1 1 13 13 LYS CB C 13 32.396 0.0 . . . . . . 13 LYS CB . 7401 1 163 . 1 1 13 13 LYS CD C 13 29.839 0.0 . . . . . . 13 LYS CD . 7401 1 164 . 1 1 13 13 LYS CE C 13 41.9 0.0 . . . . . . 13 LYS CE . 7401 1 165 . 1 1 13 13 LYS CG C 13 26.249 0.0 . . . . . . 13 LYS CG . 7401 1 166 . 1 1 13 13 LYS N N 15 118.621 0.0 . . . . . . 13 LYS N . 7401 1 167 . 1 1 14 14 GLU HA H 1 4.028 0.0 . . . . . . 14 GLU HA . 7401 1 168 . 1 1 14 14 GLU HB2 H 1 2.110 0.0 . . . . . . 14 GLU QB . 7401 1 169 . 1 1 14 14 GLU HB3 H 1 2.110 0.0 . . . . . . 14 GLU QB . 7401 1 170 . 1 1 14 14 GLU HG2 H 1 2.337 0.0 . . . . . . 14 GLU QG . 7401 1 171 . 1 1 14 14 GLU HG3 H 1 2.337 0.0 . . . . . . 14 GLU QG . 7401 1 172 . 1 1 14 14 GLU C C 13 177.980 0.0 . . . . . . 14 GLU C . 7401 1 173 . 1 1 14 14 GLU CA C 13 58.877 0.0 . . . . . . 14 GLU CA . 7401 1 174 . 1 1 14 14 GLU CB C 13 29.272 0.0 . . . . . . 14 GLU CB . 7401 1 175 . 1 1 14 14 GLU CG C 13 35.859 0.0 . . . . . . 14 GLU CG . 7401 1 176 . 1 1 14 14 GLU N N 15 119.195 0.0 . . . . . . 14 GLU N . 7401 1 177 . 1 1 15 15 PHE HA H 1 4.116 0.0 . . . . . . 15 PHE HA . 7401 1 178 . 1 1 15 15 PHE HB2 H 1 3.108 0.0 . . . . . . 15 PHE HB1 . 7401 1 179 . 1 1 15 15 PHE HB3 H 1 3.076 0.0 . . . . . . 15 PHE HB2 . 7401 1 180 . 1 1 15 15 PHE HD1 H 1 6.634 0.0 . . . . . . 15 PHE HD1 . 7401 1 181 . 1 1 15 15 PHE HD2 H 1 6.644 0.0 . . . . . . 15 PHE HD2 . 7401 1 182 . 1 1 15 15 PHE HE1 H 1 6.681 0.0 . . . . . . 15 PHE HE1 . 7401 1 183 . 1 1 15 15 PHE HE2 H 1 6.681 0.0 . . . . . . 15 PHE HE2 . 7401 1 184 . 1 1 15 15 PHE HZ H 1 6.632 0.0 . . . . . . 15 PHE HZ . 7401 1 185 . 1 1 15 15 PHE C C 13 178.967 0.0 . . . . . . 15 PHE C . 7401 1 186 . 1 1 15 15 PHE CA C 13 61.871 0.0 . . . . . . 15 PHE CA . 7401 1 187 . 1 1 15 15 PHE CB C 13 39.536 0.0 . . . . . . 15 PHE CB . 7401 1 188 . 1 1 15 15 PHE CD1 C 13 131.295 0.0 . . . . . . 15 PHE CD1 . 7401 1 189 . 1 1 15 15 PHE CD2 C 13 131.295 0.0 . . . . . . 15 PHE CD2 . 7401 1 190 . 1 1 15 15 PHE CE1 C 13 130.486 0.0 . . . . . . 15 PHE CE1 . 7401 1 191 . 1 1 15 15 PHE CE2 C 13 130.486 0.0 . . . . . . 15 PHE CE2 . 7401 1 192 . 1 1 15 15 PHE CZ C 13 128.847 0.0 . . . . . . 15 PHE CZ . 7401 1 193 . 1 1 15 15 PHE N N 15 120.395 0.0 . . . . . . 15 PHE N . 7401 1 194 . 1 1 16 16 VAL HA H 1 3.576 0.0 . . . . . . 16 VAL HA . 7401 1 195 . 1 1 16 16 VAL HB H 1 2.134 0.0 . . . . . . 16 VAL HB . 7401 1 196 . 1 1 16 16 VAL HG11 H 1 0.925 0.0 . . . . . . 16 VAL HG1 . 7401 1 197 . 1 1 16 16 VAL HG12 H 1 0.925 0.0 . . . . . . 16 VAL HG1 . 7401 1 198 . 1 1 16 16 VAL HG13 H 1 0.925 0.0 . . . . . . 16 VAL HG1 . 7401 1 199 . 1 1 16 16 VAL HG21 H 1 1.057 0.0 . . . . . . 16 VAL HG2 . 7401 1 200 . 1 1 16 16 VAL HG22 H 1 1.057 0.0 . . . . . . 16 VAL HG2 . 7401 1 201 . 1 1 16 16 VAL HG23 H 1 1.057 0.0 . . . . . . 16 VAL HG2 . 7401 1 202 . 1 1 16 16 VAL C C 13 177.758 0.0 . . . . . . 16 VAL C . 7401 1 203 . 1 1 16 16 VAL CA C 13 65.861 0.0 . . . . . . 16 VAL CA . 7401 1 204 . 1 1 16 16 VAL CB C 13 31.660 0.0 . . . . . . 16 VAL CB . 7401 1 205 . 1 1 16 16 VAL CG1 C 13 21.523 0.0 . . . . . . 16 VAL CG1 . 7401 1 206 . 1 1 16 16 VAL CG2 C 13 22.830 0.0 . . . . . . 16 VAL CG2 . 7401 1 207 . 1 1 16 16 VAL N N 15 118.358 0.0 . . . . . . 16 VAL N . 7401 1 208 . 1 1 17 17 LYS HA H 1 3.995 0.0 . . . . . . 17 LYS HA . 7401 1 209 . 1 1 17 17 LYS HB2 H 1 1.894 0.0 . . . . . . 17 LYS QB . 7401 1 210 . 1 1 17 17 LYS HB3 H 1 1.894 0.0 . . . . . . 17 LYS QB . 7401 1 211 . 1 1 17 17 LYS HD2 H 1 1.670 0.0 . . . . . . 17 LYS QD . 7401 1 212 . 1 1 17 17 LYS HD3 H 1 1.670 0.0 . . . . . . 17 LYS QD . 7401 1 213 . 1 1 17 17 LYS HE2 H 1 2.940 0.0 . . . . . . 17 LYS QE . 7401 1 214 . 1 1 17 17 LYS HE3 H 1 2.940 0.0 . . . . . . 17 LYS QE . 7401 1 215 . 1 1 17 17 LYS HG2 H 1 1.570 0.0 . . . . . . 17 LYS HG1 . 7401 1 216 . 1 1 17 17 LYS HG3 H 1 1.434 0.0 . . . . . . 17 LYS HG2 . 7401 1 217 . 1 1 17 17 LYS C C 13 178.125 0.0 . . . . . . 17 LYS C . 7401 1 218 . 1 1 17 17 LYS CA C 13 58.726 0.0 . . . . . . 17 LYS CA . 7401 1 219 . 1 1 17 17 LYS CB C 13 32.484 0.0 . . . . . . 17 LYS CB . 7401 1 220 . 1 1 17 17 LYS CD C 13 29.513 0.0 . . . . . . 17 LYS CD . 7401 1 221 . 1 1 17 17 LYS CE C 13 41.95 0.0 . . . . . . 17 LYS CE . 7401 1 222 . 1 1 17 17 LYS CG C 13 25.157 0.0 . . . . . . 17 LYS CG . 7401 1 223 . 1 1 17 17 LYS N N 15 119.329 0.0 . . . . . . 17 LYS N . 7401 1 224 . 1 1 18 18 ARG HA H 1 4.123 0.0 . . . . . . 18 ARG HA . 7401 1 225 . 1 1 18 18 ARG HB2 H 1 1.619 0.0 . . . . . . 18 ARG HB1 . 7401 1 226 . 1 1 18 18 ARG HB3 H 1 1.522 0.0 . . . . . . 18 ARG HB2 . 7401 1 227 . 1 1 18 18 ARG HD2 H 1 3.054 0.0 . . . . . . 18 ARG QD . 7401 1 228 . 1 1 18 18 ARG HD3 H 1 3.054 0.0 . . . . . . 18 ARG QD . 7401 1 229 . 1 1 18 18 ARG HG2 H 1 1.616 0.0 . . . . . . 18 ARG HG1 . 7401 1 230 . 1 1 18 18 ARG HG3 H 1 1.519 0.0 . . . . . . 18 ARG HG2 . 7401 1 231 . 1 1 18 18 ARG C C 13 175.673 0.0 . . . . . . 18 ARG C . 7401 1 232 . 1 1 18 18 ARG CA C 13 56.010 0.0 . . . . . . 18 ARG CA . 7401 1 233 . 1 1 18 18 ARG CB C 13 30.610 0.0 . . . . . . 18 ARG CB . 7401 1 234 . 1 1 18 18 ARG CD C 13 43.193 0.0 . . . . . . 18 ARG CD . 7401 1 235 . 1 1 18 18 ARG CG C 13 27.467 0.0 . . . . . . 18 ARG CG . 7401 1 236 . 1 1 18 18 ARG N N 15 114.952 0.0 . . . . . . 18 ARG N . 7401 1 237 . 1 1 18 18 ARG NE N 15 84.988 0.0 . . . . . . 18 ARG NE . 7401 1 238 . 1 1 19 19 HIS HA H 1 4.574 0.0 . . . . . . 19 HIS HA . 7401 1 239 . 1 1 19 19 HIS HB2 H 1 2.970 0.0 . . . . . . 19 HIS HB1 . 7401 1 240 . 1 1 19 19 HIS HB3 H 1 2.541 0.0 . . . . . . 19 HIS HB2 . 7401 1 241 . 1 1 19 19 HIS HD2 H 1 6.872 0.0 . . . . . . 19 HIS HD2 . 7401 1 242 . 1 1 19 19 HIS HE1 H 1 8.169 0.0 . . . . . . 19 HIS HE1 . 7401 1 243 . 1 1 19 19 HIS C C 13 173.395 0.0 . . . . . . 19 HIS C . 7401 1 244 . 1 1 19 19 HIS CA C 13 54.907 0.0 . . . . . . 19 HIS CA . 7401 1 245 . 1 1 19 19 HIS CB C 13 28.36 0.0 . . . . . . 19 HIS CB . 7401 1 246 . 1 1 19 19 HIS CD2 C 13 119.809 0.0 . . . . . . 19 HIS CD2 . 7401 1 247 . 1 1 19 19 HIS CE1 C 13 135.262 0.0 . . . . . . 19 HIS CE1 . 7401 1 248 . 1 1 19 19 HIS N N 15 118.364 0.0 . . . . . . 19 HIS N . 7401 1 249 . 1 1 20 20 GLN HA H 1 4.190 0.0 . . . . . . 20 GLN HA . 7401 1 250 . 1 1 20 20 GLN HB2 H 1 2.075 0.0 . . . . . . 20 GLN HB1 . 7401 1 251 . 1 1 20 20 GLN HB3 H 1 1.971 0.0 . . . . . . 20 GLN HB2 . 7401 1 252 . 1 1 20 20 GLN HG2 H 1 2.360 0.0 . . . . . . 20 GLN QG . 7401 1 253 . 1 1 20 20 GLN HG3 H 1 2.360 0.0 . . . . . . 20 GLN QG . 7401 1 254 . 1 1 20 20 GLN C C 13 176.511 0.0 . . . . . . 20 GLN C . 7401 1 255 . 1 1 20 20 GLN CA C 13 57.663 0.0 . . . . . . 20 GLN CA . 7401 1 256 . 1 1 20 20 GLN CB C 13 29.202 0.0 . . . . . . 20 GLN CB . 7401 1 257 . 1 1 20 20 GLN CG C 13 34.219 0.0 . . . . . . 20 GLN CG . 7401 1 258 . 1 1 20 20 GLN N N 15 119.849 0.0 . . . . . . 20 GLN N . 7401 1 259 . 1 1 20 20 GLN NE2 N 15 112.964 0.0 . . . . . . 20 GLN NE2 . 7401 1 260 . 1 1 21 21 ARG HA H 1 4.421 0.0 . . . . . . 21 ARG HA . 7401 1 261 . 1 1 21 21 ARG HB2 H 1 1.894 0.0 . . . . . . 21 ARG HB1 . 7401 1 262 . 1 1 21 21 ARG HB3 H 1 1.732 0.0 . . . . . . 21 ARG HB2 . 7401 1 263 . 1 1 21 21 ARG HD2 H 1 3.178 0.0 . . . . . . 21 ARG QD . 7401 1 264 . 1 1 21 21 ARG HD3 H 1 3.178 0.0 . . . . . . 21 ARG QD . 7401 1 265 . 1 1 21 21 ARG HG2 H 1 1.560 0.0 . . . . . . 21 ARG HG1 . 7401 1 266 . 1 1 21 21 ARG HG3 H 1 1.530 0.0 . . . . . . 21 ARG HG2 . 7401 1 267 . 1 1 21 21 ARG C C 13 175.494 0.0 . . . . . . 21 ARG C . 7401 1 268 . 1 1 21 21 ARG CA C 13 55.265 0.0 . . . . . . 21 ARG CA . 7401 1 269 . 1 1 21 21 ARG CB C 13 29.700 0.0 . . . . . . 21 ARG CB . 7401 1 270 . 1 1 21 21 ARG CD C 13 43.249 0.0 . . . . . . 21 ARG CD . 7401 1 271 . 1 1 21 21 ARG CG C 13 27.12 0.0 . . . . . . 21 ARG CG . 7401 1 272 . 1 1 21 21 ARG N N 15 118.830 0.0 . . . . . . 21 ARG N . 7401 1 273 . 1 1 21 21 ARG NE N 15 84.645 0.0 . . . . . . 21 ARG NE . 7401 1 274 . 1 1 22 22 ILE HA H 1 4.391 0.0 . . . . . . 22 ILE HA . 7401 1 275 . 1 1 22 22 ILE HB H 1 1.881 0.0 . . . . . . 22 ILE HB . 7401 1 276 . 1 1 22 22 ILE HD11 H 1 0.696 0.0 . . . . . . 22 ILE HD1 . 7401 1 277 . 1 1 22 22 ILE HD12 H 1 0.696 0.0 . . . . . . 22 ILE HD1 . 7401 1 278 . 1 1 22 22 ILE HD13 H 1 0.696 0.0 . . . . . . 22 ILE HD1 . 7401 1 279 . 1 1 22 22 ILE HG12 H 1 1.523 0.0 . . . . . . 22 ILE HG11 . 7401 1 280 . 1 1 22 22 ILE HG13 H 1 1.232 0.0 . . . . . . 22 ILE HG12 . 7401 1 281 . 1 1 22 22 ILE HG21 H 1 0.849 0.0 . . . . . . 22 ILE HG2 . 7401 1 282 . 1 1 22 22 ILE HG22 H 1 0.849 0.0 . . . . . . 22 ILE HG2 . 7401 1 283 . 1 1 22 22 ILE HG23 H 1 0.849 0.0 . . . . . . 22 ILE HG2 . 7401 1 284 . 1 1 22 22 ILE C C 13 175.243 0.0 . . . . . . 22 ILE C . 7401 1 285 . 1 1 22 22 ILE CA C 13 60.355 0.0 . . . . . . 22 ILE CA . 7401 1 286 . 1 1 22 22 ILE CB C 13 39.777 0.0 . . . . . . 22 ILE CB . 7401 1 287 . 1 1 22 22 ILE CD1 C 13 14.874 0.0 . . . . . . 22 ILE CD1 . 7401 1 288 . 1 1 22 22 ILE CG1 C 13 27.9 0.0 . . . . . . 22 ILE CG1 . 7401 1 289 . 1 1 22 22 ILE CG2 C 13 17.640 0.0 . . . . . . 22 ILE CG2 . 7401 1 290 . 1 1 22 22 ILE N N 15 122.192 0.0 . . . . . . 22 ILE N . 7401 1 291 . 1 1 23 23 THR HA H 1 4.615 0.0 . . . . . . 23 THR HA . 7401 1 292 . 1 1 23 23 THR HB H 1 4.715 0.0 . . . . . . 23 THR HB . 7401 1 293 . 1 1 23 23 THR HG21 H 1 1.325 0.0 . . . . . . 23 THR HG2 . 7401 1 294 . 1 1 23 23 THR HG22 H 1 1.325 0.0 . . . . . . 23 THR HG2 . 7401 1 295 . 1 1 23 23 THR HG23 H 1 1.325 0.0 . . . . . . 23 THR HG2 . 7401 1 296 . 1 1 23 23 THR C C 13 175.346 0.0 . . . . . . 23 THR C . 7401 1 297 . 1 1 23 23 THR CA C 13 60.160 0.0 . . . . . . 23 THR CA . 7401 1 298 . 1 1 23 23 THR CB C 13 71.388 0.0 . . . . . . 23 THR CB . 7401 1 299 . 1 1 23 23 THR CG2 C 13 21.655 0.0 . . . . . . 23 THR CG2 . 7401 1 300 . 1 1 23 23 THR N N 15 116.544 0.0 . . . . . . 23 THR N . 7401 1 301 . 1 1 24 24 GLN HA H 1 3.838 0.0 . . . . . . 24 GLN HA . 7401 1 302 . 1 1 24 24 GLN HB2 H 1 1.977 0.0 . . . . . . 24 GLN QB . 7401 1 303 . 1 1 24 24 GLN HB3 H 1 1.977 0.0 . . . . . . 24 GLN QB . 7401 1 304 . 1 1 24 24 GLN HG2 H 1 2.233 0.0 . . . . . . 24 GLN QG . 7401 1 305 . 1 1 24 24 GLN HG3 H 1 2.233 0.0 . . . . . . 24 GLN QG . 7401 1 306 . 1 1 24 24 GLN C C 13 178.403 0.0 . . . . . . 24 GLN C . 7401 1 307 . 1 1 24 24 GLN CA C 13 59.366 0.0 . . . . . . 24 GLN CA . 7401 1 308 . 1 1 24 24 GLN CB C 13 27.928 0.0 . . . . . . 24 GLN CB . 7401 1 309 . 1 1 24 24 GLN CG C 13 33.887 0.0 . . . . . . 24 GLN CG . 7401 1 310 . 1 1 24 24 GLN N N 15 121.425 0.0 . . . . . . 24 GLN N . 7401 1 311 . 1 1 24 24 GLN NE2 N 15 112.231 0.0 . . . . . . 24 GLN NE2 . 7401 1 312 . 1 1 25 25 GLU HA H 1 4.071 0.0 . . . . . . 25 GLU HA . 7401 1 313 . 1 1 25 25 GLU HB2 H 1 2.060 0.0 . . . . . . 25 GLU HB1 . 7401 1 314 . 1 1 25 25 GLU HB3 H 1 1.929 0.0 . . . . . . 25 GLU HB2 . 7401 1 315 . 1 1 25 25 GLU HG2 H 1 2.365 0.0 . . . . . . 25 GLU HG1 . 7401 1 316 . 1 1 25 25 GLU HG3 H 1 2.268 0.0 . . . . . . 25 GLU HG2 . 7401 1 317 . 1 1 25 25 GLU C C 13 179.068 0.0 . . . . . . 25 GLU C . 7401 1 318 . 1 1 25 25 GLU CA C 13 59.886 0.0 . . . . . . 25 GLU CA . 7401 1 319 . 1 1 25 25 GLU CB C 13 28.885 0.0 . . . . . . 25 GLU CB . 7401 1 320 . 1 1 25 25 GLU CG C 13 36.372 0.0 . . . . . . 25 GLU CG . 7401 1 321 . 1 1 25 25 GLU N N 15 119.131 0.0 . . . . . . 25 GLU N . 7401 1 322 . 1 1 26 26 GLU HA H 1 4.011 0.0 . . . . . . 26 GLU HA . 7401 1 323 . 1 1 26 26 GLU HB2 H 1 2.318 0.0 . . . . . . 26 GLU HB1 . 7401 1 324 . 1 1 26 26 GLU HB3 H 1 1.927 0.0 . . . . . . 26 GLU HB2 . 7401 1 325 . 1 1 26 26 GLU HG2 H 1 2.326 0.0 . . . . . . 26 GLU QG . 7401 1 326 . 1 1 26 26 GLU HG3 H 1 2.326 0.0 . . . . . . 26 GLU QG . 7401 1 327 . 1 1 26 26 GLU C C 13 179.745 0.0 . . . . . . 26 GLU C . 7401 1 328 . 1 1 26 26 GLU CA C 13 59.105 0.0 . . . . . . 26 GLU CA . 7401 1 329 . 1 1 26 26 GLU CB C 13 29.905 0.0 . . . . . . 26 GLU CB . 7401 1 330 . 1 1 26 26 GLU CG C 13 36.873 0.0 . . . . . . 26 GLU CG . 7401 1 331 . 1 1 26 26 GLU N N 15 120.177 0.0 . . . . . . 26 GLU N . 7401 1 332 . 1 1 27 27 LEU HA H 1 4.016 0.0 . . . . . . 27 LEU HA . 7401 1 333 . 1 1 27 27 LEU HB2 H 1 1.864 0.0 . . . . . . 27 LEU HB1 . 7401 1 334 . 1 1 27 27 LEU HB3 H 1 1.648 0.0 . . . . . . 27 LEU HB2 . 7401 1 335 . 1 1 27 27 LEU HD11 H 1 0.798 0.0 . . . . . . 27 LEU HD1 . 7401 1 336 . 1 1 27 27 LEU HD12 H 1 0.798 0.0 . . . . . . 27 LEU HD1 . 7401 1 337 . 1 1 27 27 LEU HD13 H 1 0.798 0.0 . . . . . . 27 LEU HD1 . 7401 1 338 . 1 1 27 27 LEU HD21 H 1 0.870 0.0 . . . . . . 27 LEU HD2 . 7401 1 339 . 1 1 27 27 LEU HD22 H 1 0.870 0.0 . . . . . . 27 LEU HD2 . 7401 1 340 . 1 1 27 27 LEU HD23 H 1 0.870 0.0 . . . . . . 27 LEU HD2 . 7401 1 341 . 1 1 27 27 LEU HG H 1 1.600 0.0 . . . . . . 27 LEU HG . 7401 1 342 . 1 1 27 27 LEU C C 13 177.931 0.0 . . . . . . 27 LEU C . 7401 1 343 . 1 1 27 27 LEU CA C 13 58.020 0.0 . . . . . . 27 LEU CA . 7401 1 344 . 1 1 27 27 LEU CB C 13 41.538 0.0 . . . . . . 27 LEU CB . 7401 1 345 . 1 1 27 27 LEU CD1 C 13 25.242 0.0 . . . . . . 27 LEU CD1 . 7401 1 346 . 1 1 27 27 LEU CD2 C 13 24.365 0.0 . . . . . . 27 LEU CD2 . 7401 1 347 . 1 1 27 27 LEU CG C 13 27.464 0.0 . . . . . . 27 LEU CG . 7401 1 348 . 1 1 27 27 LEU N N 15 121.600 0.0 . . . . . . 27 LEU N . 7401 1 349 . 1 1 28 28 HIS HA H 1 4.078 0.0 . . . . . . 28 HIS HA . 7401 1 350 . 1 1 28 28 HIS HB2 H 1 3.373 0.0 . . . . . . 28 HIS QB . 7401 1 351 . 1 1 28 28 HIS HB3 H 1 3.373 0.0 . . . . . . 28 HIS QB . 7401 1 352 . 1 1 28 28 HIS HD2 H 1 7.171 0.0 . . . . . . 28 HIS HD2 . 7401 1 353 . 1 1 28 28 HIS HE1 H 1 8.502 0.0 . . . . . . 28 HIS HE1 . 7401 1 354 . 1 1 28 28 HIS C C 13 176.898 0.0 . . . . . . 28 HIS C . 7401 1 355 . 1 1 28 28 HIS CA C 13 59.44 0.0 . . . . . . 28 HIS CA . 7401 1 356 . 1 1 28 28 HIS CB C 13 28.263 0.0 . . . . . . 28 HIS CB . 7401 1 357 . 1 1 28 28 HIS CD2 C 13 119.747 0.0 . . . . . . 28 HIS CD2 . 7401 1 358 . 1 1 28 28 HIS CE1 C 13 136.269 0.0 . . . . . . 28 HIS CE1 . 7401 1 359 . 1 1 28 28 HIS N N 15 117.889 0.0 . . . . . . 28 HIS N . 7401 1 360 . 1 1 29 29 GLN HA H 1 4.015 0.0 . . . . . . 29 GLN HA . 7401 1 361 . 1 1 29 29 GLN HB2 H 1 2.177 0.0 . . . . . . 29 GLN HB1 . 7401 1 362 . 1 1 29 29 GLN HB3 H 1 2.096 0.0 . . . . . . 29 GLN HB2 . 7401 1 363 . 1 1 29 29 GLN HG2 H 1 2.546 0.0 . . . . . . 29 GLN HG1 . 7401 1 364 . 1 1 29 29 GLN HG3 H 1 2.364 0.0 . . . . . . 29 GLN HG2 . 7401 1 365 . 1 1 29 29 GLN C C 13 178.391 0.0 . . . . . . 29 GLN C . 7401 1 366 . 1 1 29 29 GLN CA C 13 58.731 0.0 . . . . . . 29 GLN CA . 7401 1 367 . 1 1 29 29 GLN CB C 13 28.341 0.0 . . . . . . 29 GLN CB . 7401 1 368 . 1 1 29 29 GLN CG C 13 34.082 0.0 . . . . . . 29 GLN CG . 7401 1 369 . 1 1 29 29 GLN N N 15 117.611 0.0 . . . . . . 29 GLN N . 7401 1 370 . 1 1 29 29 GLN NE2 N 15 111.984 0.0 . . . . . . 29 GLN NE2 . 7401 1 371 . 1 1 30 30 TYR HA H 1 4.007 0.0 . . . . . . 30 TYR HA . 7401 1 372 . 1 1 30 30 TYR HB2 H 1 2.740 0.0 . . . . . . 30 TYR HB1 . 7401 1 373 . 1 1 30 30 TYR HB3 H 1 2.439 0.0 . . . . . . 30 TYR HB2 . 7401 1 374 . 1 1 30 30 TYR HD1 H 1 6.447 0.0 . . . . . . 30 TYR HD1 . 7401 1 375 . 1 1 30 30 TYR HD2 H 1 6.447 0.0 . . . . . . 30 TYR HD2 . 7401 1 376 . 1 1 30 30 TYR HE1 H 1 6.356 0.0 . . . . . . 30 TYR HE1 . 7401 1 377 . 1 1 30 30 TYR HE2 H 1 6.356 0.0 . . . . . . 30 TYR HE2 . 7401 1 378 . 1 1 30 30 TYR C C 13 176.952 0.0 . . . . . . 30 TYR C . 7401 1 379 . 1 1 30 30 TYR CA C 13 61.096 0.0 . . . . . . 30 TYR CA . 7401 1 380 . 1 1 30 30 TYR CB C 13 38.272 0.0 . . . . . . 30 TYR CB . 7401 1 381 . 1 1 30 30 TYR CD1 C 13 132.028 0.0 . . . . . . 30 TYR CD1 . 7401 1 382 . 1 1 30 30 TYR CD2 C 13 132.028 0.0 . . . . . . 30 TYR CD2 . 7401 1 383 . 1 1 30 30 TYR CE1 C 13 117.657 0.0 . . . . . . 30 TYR CE1 . 7401 1 384 . 1 1 30 30 TYR CE2 C 13 117.657 0.0 . . . . . . 30 TYR CE2 . 7401 1 385 . 1 1 30 30 TYR N N 15 120.981 0.0 . . . . . . 30 TYR N . 7401 1 386 . 1 1 31 31 ALA HA H 1 3.528 0.0 . . . . . . 31 ALA HA . 7401 1 387 . 1 1 31 31 ALA HB1 H 1 1.282 0.0 . . . . . . 31 ALA HB . 7401 1 388 . 1 1 31 31 ALA HB2 H 1 1.282 0.0 . . . . . . 31 ALA HB . 7401 1 389 . 1 1 31 31 ALA HB3 H 1 1.282 0.0 . . . . . . 31 ALA HB . 7401 1 390 . 1 1 31 31 ALA C C 13 179.382 0.0 . . . . . . 31 ALA C . 7401 1 391 . 1 1 31 31 ALA CA C 13 55.087 0.0 . . . . . . 31 ALA CA . 7401 1 392 . 1 1 31 31 ALA CB C 13 18.091 0.0 . . . . . . 31 ALA CB . 7401 1 393 . 1 1 31 31 ALA N N 15 119.500 0.0 . . . . . . 31 ALA N . 7401 1 394 . 1 1 32 32 GLN HA H 1 4.030 0.0 . . . . . . 32 GLN HA . 7401 1 395 . 1 1 32 32 GLN HB2 H 1 2.004 0.0 . . . . . . 32 GLN QB . 7401 1 396 . 1 1 32 32 GLN HB3 H 1 2.004 0.0 . . . . . . 32 GLN QB . 7401 1 397 . 1 1 32 32 GLN HG2 H 1 2.340 0.0 . . . . . . 32 GLN HG1 . 7401 1 398 . 1 1 32 32 GLN HG3 H 1 2.201 0.0 . . . . . . 32 GLN HG2 . 7401 1 399 . 1 1 32 32 GLN C C 13 180.078 0.0 . . . . . . 32 GLN C . 7401 1 400 . 1 1 32 32 GLN CA C 13 58.744 0.0 . . . . . . 32 GLN CA . 7401 1 401 . 1 1 32 32 GLN CB C 13 28.502 0.0 . . . . . . 32 GLN CB . 7401 1 402 . 1 1 32 32 GLN CG C 13 34.183 0.0 . . . . . . 32 GLN CG . 7401 1 403 . 1 1 32 32 GLN N N 15 116.487 0.0 . . . . . . 32 GLN N . 7401 1 404 . 1 1 32 32 GLN NE2 N 15 111.803 0.0 . . . . . . 32 GLN NE2 . 7401 1 405 . 1 1 33 33 ARG HA H 1 3.986 0.0 . . . . . . 33 ARG HA . 7401 1 406 . 1 1 33 33 ARG HB2 H 1 1.824 0.0 . . . . . . 33 ARG QB . 7401 1 407 . 1 1 33 33 ARG HB3 H 1 1.824 0.0 . . . . . . 33 ARG QB . 7401 1 408 . 1 1 33 33 ARG HD2 H 1 3.111 0.0 . . . . . . 33 ARG HD1 . 7401 1 409 . 1 1 33 33 ARG HD3 H 1 3.111 0.0 . . . . . . 33 ARG HD2 . 7401 1 410 . 1 1 33 33 ARG HG2 H 1 1.740 0.0 . . . . . . 33 ARG HG1 . 7401 1 411 . 1 1 33 33 ARG HG3 H 1 1.576 0.0 . . . . . . 33 ARG HG2 . 7401 1 412 . 1 1 33 33 ARG C C 13 178.198 0.0 . . . . . . 33 ARG C . 7401 1 413 . 1 1 33 33 ARG CA C 13 58.733 0.0 . . . . . . 33 ARG CA . 7401 1 414 . 1 1 33 33 ARG CB C 13 29.583 0.0 . . . . . . 33 ARG CB . 7401 1 415 . 1 1 33 33 ARG CD C 13 43.596 0.0 . . . . . . 33 ARG CD . 7401 1 416 . 1 1 33 33 ARG CG C 13 27.596 0.0 . . . . . . 33 ARG CG . 7401 1 417 . 1 1 33 33 ARG N N 15 121.286 0.0 . . . . . . 33 ARG N . 7401 1 418 . 1 1 33 33 ARG NE N 15 84.347 0.0 . . . . . . 33 ARG NE . 7401 1 419 . 1 1 34 34 LEU HA H 1 4.084 0.0 . . . . . . 34 LEU HA . 7401 1 420 . 1 1 34 34 LEU HB2 H 1 1.489 0.0 . . . . . . 34 LEU HB1 . 7401 1 421 . 1 1 34 34 LEU HB3 H 1 1.387 0.0 . . . . . . 34 LEU HB2 . 7401 1 422 . 1 1 34 34 LEU HD11 H 1 0.401 0.0 . . . . . . 34 LEU HD1 . 7401 1 423 . 1 1 34 34 LEU HD12 H 1 0.401 0.0 . . . . . . 34 LEU HD1 . 7401 1 424 . 1 1 34 34 LEU HD13 H 1 0.401 0.0 . . . . . . 34 LEU HD1 . 7401 1 425 . 1 1 34 34 LEU HD21 H 1 0.553 0.0 . . . . . . 34 LEU HD2 . 7401 1 426 . 1 1 34 34 LEU HD22 H 1 0.553 0.0 . . . . . . 34 LEU HD2 . 7401 1 427 . 1 1 34 34 LEU HD23 H 1 0.553 0.0 . . . . . . 34 LEU HD2 . 7401 1 428 . 1 1 34 34 LEU HG H 1 1.214 0.0 . . . . . . 34 LEU HG . 7401 1 429 . 1 1 34 34 LEU C C 13 177.110 0.0 . . . . . . 34 LEU C . 7401 1 430 . 1 1 34 34 LEU CA C 13 54.828 0.0 . . . . . . 34 LEU CA . 7401 1 431 . 1 1 34 34 LEU CB C 13 42.087 0.0 . . . . . . 34 LEU CB . 7401 1 432 . 1 1 34 34 LEU CD1 C 13 25.977 0.0 . . . . . . 34 LEU CD1 . 7401 1 433 . 1 1 34 34 LEU CD2 C 13 22.278 0.0 . . . . . . 34 LEU CD2 . 7401 1 434 . 1 1 34 34 LEU CG C 13 26.390 0.0 . . . . . . 34 LEU CG . 7401 1 435 . 1 1 34 34 LEU N N 15 117.225 0.0 . . . . . . 34 LEU N . 7401 1 436 . 1 1 35 35 GLY HA2 H 1 4.074 0.0 . . . . . . 35 GLY HA1 . 7401 1 437 . 1 1 35 35 GLY HA3 H 1 3.715 0.0 . . . . . . 35 GLY HA2 . 7401 1 438 . 1 1 35 35 GLY C C 13 174.465 0.0 . . . . . . 35 GLY C . 7401 1 439 . 1 1 35 35 GLY CA C 13 45.422 0.0 . . . . . . 35 GLY CA . 7401 1 440 . 1 1 35 35 GLY N N 15 107.041 0.0 . . . . . . 35 GLY N . 7401 1 441 . 1 1 36 36 LEU HA H 1 4.424 0.0 . . . . . . 36 LEU HA . 7401 1 442 . 1 1 36 36 LEU HB2 H 1 1.427 0.0 . . . . . . 36 LEU HB1 . 7401 1 443 . 1 1 36 36 LEU HB3 H 1 1.261 0.0 . . . . . . 36 LEU HB2 . 7401 1 444 . 1 1 36 36 LEU HD11 H 1 0.521 0.0 . . . . . . 36 LEU HD1 . 7401 1 445 . 1 1 36 36 LEU HD12 H 1 0.521 0.0 . . . . . . 36 LEU HD1 . 7401 1 446 . 1 1 36 36 LEU HD13 H 1 0.521 0.0 . . . . . . 36 LEU HD1 . 7401 1 447 . 1 1 36 36 LEU HD21 H 1 0.619 0.0 . . . . . . 36 LEU HD2 . 7401 1 448 . 1 1 36 36 LEU HD22 H 1 0.619 0.0 . . . . . . 36 LEU HD2 . 7401 1 449 . 1 1 36 36 LEU HD23 H 1 0.619 0.0 . . . . . . 36 LEU HD2 . 7401 1 450 . 1 1 36 36 LEU HG H 1 1.47 0.0 . . . . . . 36 LEU HG . 7401 1 451 . 1 1 36 36 LEU C C 13 176.067 0.0 . . . . . . 36 LEU C . 7401 1 452 . 1 1 36 36 LEU CA C 13 54.436 0.0 . . . . . . 36 LEU CA . 7401 1 453 . 1 1 36 36 LEU CB C 13 43.277 0.0 . . . . . . 36 LEU CB . 7401 1 454 . 1 1 36 36 LEU CD1 C 13 25.356 0.0 . . . . . . 36 LEU CD1 . 7401 1 455 . 1 1 36 36 LEU CD2 C 13 23.538 0.0 . . . . . . 36 LEU CD2 . 7401 1 456 . 1 1 36 36 LEU CG C 13 27.914 0.0 . . . . . . 36 LEU CG . 7401 1 457 . 1 1 36 36 LEU N N 15 120.082 0.0 . . . . . . 36 LEU N . 7401 1 458 . 1 1 37 37 ASN HA H 1 4.647 0.0 . . . . . . 37 ASN HA . 7401 1 459 . 1 1 37 37 ASN HB2 H 1 3.192 0.0 . . . . . . 37 ASN HB1 . 7401 1 460 . 1 1 37 37 ASN HB3 H 1 2.926 0.0 . . . . . . 37 ASN HB2 . 7401 1 461 . 1 1 37 37 ASN C C 13 175.291 0.0 . . . . . . 37 ASN C . 7401 1 462 . 1 1 37 37 ASN CA C 13 51.952 0.0 . . . . . . 37 ASN CA . 7401 1 463 . 1 1 37 37 ASN CB C 13 38.619 0.0 . . . . . . 37 ASN CB . 7401 1 464 . 1 1 37 37 ASN N N 15 119.435 0.0 . . . . . . 37 ASN N . 7401 1 465 . 1 1 37 37 ASN ND2 N 15 112.374 0.0 . . . . . . 37 ASN ND2 . 7401 1 466 . 1 1 38 38 GLU HA H 1 3.834 0.0 . . . . . . 38 GLU HA . 7401 1 467 . 1 1 38 38 GLU HB2 H 1 2.056 0.0 . . . . . . 38 GLU QB . 7401 1 468 . 1 1 38 38 GLU HB3 H 1 2.056 0.0 . . . . . . 38 GLU QB . 7401 1 469 . 1 1 38 38 GLU HG2 H 1 2.362 0.0 . . . . . . 38 GLU QG . 7401 1 470 . 1 1 38 38 GLU HG3 H 1 2.362 0.0 . . . . . . 38 GLU QG . 7401 1 471 . 1 1 38 38 GLU C C 13 178.574 0.0 . . . . . . 38 GLU C . 7401 1 472 . 1 1 38 38 GLU CA C 13 59.918 0.0 . . . . . . 38 GLU CA . 7401 1 473 . 1 1 38 38 GLU CB C 13 29.425 0.0 . . . . . . 38 GLU CB . 7401 1 474 . 1 1 38 38 GLU CG C 13 36.238 0.0 . . . . . . 38 GLU CG . 7401 1 475 . 1 1 38 38 GLU N N 15 120.477 0.0 . . . . . . 38 GLU N . 7401 1 476 . 1 1 39 39 GLU HA H 1 4.116 0.0 . . . . . . 39 GLU HA . 7401 1 477 . 1 1 39 39 GLU HB2 H 1 2.086 0.0 . . . . . . 39 GLU HB1 . 7401 1 478 . 1 1 39 39 GLU HB3 H 1 1.992 0.0 . . . . . . 39 GLU HB2 . 7401 1 479 . 1 1 39 39 GLU HG2 H 1 2.318 0.0 . . . . . . 39 GLU QG . 7401 1 480 . 1 1 39 39 GLU HG3 H 1 2.318 0.0 . . . . . . 39 GLU QG . 7401 1 481 . 1 1 39 39 GLU C C 13 178.419 0.0 . . . . . . 39 GLU C . 7401 1 482 . 1 1 39 39 GLU CA C 13 59.2 0.0 . . . . . . 39 GLU CA . 7401 1 483 . 1 1 39 39 GLU CB C 13 28.744 0.0 . . . . . . 39 GLU CB . 7401 1 484 . 1 1 39 39 GLU CG C 13 36.222 0.0 . . . . . . 39 GLU CG . 7401 1 485 . 1 1 39 39 GLU N N 15 119.763 0.0 . . . . . . 39 GLU N . 7401 1 486 . 1 1 40 40 ALA HA H 1 4.241 0.0 . . . . . . 40 ALA HA . 7401 1 487 . 1 1 40 40 ALA HB1 H 1 1.569 0.0 . . . . . . 40 ALA HB . 7401 1 488 . 1 1 40 40 ALA HB2 H 1 1.569 0.0 . . . . . . 40 ALA HB . 7401 1 489 . 1 1 40 40 ALA HB3 H 1 1.569 0.0 . . . . . . 40 ALA HB . 7401 1 490 . 1 1 40 40 ALA C C 13 180.221 0.0 . . . . . . 40 ALA C . 7401 1 491 . 1 1 40 40 ALA CA C 13 54.770 0.0 . . . . . . 40 ALA CA . 7401 1 492 . 1 1 40 40 ALA CB C 13 18.774 0.0 . . . . . . 40 ALA CB . 7401 1 493 . 1 1 40 40 ALA N N 15 122.659 0.0 . . . . . . 40 ALA N . 7401 1 494 . 1 1 41 41 ILE HA H 1 3.475 0.0 . . . . . . 41 ILE HA . 7401 1 495 . 1 1 41 41 ILE HB H 1 1.816 0.0 . . . . . . 41 ILE HB . 7401 1 496 . 1 1 41 41 ILE HD11 H 1 0.519 0.0 . . . . . . 41 ILE HD1 . 7401 1 497 . 1 1 41 41 ILE HD12 H 1 0.519 0.0 . . . . . . 41 ILE HD1 . 7401 1 498 . 1 1 41 41 ILE HD13 H 1 0.519 0.0 . . . . . . 41 ILE HD1 . 7401 1 499 . 1 1 41 41 ILE HG12 H 1 1.830 0.0 . . . . . . 41 ILE HG11 . 7401 1 500 . 1 1 41 41 ILE HG13 H 1 1.716 0.0 . . . . . . 41 ILE HG12 . 7401 1 501 . 1 1 41 41 ILE HG21 H 1 0.628 0.0 . . . . . . 41 ILE HG2 . 7401 1 502 . 1 1 41 41 ILE HG22 H 1 0.628 0.0 . . . . . . 41 ILE HG2 . 7401 1 503 . 1 1 41 41 ILE HG23 H 1 0.628 0.0 . . . . . . 41 ILE HG2 . 7401 1 504 . 1 1 41 41 ILE C C 13 177.050 0.0 . . . . . . 41 ILE C . 7401 1 505 . 1 1 41 41 ILE CA C 13 65.497 0.0 . . . . . . 41 ILE CA . 7401 1 506 . 1 1 41 41 ILE CB C 13 37.550 0.0 . . . . . . 41 ILE CB . 7401 1 507 . 1 1 41 41 ILE CD1 C 13 13.496 0.0 . . . . . . 41 ILE CD1 . 7401 1 508 . 1 1 41 41 ILE CG1 C 13 29.473 0.0 . . . . . . 41 ILE CG1 . 7401 1 509 . 1 1 41 41 ILE CG2 C 13 17.960 0.0 . . . . . . 41 ILE CG2 . 7401 1 510 . 1 1 41 41 ILE N N 15 118.192 0.0 . . . . . . 41 ILE N . 7401 1 511 . 1 1 42 42 ARG HA H 1 4.019 0.0 . . . . . . 42 ARG HA . 7401 1 512 . 1 1 42 42 ARG HB2 H 1 1.981 0.0 . . . . . . 42 ARG QB . 7401 1 513 . 1 1 42 42 ARG HB3 H 1 1.981 0.0 . . . . . . 42 ARG QB . 7401 1 514 . 1 1 42 42 ARG HD2 H 1 3.242 0.0 . . . . . . 42 ARG QD . 7401 1 515 . 1 1 42 42 ARG HD3 H 1 3.242 0.0 . . . . . . 42 ARG QD . 7401 1 516 . 1 1 42 42 ARG HG2 H 1 1.795 0.0 . . . . . . 42 ARG HG1 . 7401 1 517 . 1 1 42 42 ARG HG3 H 1 1.608 0.0 . . . . . . 42 ARG HG2 . 7401 1 518 . 1 1 42 42 ARG C C 13 179.248 0.0 . . . . . . 42 ARG C . 7401 1 519 . 1 1 42 42 ARG CA C 13 59.933 0.0 . . . . . . 42 ARG CA . 7401 1 520 . 1 1 42 42 ARG CB C 13 29.670 0.0 . . . . . . 42 ARG CB . 7401 1 521 . 1 1 42 42 ARG CD C 13 43.290 0.0 . . . . . . 42 ARG CD . 7401 1 522 . 1 1 42 42 ARG CG C 13 27.437 0.0 . . . . . . 42 ARG CG . 7401 1 523 . 1 1 42 42 ARG N N 15 119.922 0.0 . . . . . . 42 ARG N . 7401 1 524 . 1 1 42 42 ARG NE N 15 83.973 0.0 . . . . . . 42 ARG NE . 7401 1 525 . 1 1 43 43 GLN HA H 1 4.066 0.0 . . . . . . 43 GLN HA . 7401 1 526 . 1 1 43 43 GLN HB2 H 1 2.272 0.0 . . . . . . 43 GLN HB1 . 7401 1 527 . 1 1 43 43 GLN HB3 H 1 2.230 0.0 . . . . . . 43 GLN HB2 . 7401 1 528 . 1 1 43 43 GLN HG2 H 1 2.553 0.0 . . . . . . 43 GLN HG1 . 7401 1 529 . 1 1 43 43 GLN HG3 H 1 2.403 0.0 . . . . . . 43 GLN HG2 . 7401 1 530 . 1 1 43 43 GLN C C 13 178.204 0.0 . . . . . . 43 GLN C . 7401 1 531 . 1 1 43 43 GLN CA C 13 58.959 0.0 . . . . . . 43 GLN CA . 7401 1 532 . 1 1 43 43 GLN CB C 13 28.201 0.0 . . . . . . 43 GLN CB . 7401 1 533 . 1 1 43 43 GLN CG C 13 33.893 0.0 . . . . . . 43 GLN CG . 7401 1 534 . 1 1 43 43 GLN N N 15 118.073 0.0 . . . . . . 43 GLN N . 7401 1 535 . 1 1 43 43 GLN NE2 N 15 112.032 0.0 . . . . . . 43 GLN NE2 . 7401 1 536 . 1 1 44 44 PHE HA H 1 4.094 0.0 . . . . . . 44 PHE HA . 7401 1 537 . 1 1 44 44 PHE HB2 H 1 2.982 0.0 . . . . . . 44 PHE HB1 . 7401 1 538 . 1 1 44 44 PHE HB3 H 1 2.843 0.0 . . . . . . 44 PHE HB2 . 7401 1 539 . 1 1 44 44 PHE HD1 H 1 6.566 0.0 . . . . . . 44 PHE HD1 . 7401 1 540 . 1 1 44 44 PHE HD2 H 1 6.566 0.0 . . . . . . 44 PHE HD2 . 7401 1 541 . 1 1 44 44 PHE HE1 H 1 6.827 0.0 . . . . . . 44 PHE HE1 . 7401 1 542 . 1 1 44 44 PHE HE2 H 1 6.827 0.0 . . . . . . 44 PHE HE2 . 7401 1 543 . 1 1 44 44 PHE HZ H 1 6.791 0.0 . . . . . . 44 PHE HZ . 7401 1 544 . 1 1 44 44 PHE C C 13 177.659 0.0 . . . . . . 44 PHE C . 7401 1 545 . 1 1 44 44 PHE CA C 13 61.548 0.0 . . . . . . 44 PHE CA . 7401 1 546 . 1 1 44 44 PHE CB C 13 38.444 0.0 . . . . . . 44 PHE CB . 7401 1 547 . 1 1 44 44 PHE CD1 C 13 131.791 0.0 . . . . . . 44 PHE CD1 . 7401 1 548 . 1 1 44 44 PHE CD2 C 13 131.791 0.0 . . . . . . 44 PHE CD2 . 7401 1 549 . 1 1 44 44 PHE CE1 C 13 130.731 0.0 . . . . . . 44 PHE CE1 . 7401 1 550 . 1 1 44 44 PHE CE2 C 13 130.731 0.0 . . . . . . 44 PHE CE2 . 7401 1 551 . 1 1 44 44 PHE CZ C 13 129.925 0.0 . . . . . . 44 PHE CZ . 7401 1 552 . 1 1 44 44 PHE N N 15 121.120 0.0 . . . . . . 44 PHE N . 7401 1 553 . 1 1 45 45 PHE HA H 1 4.195 0.0 . . . . . . 45 PHE HA . 7401 1 554 . 1 1 45 45 PHE HB2 H 1 3.287 0.0 . . . . . . 45 PHE HB1 . 7401 1 555 . 1 1 45 45 PHE HB3 H 1 3.227 0.0 . . . . . . 45 PHE HB2 . 7401 1 556 . 1 1 45 45 PHE HD1 H 1 7.363 0.0 . . . . . . 45 PHE HD1 . 7401 1 557 . 1 1 45 45 PHE HD2 H 1 7.363 0.0 . . . . . . 45 PHE HD2 . 7401 1 558 . 1 1 45 45 PHE HE1 H 1 7.175 0.0 . . . . . . 45 PHE HE1 . 7401 1 559 . 1 1 45 45 PHE HE2 H 1 7.175 0.0 . . . . . . 45 PHE HE2 . 7401 1 560 . 1 1 45 45 PHE HZ H 1 7.089 0.0 . . . . . . 45 PHE HZ . 7401 1 561 . 1 1 45 45 PHE C C 13 177.906 0.0 . . . . . . 45 PHE C . 7401 1 562 . 1 1 45 45 PHE CA C 13 61.004 0.0 . . . . . . 45 PHE CA . 7401 1 563 . 1 1 45 45 PHE CB C 13 38.289 0.0 . . . . . . 45 PHE CB . 7401 1 564 . 1 1 45 45 PHE CD1 C 13 131.528 0.0 . . . . . . 45 PHE CD1 . 7401 1 565 . 1 1 45 45 PHE CD2 C 13 131.528 0.0 . . . . . . 45 PHE CD2 . 7401 1 566 . 1 1 45 45 PHE CE1 C 13 130.916 0.0 . . . . . . 45 PHE CE1 . 7401 1 567 . 1 1 45 45 PHE CE2 C 13 130.916 0.0 . . . . . . 45 PHE CE2 . 7401 1 568 . 1 1 45 45 PHE CZ C 13 129.222 0.0 . . . . . . 45 PHE CZ . 7401 1 569 . 1 1 45 45 PHE N N 15 117.646 0.0 . . . . . . 45 PHE N . 7401 1 570 . 1 1 46 46 GLU HA H 1 4.080 0.0 . . . . . . 46 GLU HA . 7401 1 571 . 1 1 46 46 GLU HB2 H 1 2.203 0.0 . . . . . . 46 GLU HB1 . 7401 1 572 . 1 1 46 46 GLU HB3 H 1 2.131 0.0 . . . . . . 46 GLU HB2 . 7401 1 573 . 1 1 46 46 GLU HG2 H 1 2.537 0.0 . . . . . . 46 GLU HG1 . 7401 1 574 . 1 1 46 46 GLU HG3 H 1 2.355 0.0 . . . . . . 46 GLU HG2 . 7401 1 575 . 1 1 46 46 GLU C C 13 178.498 0.0 . . . . . . 46 GLU C . 7401 1 576 . 1 1 46 46 GLU CA C 13 59.056 0.0 . . . . . . 46 GLU CA . 7401 1 577 . 1 1 46 46 GLU CB C 13 29.100 0.0 . . . . . . 46 GLU CB . 7401 1 578 . 1 1 46 46 GLU CG C 13 35.795 0.0 . . . . . . 46 GLU CG . 7401 1 579 . 1 1 46 46 GLU N N 15 119.461 0.0 . . . . . . 46 GLU N . 7401 1 580 . 1 1 47 47 GLU HA H 1 4.059 0.0 . . . . . . 47 GLU HA . 7401 1 581 . 1 1 47 47 GLU HB2 H 1 1.984 0.0 . . . . . . 47 GLU HB1 . 7401 1 582 . 1 1 47 47 GLU HB3 H 1 1.877 0.0 . . . . . . 47 GLU HB2 . 7401 1 583 . 1 1 47 47 GLU HG2 H 1 2.343 0.0 . . . . . . 47 GLU HG1 . 7401 1 584 . 1 1 47 47 GLU HG3 H 1 2.080 0.0 . . . . . . 47 GLU HG2 . 7401 1 585 . 1 1 47 47 GLU C C 13 177.943 0.0 . . . . . . 47 GLU C . 7401 1 586 . 1 1 47 47 GLU CA C 13 57.888 0.0 . . . . . . 47 GLU CA . 7401 1 587 . 1 1 47 47 GLU CB C 13 29.440 0.0 . . . . . . 47 GLU CB . 7401 1 588 . 1 1 47 47 GLU CG C 13 35.190 0.0 . . . . . . 47 GLU CG . 7401 1 589 . 1 1 47 47 GLU N N 15 118.056 0.0 . . . . . . 47 GLU N . 7401 1 590 . 1 1 48 48 PHE HA H 1 4.251 0.0 . . . . . . 48 PHE HA . 7401 1 591 . 1 1 48 48 PHE HB2 H 1 2.900 0.0 . . . . . . 48 PHE HB1 . 7401 1 592 . 1 1 48 48 PHE HB3 H 1 2.591 0.0 . . . . . . 48 PHE HB2 . 7401 1 593 . 1 1 48 48 PHE HD1 H 1 7.026 0.0 . . . . . . 48 PHE HD1 . 7401 1 594 . 1 1 48 48 PHE HD2 H 1 7.026 0.0 . . . . . . 48 PHE HD2 . 7401 1 595 . 1 1 48 48 PHE HE1 H 1 7.209 0.0 . . . . . . 48 PHE HE1 . 7401 1 596 . 1 1 48 48 PHE HE2 H 1 7.209 0.0 . . . . . . 48 PHE HE2 . 7401 1 597 . 1 1 48 48 PHE HZ H 1 7.213 0.0 . . . . . . 48 PHE HZ . 7401 1 598 . 1 1 48 48 PHE C C 13 176.816 0.0 . . . . . . 48 PHE C . 7401 1 599 . 1 1 48 48 PHE CA C 13 59.313 0.0 . . . . . . 48 PHE CA . 7401 1 600 . 1 1 48 48 PHE CB C 13 39.557 0.0 . . . . . . 48 PHE CB . 7401 1 601 . 1 1 48 48 PHE CD1 C 13 131.690 0.0 . . . . . . 48 PHE CD1 . 7401 1 602 . 1 1 48 48 PHE CD2 C 13 131.690 0.0 . . . . . . 48 PHE CD2 . 7401 1 603 . 1 1 48 48 PHE CE1 C 13 131.159 0.0 . . . . . . 48 PHE CE1 . 7401 1 604 . 1 1 48 48 PHE CE2 C 13 131.159 0.0 . . . . . . 48 PHE CE2 . 7401 1 605 . 1 1 48 48 PHE CZ C 13 129.599 0.0 . . . . . . 48 PHE CZ . 7401 1 606 . 1 1 48 48 PHE N N 15 119.645 0.0 . . . . . . 48 PHE N . 7401 1 607 . 1 1 49 49 GLU HA H 1 4.083 0.0 . . . . . . 49 GLU HA . 7401 1 608 . 1 1 49 49 GLU HB2 H 1 2.023 0.0 . . . . . . 49 GLU HB1 . 7401 1 609 . 1 1 49 49 GLU HB3 H 1 1.937 0.0 . . . . . . 49 GLU HB2 . 7401 1 610 . 1 1 49 49 GLU HG2 H 1 2.225 0.0 . . . . . . 49 GLU QG . 7401 1 611 . 1 1 49 49 GLU HG3 H 1 2.225 0.0 . . . . . . 49 GLU QG . 7401 1 612 . 1 1 49 49 GLU C C 13 176.626 0.0 . . . . . . 49 GLU C . 7401 1 613 . 1 1 49 49 GLU CA C 13 56.646 0.0 . . . . . . 49 GLU CA . 7401 1 614 . 1 1 49 49 GLU CB C 13 29.668 0.0 . . . . . . 49 GLU CB . 7401 1 615 . 1 1 49 49 GLU CG C 13 35.922 0.0 . . . . . . 49 GLU CG . 7401 1 616 . 1 1 49 49 GLU N N 15 119.113 0.0 . . . . . . 49 GLU N . 7401 1 617 . 1 1 50 50 GLN HA H 1 4.21 0.0 . . . . . . 50 GLN HA . 7401 1 618 . 1 1 50 50 GLN HB2 H 1 2.107 0.0 . . . . . . 50 GLN HB1 . 7401 1 619 . 1 1 50 50 GLN HB3 H 1 1.985 0.0 . . . . . . 50 GLN HB2 . 7401 1 620 . 1 1 50 50 GLN HG2 H 1 2.390 0.0 . . . . . . 50 GLN HG1 . 7401 1 621 . 1 1 50 50 GLN HG3 H 1 2.350 0.0 . . . . . . 50 GLN HG2 . 7401 1 622 . 1 1 50 50 GLN C C 13 175.967 0.0 . . . . . . 50 GLN C . 7401 1 623 . 1 1 50 50 GLN CA C 13 55.74 0.0 . . . . . . 50 GLN CA . 7401 1 624 . 1 1 50 50 GLN CB C 13 28.961 0.0 . . . . . . 50 GLN CB . 7401 1 625 . 1 1 50 50 GLN CG C 13 33.885 0.0 . . . . . . 50 GLN CG . 7401 1 626 . 1 1 50 50 GLN N N 15 118.828 0.0 . . . . . . 50 GLN N . 7401 1 627 . 1 1 50 50 GLN NE2 N 15 112.590 0.0 . . . . . . 50 GLN NE2 . 7401 1 628 . 1 1 51 51 ARG HA H 1 4.276 0.0 . . . . . . 51 ARG HA . 7401 1 629 . 1 1 51 51 ARG HB2 H 1 1.826 0.0 . . . . . . 51 ARG HB1 . 7401 1 630 . 1 1 51 51 ARG HB3 H 1 1.724 0.0 . . . . . . 51 ARG HB2 . 7401 1 631 . 1 1 51 51 ARG HD2 H 1 3.104 0.0 . . . . . . 51 ARG QD . 7401 1 632 . 1 1 51 51 ARG HD3 H 1 3.104 0.0 . . . . . . 51 ARG QD . 7401 1 633 . 1 1 51 51 ARG HG2 H 1 1.594 0.0 . . . . . . 51 ARG QG . 7401 1 634 . 1 1 51 51 ARG HG3 H 1 1.594 0.0 . . . . . . 51 ARG QG . 7401 1 635 . 1 1 51 51 ARG C C 13 175.314 0.0 . . . . . . 51 ARG C . 7401 1 636 . 1 1 51 51 ARG CA C 13 56.040 0.0 . . . . . . 51 ARG CA . 7401 1 637 . 1 1 51 51 ARG CB C 13 30.398 0.0 . . . . . . 51 ARG CB . 7401 1 638 . 1 1 51 51 ARG CD C 13 43.332 0.0 . . . . . . 51 ARG CD . 7401 1 639 . 1 1 51 51 ARG CG C 13 27.096 0.0 . . . . . . 51 ARG CG . 7401 1 640 . 1 1 51 51 ARG N N 15 121.744 0.0 . . . . . . 51 ARG N . 7401 1 641 . 1 1 51 51 ARG NE N 15 84.878 0.0 . . . . . . 51 ARG NE . 7401 1 642 . 1 1 52 52 LYS HA H 1 4.096 0.0 . . . . . . 52 LYS HA . 7401 1 643 . 1 1 52 52 LYS HB2 H 1 1.770 0.0 . . . . . . 52 LYS HB1 . 7401 1 644 . 1 1 52 52 LYS HB3 H 1 1.665 0.0 . . . . . . 52 LYS HB2 . 7401 1 645 . 1 1 52 52 LYS HD2 H 1 1.620 0.0 . . . . . . 52 LYS QD . 7401 1 646 . 1 1 52 52 LYS HD3 H 1 1.620 0.0 . . . . . . 52 LYS QD . 7401 1 647 . 1 1 52 52 LYS HE2 H 1 2.929 0.0 . . . . . . 52 LYS QE . 7401 1 648 . 1 1 52 52 LYS HE3 H 1 2.929 0.0 . . . . . . 52 LYS QE . 7401 1 649 . 1 1 52 52 LYS HG2 H 1 1.352 0.0 . . . . . . 52 LYS QG . 7401 1 650 . 1 1 52 52 LYS HG3 H 1 1.352 0.0 . . . . . . 52 LYS QG . 7401 1 651 . 1 1 52 52 LYS C C 13 181.320 0.0 . . . . . . 52 LYS C . 7401 1 652 . 1 1 52 52 LYS CA C 13 57.507 0.0 . . . . . . 52 LYS CA . 7401 1 653 . 1 1 52 52 LYS CB C 13 33.516 0.0 . . . . . . 52 LYS CB . 7401 1 654 . 1 1 52 52 LYS CD C 13 29.110 0.0 . . . . . . 52 LYS CD . 7401 1 655 . 1 1 52 52 LYS CE C 13 41.9 0.0 . . . . . . 52 LYS CE . 7401 1 656 . 1 1 52 52 LYS CG C 13 24.734 0.0 . . . . . . 52 LYS CG . 7401 1 657 . 1 1 52 52 LYS N N 15 127.865 0.0 . . . . . . 52 LYS N . 7401 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 7401 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 3D_15N-separated_NOESY . . . 7401 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.070 0.0 . . . . . . 1 MET HA . 7401 2 2 . 1 1 1 1 MET HB2 H 1 2.090 0.0 . . . . . . 1 MET QB . 7401 2 3 . 1 1 1 1 MET HB3 H 1 2.090 0.0 . . . . . . 1 MET QB . 7401 2 4 . 1 1 1 1 MET HE1 H 1 2.046 0.0 . . . . . . 1 MET HE . 7401 2 5 . 1 1 1 1 MET HE2 H 1 2.046 0.0 . . . . . . 1 MET HE . 7401 2 6 . 1 1 1 1 MET HE3 H 1 2.046 0.0 . . . . . . 1 MET HE . 7401 2 7 . 1 1 1 1 MET HG2 H 1 2.520 0.0 . . . . . . 1 MET QG . 7401 2 8 . 1 1 1 1 MET HG3 H 1 2.520 0.0 . . . . . . 1 MET QG . 7401 2 9 . 1 1 1 1 MET C C 13 172.249 0.0 . . . . . . 1 MET C . 7401 2 10 . 1 1 1 1 MET CA C 13 54.783 0.0 . . . . . . 1 MET CA . 7401 2 11 . 1 1 1 1 MET CB C 13 32.800 0.0 . . . . . . 1 MET CB . 7401 2 12 . 1 1 1 1 MET CE C 13 16.720 0.0 . . . . . . 1 MET CE . 7401 2 13 . 1 1 1 1 MET CG C 13 30.730 0.0 . . . . . . 1 MET CG . 7401 2 14 . 1 1 2 2 LYS H H 1 8.690 0.0 . . . . . . 2 LYS H . 7401 2 15 . 1 1 2 2 LYS HA H 1 4.069 0.0 . . . . . . 2 LYS HA . 7401 2 16 . 1 1 2 2 LYS HB2 H 1 1.480 0.0 . . . . . . 2 LYS HB1 . 7401 2 17 . 1 1 2 2 LYS HB3 H 1 1.330 0.0 . . . . . . 2 LYS HB2 . 7401 2 18 . 1 1 2 2 LYS HD2 H 1 1.550 0.0 . . . . . . 2 LYS QD . 7401 2 19 . 1 1 2 2 LYS HD3 H 1 1.550 0.0 . . . . . . 2 LYS QD . 7401 2 20 . 1 1 2 2 LYS HE2 H 1 2.887 0.0 . . . . . . 2 LYS QE . 7401 2 21 . 1 1 2 2 LYS HE3 H 1 2.887 0.0 . . . . . . 2 LYS QE . 7401 2 22 . 1 1 2 2 LYS HG2 H 1 1.210 0.0 . . . . . . 2 LYS QG . 7401 2 23 . 1 1 2 2 LYS HG3 H 1 1.210 0.0 . . . . . . 2 LYS QG . 7401 2 24 . 1 1 2 2 LYS C C 13 176.083 0.0 . . . . . . 2 LYS C . 7401 2 25 . 1 1 2 2 LYS CA C 13 56.162 0.0 . . . . . . 2 LYS CA . 7401 2 26 . 1 1 2 2 LYS CB C 13 32.845 0.0 . . . . . . 2 LYS CB . 7401 2 27 . 1 1 2 2 LYS CD C 13 29.070 0.0 . . . . . . 2 LYS CD . 7401 2 28 . 1 1 2 2 LYS CE C 13 41.964 0.0 . . . . . . 2 LYS CE . 7401 2 29 . 1 1 2 2 LYS CG C 13 24.624 0.0 . . . . . . 2 LYS CG . 7401 2 30 . 1 1 2 2 LYS N N 15 124.454 0.0 . . . . . . 2 LYS N . 7401 2 31 . 1 1 3 3 GLN H H 1 8.034 0.0 . . . . . . 3 GLN H . 7401 2 32 . 1 1 3 3 GLN HA H 1 4.193 0.0 . . . . . . 3 GLN HA . 7401 2 33 . 1 1 3 3 GLN HB2 H 1 2.078 0.0 . . . . . . 3 GLN HB1 . 7401 2 34 . 1 1 3 3 GLN HB3 H 1 1.750 0.0 . . . . . . 3 GLN HB2 . 7401 2 35 . 1 1 3 3 GLN HE21 H 1 7.409 0.0 . . . . . . 3 GLN HE21 . 7401 2 36 . 1 1 3 3 GLN HE22 H 1 6.662 0.0 . . . . . . 3 GLN HE22 . 7401 2 37 . 1 1 3 3 GLN HG2 H 1 2.212 0.0 . . . . . . 3 GLN QG . 7401 2 38 . 1 1 3 3 GLN HG3 H 1 2.212 0.0 . . . . . . 3 GLN QG . 7401 2 39 . 1 1 3 3 GLN C C 13 174.705 0.0 . . . . . . 3 GLN C . 7401 2 40 . 1 1 3 3 GLN CA C 13 55.763 0.0 . . . . . . 3 GLN CA . 7401 2 41 . 1 1 3 3 GLN CB C 13 29.189 0.0 . . . . . . 3 GLN CB . 7401 2 42 . 1 1 3 3 GLN CG C 13 33.909 0.0 . . . . . . 3 GLN CG . 7401 2 43 . 1 1 3 3 GLN N N 15 121.385 0.0 . . . . . . 3 GLN N . 7401 2 44 . 1 1 3 3 GLN NE2 N 15 111.767 0.0 . . . . . . 3 GLN NE2 . 7401 2 45 . 1 1 4 4 TRP H H 1 7.499 0.0 . . . . . . 4 TRP H . 7401 2 46 . 1 1 4 4 TRP HA H 1 4.774 0.0 . . . . . . 4 TRP HA . 7401 2 47 . 1 1 4 4 TRP HB2 H 1 3.361 0.0 . . . . . . 4 TRP HB1 . 7401 2 48 . 1 1 4 4 TRP HB3 H 1 3.125 0.0 . . . . . . 4 TRP HB2 . 7401 2 49 . 1 1 4 4 TRP HD1 H 1 7.279 0.0 . . . . . . 4 TRP HD1 . 7401 2 50 . 1 1 4 4 TRP HE1 H 1 10.686 0.0 . . . . . . 4 TRP HE1 . 7401 2 51 . 1 1 4 4 TRP HE3 H 1 7.453 0.0 . . . . . . 4 TRP HE3 . 7401 2 52 . 1 1 4 4 TRP HH2 H 1 7.033 0.0 . . . . . . 4 TRP HH2 . 7401 2 53 . 1 1 4 4 TRP HZ2 H 1 7.419 0.0 . . . . . . 4 TRP HZ2 . 7401 2 54 . 1 1 4 4 TRP HZ3 H 1 7.080 0.0 . . . . . . 4 TRP HZ3 . 7401 2 55 . 1 1 4 4 TRP C C 13 175.314 0.0 . . . . . . 4 TRP C . 7401 2 56 . 1 1 4 4 TRP CA C 13 56.236 0.0 . . . . . . 4 TRP CA . 7401 2 57 . 1 1 4 4 TRP CB C 13 30.035 0.0 . . . . . . 4 TRP CB . 7401 2 58 . 1 1 4 4 TRP CD1 C 13 127.221 0.0 . . . . . . 4 TRP CD1 . 7401 2 59 . 1 1 4 4 TRP CE3 C 13 120.447 0.0 . . . . . . 4 TRP CE3 . 7401 2 60 . 1 1 4 4 TRP CH2 C 13 123.940 0.0 . . . . . . 4 TRP CH2 . 7401 2 61 . 1 1 4 4 TRP CZ2 C 13 114.643 0.0 . . . . . . 4 TRP CZ2 . 7401 2 62 . 1 1 4 4 TRP CZ3 C 13 121.894 0.0 . . . . . . 4 TRP CZ3 . 7401 2 63 . 1 1 4 4 TRP N N 15 118.965 0.0 . . . . . . 4 TRP N . 7401 2 64 . 1 1 4 4 TRP NE1 N 15 130.794 0.0 . . . . . . 4 TRP NE1 . 7401 2 65 . 1 1 5 5 SER H H 1 8.318 0.0 . . . . . . 5 SER H . 7401 2 66 . 1 1 5 5 SER HA H 1 4.401 0.0 . . . . . . 5 SER HA . 7401 2 67 . 1 1 5 5 SER HB2 H 1 4.157 0.0 . . . . . . 5 SER HB1 . 7401 2 68 . 1 1 5 5 SER HB3 H 1 3.918 0.0 . . . . . . 5 SER HB2 . 7401 2 69 . 1 1 5 5 SER C C 13 174.822 0.0 . . . . . . 5 SER C . 7401 2 70 . 1 1 5 5 SER CA C 13 57.731 0.0 . . . . . . 5 SER CA . 7401 2 71 . 1 1 5 5 SER CB C 13 64.614 0.0 . . . . . . 5 SER CB . 7401 2 72 . 1 1 5 5 SER N N 15 116.156 0.0 . . . . . . 5 SER N . 7401 2 73 . 1 1 6 6 GLU H H 1 8.808 0.0 . . . . . . 6 GLU H . 7401 2 74 . 1 1 6 6 GLU HA H 1 4.171 0.0 . . . . . . 6 GLU HA . 7401 2 75 . 1 1 6 6 GLU HB2 H 1 2.049 0.0 . . . . . . 6 GLU QB . 7401 2 76 . 1 1 6 6 GLU HB3 H 1 2.049 0.0 . . . . . . 6 GLU QB . 7401 2 77 . 1 1 6 6 GLU HG2 H 1 2.358 0.0 . . . . . . 6 GLU QG . 7401 2 78 . 1 1 6 6 GLU HG3 H 1 2.358 0.0 . . . . . . 6 GLU QG . 7401 2 79 . 1 1 6 6 GLU C C 13 177.898 0.0 . . . . . . 6 GLU C . 7401 2 80 . 1 1 6 6 GLU CA C 13 58.685 0.0 . . . . . . 6 GLU CA . 7401 2 81 . 1 1 6 6 GLU CB C 13 29.381 0.0 . . . . . . 6 GLU CB . 7401 2 82 . 1 1 6 6 GLU CG C 13 36.250 0.0 . . . . . . 6 GLU CG . 7401 2 83 . 1 1 6 6 GLU N N 15 122.252 0.0 . . . . . . 6 GLU N . 7401 2 84 . 1 1 7 7 ASN H H 1 8.446 0.0 . . . . . . 7 ASN H . 7401 2 85 . 1 1 7 7 ASN HA H 1 4.506 0.0 . . . . . . 7 ASN HA . 7401 2 86 . 1 1 7 7 ASN HB2 H 1 2.814 0.0 . . . . . . 7 ASN HB1 . 7401 2 87 . 1 1 7 7 ASN HB3 H 1 2.751 0.0 . . . . . . 7 ASN HB2 . 7401 2 88 . 1 1 7 7 ASN HD21 H 1 7.677 0.0 . . . . . . 7 ASN HD21 . 7401 2 89 . 1 1 7 7 ASN HD22 H 1 7.009 0.0 . . . . . . 7 ASN HD22 . 7401 2 90 . 1 1 7 7 ASN C C 13 177.119 0.0 . . . . . . 7 ASN C . 7401 2 91 . 1 1 7 7 ASN CA C 13 55.508 0.0 . . . . . . 7 ASN CA . 7401 2 92 . 1 1 7 7 ASN CB C 13 38.479 0.0 . . . . . . 7 ASN CB . 7401 2 93 . 1 1 7 7 ASN N N 15 117.705 0.0 . . . . . . 7 ASN N . 7401 2 94 . 1 1 7 7 ASN ND2 N 15 113.057 0.0 . . . . . . 7 ASN ND2 . 7401 2 95 . 1 1 8 8 VAL H H 1 7.725 0.0 . . . . . . 8 VAL H . 7401 2 96 . 1 1 8 8 VAL HA H 1 3.518 0.0 . . . . . . 8 VAL HA . 7401 2 97 . 1 1 8 8 VAL HB H 1 2.095 0.0 . . . . . . 8 VAL HB . 7401 2 98 . 1 1 8 8 VAL HG11 H 1 0.638 0.0 . . . . . . 8 VAL HG1 . 7401 2 99 . 1 1 8 8 VAL HG12 H 1 0.638 0.0 . . . . . . 8 VAL HG1 . 7401 2 100 . 1 1 8 8 VAL HG13 H 1 0.638 0.0 . . . . . . 8 VAL HG1 . 7401 2 101 . 1 1 8 8 VAL HG21 H 1 0.948 0.0 . . . . . . 8 VAL HG2 . 7401 2 102 . 1 1 8 8 VAL HG22 H 1 0.948 0.0 . . . . . . 8 VAL HG2 . 7401 2 103 . 1 1 8 8 VAL HG23 H 1 0.948 0.0 . . . . . . 8 VAL HG2 . 7401 2 104 . 1 1 8 8 VAL C C 13 176.875 0.0 . . . . . . 8 VAL C . 7401 2 105 . 1 1 8 8 VAL CA C 13 66.099 0.0 . . . . . . 8 VAL CA . 7401 2 106 . 1 1 8 8 VAL CB C 13 31.467 0.0 . . . . . . 8 VAL CB . 7401 2 107 . 1 1 8 8 VAL CG1 C 13 21.497 0.0 . . . . . . 8 VAL CG1 . 7401 2 108 . 1 1 8 8 VAL CG2 C 13 23.077 0.0 . . . . . . 8 VAL CG2 . 7401 2 109 . 1 1 8 8 VAL N N 15 120.856 0.0 . . . . . . 8 VAL N . 7401 2 110 . 1 1 9 9 GLU H H 1 8.267 0.0 . . . . . . 9 GLU H . 7401 2 111 . 1 1 9 9 GLU HA H 1 3.632 0.0 . . . . . . 9 GLU HA . 7401 2 112 . 1 1 9 9 GLU HB2 H 1 2.260 0.0 . . . . . . 9 GLU QB . 7401 2 113 . 1 1 9 9 GLU HB3 H 1 2.260 0.0 . . . . . . 9 GLU QB . 7401 2 114 . 1 1 9 9 GLU HG2 H 1 2.296 0.0 . . . . . . 9 GLU QG . 7401 2 115 . 1 1 9 9 GLU HG3 H 1 2.296 0.0 . . . . . . 9 GLU QG . 7401 2 116 . 1 1 9 9 GLU C C 13 178.193 0.0 . . . . . . 9 GLU C . 7401 2 117 . 1 1 9 9 GLU CA C 13 60.133 0.0 . . . . . . 9 GLU CA . 7401 2 118 . 1 1 9 9 GLU CB C 13 29.202 0.0 . . . . . . 9 GLU CB . 7401 2 119 . 1 1 9 9 GLU CG C 13 36.618 0.0 . . . . . . 9 GLU CG . 7401 2 120 . 1 1 9 9 GLU N N 15 120.715 0.0 . . . . . . 9 GLU N . 7401 2 121 . 1 1 10 10 GLU H H 1 8.112 0.0 . . . . . . 10 GLU H . 7401 2 122 . 1 1 10 10 GLU HA H 1 3.998 0.0 . . . . . . 10 GLU HA . 7401 2 123 . 1 1 10 10 GLU HB2 H 1 2.121 0.0 . . . . . . 10 GLU QB . 7401 2 124 . 1 1 10 10 GLU HB3 H 1 2.121 0.0 . . . . . . 10 GLU QB . 7401 2 125 . 1 1 10 10 GLU HG2 H 1 2.390 0.0 . . . . . . 10 GLU QG . 7401 2 126 . 1 1 10 10 GLU HG3 H 1 2.390 0.0 . . . . . . 10 GLU QG . 7401 2 127 . 1 1 10 10 GLU C C 13 179.299 0.0 . . . . . . 10 GLU C . 7401 2 128 . 1 1 10 10 GLU CA C 13 59.136 0.0 . . . . . . 10 GLU CA . 7401 2 129 . 1 1 10 10 GLU CB C 13 29.148 0.0 . . . . . . 10 GLU CB . 7401 2 130 . 1 1 10 10 GLU CG C 13 35.911 0.0 . . . . . . 10 GLU CG . 7401 2 131 . 1 1 10 10 GLU N N 15 117.601 0.0 . . . . . . 10 GLU N . 7401 2 132 . 1 1 11 11 LYS H H 1 7.745 0.0 . . . . . . 11 LYS H . 7401 2 133 . 1 1 11 11 LYS HA H 1 4.087 0.0 . . . . . . 11 LYS HA . 7401 2 134 . 1 1 11 11 LYS HB2 H 1 1.940 0.0 . . . . . . 11 LYS HB1 . 7401 2 135 . 1 1 11 11 LYS HB3 H 1 1.910 0.0 . . . . . . 11 LYS HB2 . 7401 2 136 . 1 1 11 11 LYS HD2 H 1 1.550 0.0 . . . . . . 11 LYS QD . 7401 2 137 . 1 1 11 11 LYS HD3 H 1 1.550 0.0 . . . . . . 11 LYS QD . 7401 2 138 . 1 1 11 11 LYS HE2 H 1 2.945 0.0 . . . . . . 11 LYS QE . 7401 2 139 . 1 1 11 11 LYS HE3 H 1 2.945 0.0 . . . . . . 11 LYS QE . 7401 2 140 . 1 1 11 11 LYS HG2 H 1 1.609 0.0 . . . . . . 11 LYS HG1 . 7401 2 141 . 1 1 11 11 LYS HG3 H 1 1.490 0.0 . . . . . . 11 LYS HG2 . 7401 2 142 . 1 1 11 11 LYS C C 13 180.140 0.0 . . . . . . 11 LYS C . 7401 2 143 . 1 1 11 11 LYS CA C 13 59.084 0.0 . . . . . . 11 LYS CA . 7401 2 144 . 1 1 11 11 LYS CB C 13 32.279 0.0 . . . . . . 11 LYS CB . 7401 2 145 . 1 1 11 11 LYS CD C 13 29.204 0.0 . . . . . . 11 LYS CD . 7401 2 146 . 1 1 11 11 LYS CE C 13 42.189 0.0 . . . . . . 11 LYS CE . 7401 2 147 . 1 1 11 11 LYS CG C 13 25.476 0.0 . . . . . . 11 LYS CG . 7401 2 148 . 1 1 11 11 LYS N N 15 119.484 0.0 . . . . . . 11 LYS N . 7401 2 149 . 1 1 12 12 LEU H H 1 8.266 0.0 . . . . . . 12 LEU H . 7401 2 150 . 1 1 12 12 LEU HA H 1 4.003 0.0 . . . . . . 12 LEU HA . 7401 2 151 . 1 1 12 12 LEU HB2 H 1 1.383 0.0 . . . . . . 12 LEU HB1 . 7401 2 152 . 1 1 12 12 LEU HB3 H 1 1.016 0.0 . . . . . . 12 LEU HB2 . 7401 2 153 . 1 1 12 12 LEU HD11 H 1 0.253 0.0 . . . . . . 12 LEU HD1 . 7401 2 154 . 1 1 12 12 LEU HD12 H 1 0.253 0.0 . . . . . . 12 LEU HD1 . 7401 2 155 . 1 1 12 12 LEU HD13 H 1 0.253 0.0 . . . . . . 12 LEU HD1 . 7401 2 156 . 1 1 12 12 LEU HD21 H 1 -0.041 0.0 . . . . . . 12 LEU HD2 . 7401 2 157 . 1 1 12 12 LEU HD22 H 1 -0.041 0.0 . . . . . . 12 LEU HD2 . 7401 2 158 . 1 1 12 12 LEU HD23 H 1 -0.041 0.0 . . . . . . 12 LEU HD2 . 7401 2 159 . 1 1 12 12 LEU HG H 1 1.270 0.0 . . . . . . 12 LEU HG . 7401 2 160 . 1 1 12 12 LEU C C 13 178.395 0.0 . . . . . . 12 LEU C . 7401 2 161 . 1 1 12 12 LEU CA C 13 57.927 0.0 . . . . . . 12 LEU CA . 7401 2 162 . 1 1 12 12 LEU CB C 13 41.146 0.0 . . . . . . 12 LEU CB . 7401 2 163 . 1 1 12 12 LEU CD1 C 13 23.407 0.0 . . . . . . 12 LEU CD1 . 7401 2 164 . 1 1 12 12 LEU CD2 C 13 24.445 0.0 . . . . . . 12 LEU CD2 . 7401 2 165 . 1 1 12 12 LEU CG C 13 26.400 0.0 . . . . . . 12 LEU CG . 7401 2 166 . 1 1 12 12 LEU N N 15 121.629 0.0 . . . . . . 12 LEU N . 7401 2 167 . 1 1 13 13 LYS H H 1 8.287 0.0 . . . . . . 13 LYS H . 7401 2 168 . 1 1 13 13 LYS HA H 1 3.873 0.0 . . . . . . 13 LYS HA . 7401 2 169 . 1 1 13 13 LYS HB2 H 1 1.963 0.0 . . . . . . 13 LYS HB1 . 7401 2 170 . 1 1 13 13 LYS HB3 H 1 1.847 0.0 . . . . . . 13 LYS HB2 . 7401 2 171 . 1 1 13 13 LYS HD2 H 1 1.740 0.0 . . . . . . 13 LYS QD . 7401 2 172 . 1 1 13 13 LYS HD3 H 1 1.740 0.0 . . . . . . 13 LYS QD . 7401 2 173 . 1 1 13 13 LYS HE2 H 1 2.935 0.0 . . . . . . 13 LYS QE . 7401 2 174 . 1 1 13 13 LYS HE3 H 1 2.935 0.0 . . . . . . 13 LYS QE . 7401 2 175 . 1 1 13 13 LYS HG2 H 1 1.740 0.0 . . . . . . 13 LYS HG1 . 7401 2 176 . 1 1 13 13 LYS HG3 H 1 1.370 0.0 . . . . . . 13 LYS HG2 . 7401 2 177 . 1 1 13 13 LYS C C 13 179.394 0.0 . . . . . . 13 LYS C . 7401 2 178 . 1 1 13 13 LYS CA C 13 60.458 0.0 . . . . . . 13 LYS CA . 7401 2 179 . 1 1 13 13 LYS CB C 13 32.396 0.0 . . . . . . 13 LYS CB . 7401 2 180 . 1 1 13 13 LYS CD C 13 29.839 0.0 . . . . . . 13 LYS CD . 7401 2 181 . 1 1 13 13 LYS CE C 13 42.060 0.0 . . . . . . 13 LYS CE . 7401 2 182 . 1 1 13 13 LYS CG C 13 26.296 0.0 . . . . . . 13 LYS CG . 7401 2 183 . 1 1 13 13 LYS N N 15 118.621 0.0 . . . . . . 13 LYS N . 7401 2 184 . 1 1 14 14 GLU H H 1 8.026 0.0 . . . . . . 14 GLU H . 7401 2 185 . 1 1 14 14 GLU HA H 1 4.028 0.0 . . . . . . 14 GLU HA . 7401 2 186 . 1 1 14 14 GLU HB2 H 1 2.110 0.0 . . . . . . 14 GLU QB . 7401 2 187 . 1 1 14 14 GLU HB3 H 1 2.110 0.0 . . . . . . 14 GLU QB . 7401 2 188 . 1 1 14 14 GLU HG2 H 1 2.337 0.0 . . . . . . 14 GLU QG . 7401 2 189 . 1 1 14 14 GLU HG3 H 1 2.337 0.0 . . . . . . 14 GLU QG . 7401 2 190 . 1 1 14 14 GLU C C 13 177.980 0.0 . . . . . . 14 GLU C . 7401 2 191 . 1 1 14 14 GLU CA C 13 58.877 0.0 . . . . . . 14 GLU CA . 7401 2 192 . 1 1 14 14 GLU CB C 13 29.272 0.0 . . . . . . 14 GLU CB . 7401 2 193 . 1 1 14 14 GLU CG C 13 35.859 0.0 . . . . . . 14 GLU CG . 7401 2 194 . 1 1 14 14 GLU N N 15 119.195 0.0 . . . . . . 14 GLU N . 7401 2 195 . 1 1 15 15 PHE H H 1 7.992 0.0 . . . . . . 15 PHE H . 7401 2 196 . 1 1 15 15 PHE HA H 1 4.103 0.0 . . . . . . 15 PHE HA . 7401 2 197 . 1 1 15 15 PHE HB2 H 1 3.106 0.0 . . . . . . 15 PHE HB1 . 7401 2 198 . 1 1 15 15 PHE HB3 H 1 3.075 0.0 . . . . . . 15 PHE HB2 . 7401 2 199 . 1 1 15 15 PHE HD1 H 1 6.644 0.0 . . . . . . 15 PHE HD1 . 7401 2 200 . 1 1 15 15 PHE HD2 H 1 6.644 0.0 . . . . . . 15 PHE HD2 . 7401 2 201 . 1 1 15 15 PHE HE1 H 1 6.681 0.0 . . . . . . 15 PHE HE1 . 7401 2 202 . 1 1 15 15 PHE HE2 H 1 6.681 0.0 . . . . . . 15 PHE HE2 . 7401 2 203 . 1 1 15 15 PHE HZ H 1 6.632 0.0 . . . . . . 15 PHE HZ . 7401 2 204 . 1 1 15 15 PHE C C 13 178.967 0.0 . . . . . . 15 PHE C . 7401 2 205 . 1 1 15 15 PHE CA C 13 61.821 0.0 . . . . . . 15 PHE CA . 7401 2 206 . 1 1 15 15 PHE CB C 13 39.522 0.0 . . . . . . 15 PHE CB . 7401 2 207 . 1 1 15 15 PHE CD1 C 13 131.295 0.0 . . . . . . 15 PHE CD1 . 7401 2 208 . 1 1 15 15 PHE CD2 C 13 131.295 0.0 . . . . . . 15 PHE CD2 . 7401 2 209 . 1 1 15 15 PHE CE1 C 13 130.486 0.0 . . . . . . 15 PHE CE1 . 7401 2 210 . 1 1 15 15 PHE CE2 C 13 130.486 0.0 . . . . . . 15 PHE CE2 . 7401 2 211 . 1 1 15 15 PHE CZ C 13 128.847 0.0 . . . . . . 15 PHE CZ . 7401 2 212 . 1 1 15 15 PHE N N 15 120.395 0.0 . . . . . . 15 PHE N . 7401 2 213 . 1 1 16 16 VAL H H 1 8.217 0.0 . . . . . . 16 VAL H . 7401 2 214 . 1 1 16 16 VAL HA H 1 3.563 0.0 . . . . . . 16 VAL HA . 7401 2 215 . 1 1 16 16 VAL HB H 1 2.134 0.0 . . . . . . 16 VAL HB . 7401 2 216 . 1 1 16 16 VAL HG11 H 1 0.902 0.0 . . . . . . 16 VAL HG1 . 7401 2 217 . 1 1 16 16 VAL HG12 H 1 0.902 0.0 . . . . . . 16 VAL HG1 . 7401 2 218 . 1 1 16 16 VAL HG13 H 1 0.902 0.0 . . . . . . 16 VAL HG1 . 7401 2 219 . 1 1 16 16 VAL HG21 H 1 1.038 0.0 . . . . . . 16 VAL HG2 . 7401 2 220 . 1 1 16 16 VAL HG22 H 1 1.038 0.0 . . . . . . 16 VAL HG2 . 7401 2 221 . 1 1 16 16 VAL HG23 H 1 1.038 0.0 . . . . . . 16 VAL HG2 . 7401 2 222 . 1 1 16 16 VAL C C 13 177.758 0.0 . . . . . . 16 VAL C . 7401 2 223 . 1 1 16 16 VAL CA C 13 65.813 0.0 . . . . . . 16 VAL CA . 7401 2 224 . 1 1 16 16 VAL CB C 13 31.660 0.0 . . . . . . 16 VAL CB . 7401 2 225 . 1 1 16 16 VAL CG1 C 13 21.554 0.0 . . . . . . 16 VAL CG1 . 7401 2 226 . 1 1 16 16 VAL CG2 C 13 22.886 0.0 . . . . . . 16 VAL CG2 . 7401 2 227 . 1 1 16 16 VAL N N 15 118.358 0.0 . . . . . . 16 VAL N . 7401 2 228 . 1 1 17 17 LYS H H 1 7.727 0.0 . . . . . . 17 LYS H . 7401 2 229 . 1 1 17 17 LYS HA H 1 3.995 0.0 . . . . . . 17 LYS HA . 7401 2 230 . 1 1 17 17 LYS HB2 H 1 1.894 0.0 . . . . . . 17 LYS QB . 7401 2 231 . 1 1 17 17 LYS HB3 H 1 1.894 0.0 . . . . . . 17 LYS QB . 7401 2 232 . 1 1 17 17 LYS HD2 H 1 1.670 0.0 . . . . . . 17 LYS QD . 7401 2 233 . 1 1 17 17 LYS HD3 H 1 1.670 0.0 . . . . . . 17 LYS QD . 7401 2 234 . 1 1 17 17 LYS HE2 H 1 2.940 0.0 . . . . . . 17 LYS QE . 7401 2 235 . 1 1 17 17 LYS HE3 H 1 2.940 0.0 . . . . . . 17 LYS QE . 7401 2 236 . 1 1 17 17 LYS HG2 H 1 1.554 0.0 . . . . . . 17 LYS HG1 . 7401 2 237 . 1 1 17 17 LYS HG3 H 1 1.423 0.0 . . . . . . 17 LYS HG2 . 7401 2 238 . 1 1 17 17 LYS C C 13 178.125 0.0 . . . . . . 17 LYS C . 7401 2 239 . 1 1 17 17 LYS CA C 13 58.726 0.0 . . . . . . 17 LYS CA . 7401 2 240 . 1 1 17 17 LYS CB C 13 32.484 0.0 . . . . . . 17 LYS CB . 7401 2 241 . 1 1 17 17 LYS CD C 13 29.513 0.0 . . . . . . 17 LYS CD . 7401 2 242 . 1 1 17 17 LYS CE C 13 42.137 0.0 . . . . . . 17 LYS CE . 7401 2 243 . 1 1 17 17 LYS CG C 13 25.282 0.0 . . . . . . 17 LYS CG . 7401 2 244 . 1 1 17 17 LYS N N 15 119.329 0.0 . . . . . . 17 LYS N . 7401 2 245 . 1 1 18 18 ARG H H 1 7.437 0.0 . . . . . . 18 ARG H . 7401 2 246 . 1 1 18 18 ARG HA H 1 4.113 0.0 . . . . . . 18 ARG HA . 7401 2 247 . 1 1 18 18 ARG HB2 H 1 1.610 0.0 . . . . . . 18 ARG HB1 . 7401 2 248 . 1 1 18 18 ARG HB3 H 1 1.510 0.0 . . . . . . 18 ARG HB2 . 7401 2 249 . 1 1 18 18 ARG HD2 H 1 3.040 0.0 . . . . . . 18 ARG QD . 7401 2 250 . 1 1 18 18 ARG HD3 H 1 3.040 0.0 . . . . . . 18 ARG QD . 7401 2 251 . 1 1 18 18 ARG HE H 1 7.461 0.0 . . . . . . 18 ARG HE . 7401 2 252 . 1 1 18 18 ARG HG2 H 1 1.610 0.0 . . . . . . 18 ARG HG1 . 7401 2 253 . 1 1 18 18 ARG HG3 H 1 1.510 0.0 . . . . . . 18 ARG HG2 . 7401 2 254 . 1 1 18 18 ARG C C 13 175.673 0.0 . . . . . . 18 ARG C . 7401 2 255 . 1 1 18 18 ARG CA C 13 56.205 0.0 . . . . . . 18 ARG CA . 7401 2 256 . 1 1 18 18 ARG CB C 13 30.574 0.0 . . . . . . 18 ARG CB . 7401 2 257 . 1 1 18 18 ARG CD C 13 43.193 0.0 . . . . . . 18 ARG CD . 7401 2 258 . 1 1 18 18 ARG CG C 13 27.467 0.0 . . . . . . 18 ARG CG . 7401 2 259 . 1 1 18 18 ARG N N 15 114.952 0.0 . . . . . . 18 ARG N . 7401 2 260 . 1 1 18 18 ARG NE N 15 84.988 0.0 . . . . . . 18 ARG NE . 7401 2 261 . 1 1 19 19 HIS H H 1 7.558 0.0 . . . . . . 19 HIS H . 7401 2 262 . 1 1 19 19 HIS HA H 1 4.557 0.0 . . . . . . 19 HIS HA . 7401 2 263 . 1 1 19 19 HIS HB2 H 1 2.945 0.0 . . . . . . 19 HIS HB1 . 7401 2 264 . 1 1 19 19 HIS HB3 H 1 2.530 0.0 . . . . . . 19 HIS HB2 . 7401 2 265 . 1 1 19 19 HIS HD2 H 1 6.872 0.0 . . . . . . 19 HIS HD2 . 7401 2 266 . 1 1 19 19 HIS HE1 H 1 8.169 0.0 . . . . . . 19 HIS HE1 . 7401 2 267 . 1 1 19 19 HIS C C 13 173.395 0.0 . . . . . . 19 HIS C . 7401 2 268 . 1 1 19 19 HIS CA C 13 55.012 0.0 . . . . . . 19 HIS CA . 7401 2 269 . 1 1 19 19 HIS CB C 13 28.431 0.0 . . . . . . 19 HIS CB . 7401 2 270 . 1 1 19 19 HIS CD2 C 13 119.809 0.0 . . . . . . 19 HIS CD2 . 7401 2 271 . 1 1 19 19 HIS CE1 C 13 135.262 0.0 . . . . . . 19 HIS CE1 . 7401 2 272 . 1 1 19 19 HIS N N 15 118.364 0.0 . . . . . . 19 HIS N . 7401 2 273 . 1 1 20 20 GLN H H 1 8.357 0.0 . . . . . . 20 GLN H . 7401 2 274 . 1 1 20 20 GLN HA H 1 4.182 0.0 . . . . . . 20 GLN HA . 7401 2 275 . 1 1 20 20 GLN HB2 H 1 2.065 0.0 . . . . . . 20 GLN HB1 . 7401 2 276 . 1 1 20 20 GLN HB3 H 1 1.954 0.0 . . . . . . 20 GLN HB2 . 7401 2 277 . 1 1 20 20 GLN HE21 H 1 7.559 0.0 . . . . . . 20 GLN HE21 . 7401 2 278 . 1 1 20 20 GLN HE22 H 1 6.849 0.0 . . . . . . 20 GLN HE22 . 7401 2 279 . 1 1 20 20 GLN HG2 H 1 2.352 0.0 . . . . . . 20 GLN QG . 7401 2 280 . 1 1 20 20 GLN HG3 H 1 2.352 0.0 . . . . . . 20 GLN QG . 7401 2 281 . 1 1 20 20 GLN C C 13 176.511 0.0 . . . . . . 20 GLN C . 7401 2 282 . 1 1 20 20 GLN CA C 13 57.603 0.0 . . . . . . 20 GLN CA . 7401 2 283 . 1 1 20 20 GLN CB C 13 29.202 0.0 . . . . . . 20 GLN CB . 7401 2 284 . 1 1 20 20 GLN CG C 13 34.219 0.0 . . . . . . 20 GLN CG . 7401 2 285 . 1 1 20 20 GLN N N 15 119.849 0.0 . . . . . . 20 GLN N . 7401 2 286 . 1 1 20 20 GLN NE2 N 15 112.964 0.0 . . . . . . 20 GLN NE2 . 7401 2 287 . 1 1 21 21 ARG H H 1 8.440 0.0 . . . . . . 21 ARG H . 7401 2 288 . 1 1 21 21 ARG HA H 1 4.407 0.0 . . . . . . 21 ARG HA . 7401 2 289 . 1 1 21 21 ARG HB2 H 1 1.879 0.0 . . . . . . 21 ARG HB1 . 7401 2 290 . 1 1 21 21 ARG HB3 H 1 1.722 0.0 . . . . . . 21 ARG HB2 . 7401 2 291 . 1 1 21 21 ARG HD2 H 1 3.178 0.0 . . . . . . 21 ARG QD . 7401 2 292 . 1 1 21 21 ARG HD3 H 1 3.178 0.0 . . . . . . 21 ARG QD . 7401 2 293 . 1 1 21 21 ARG HE H 1 7.236 0.0 . . . . . . 21 ARG HE . 7401 2 294 . 1 1 21 21 ARG HG2 H 1 1.560 0.0 . . . . . . 21 ARG HG1 . 7401 2 295 . 1 1 21 21 ARG HG3 H 1 1.530 0.0 . . . . . . 21 ARG HG2 . 7401 2 296 . 1 1 21 21 ARG C C 13 175.494 0.0 . . . . . . 21 ARG C . 7401 2 297 . 1 1 21 21 ARG CA C 13 55.332 0.0 . . . . . . 21 ARG CA . 7401 2 298 . 1 1 21 21 ARG CB C 13 29.700 0.0 . . . . . . 21 ARG CB . 7401 2 299 . 1 1 21 21 ARG CD C 13 43.249 0.0 . . . . . . 21 ARG CD . 7401 2 300 . 1 1 21 21 ARG CG C 13 27.222 0.0 . . . . . . 21 ARG CG . 7401 2 301 . 1 1 21 21 ARG N N 15 118.830 0.0 . . . . . . 21 ARG N . 7401 2 302 . 1 1 21 21 ARG NE N 15 84.645 0.0 . . . . . . 21 ARG NE . 7401 2 303 . 1 1 22 22 ILE H H 1 7.933 0.0 . . . . . . 22 ILE H . 7401 2 304 . 1 1 22 22 ILE HA H 1 4.365 0.0 . . . . . . 22 ILE HA . 7401 2 305 . 1 1 22 22 ILE HB H 1 1.855 0.0 . . . . . . 22 ILE HB . 7401 2 306 . 1 1 22 22 ILE HD11 H 1 0.679 0.0 . . . . . . 22 ILE HD1 . 7401 2 307 . 1 1 22 22 ILE HD12 H 1 0.679 0.0 . . . . . . 22 ILE HD1 . 7401 2 308 . 1 1 22 22 ILE HD13 H 1 0.679 0.0 . . . . . . 22 ILE HD1 . 7401 2 309 . 1 1 22 22 ILE HG12 H 1 1.508 0.0 . . . . . . 22 ILE HG11 . 7401 2 310 . 1 1 22 22 ILE HG13 H 1 1.220 0.0 . . . . . . 22 ILE HG12 . 7401 2 311 . 1 1 22 22 ILE HG21 H 1 0.843 0.0 . . . . . . 22 ILE HG2 . 7401 2 312 . 1 1 22 22 ILE HG22 H 1 0.843 0.0 . . . . . . 22 ILE HG2 . 7401 2 313 . 1 1 22 22 ILE HG23 H 1 0.843 0.0 . . . . . . 22 ILE HG2 . 7401 2 314 . 1 1 22 22 ILE C C 13 175.243 0.0 . . . . . . 22 ILE C . 7401 2 315 . 1 1 22 22 ILE CA C 13 60.398 0.0 . . . . . . 22 ILE CA . 7401 2 316 . 1 1 22 22 ILE CB C 13 39.709 0.0 . . . . . . 22 ILE CB . 7401 2 317 . 1 1 22 22 ILE CD1 C 13 14.918 0.0 . . . . . . 22 ILE CD1 . 7401 2 318 . 1 1 22 22 ILE CG1 C 13 28.041 0.0 . . . . . . 22 ILE CG1 . 7401 2 319 . 1 1 22 22 ILE CG2 C 13 17.625 0.0 . . . . . . 22 ILE CG2 . 7401 2 320 . 1 1 22 22 ILE N N 15 122.192 0.0 . . . . . . 22 ILE N . 7401 2 321 . 1 1 23 23 THR H H 1 8.315 0.0 . . . . . . 23 THR H . 7401 2 322 . 1 1 23 23 THR HA H 1 4.594 0.0 . . . . . . 23 THR HA . 7401 2 323 . 1 1 23 23 THR HB H 1 4.705 0.0 . . . . . . 23 THR HB . 7401 2 324 . 1 1 23 23 THR HG21 H 1 1.304 0.0 . . . . . . 23 THR HG2 . 7401 2 325 . 1 1 23 23 THR HG22 H 1 1.304 0.0 . . . . . . 23 THR HG2 . 7401 2 326 . 1 1 23 23 THR HG23 H 1 1.304 0.0 . . . . . . 23 THR HG2 . 7401 2 327 . 1 1 23 23 THR C C 13 175.346 0.0 . . . . . . 23 THR C . 7401 2 328 . 1 1 23 23 THR CA C 13 60.311 0.0 . . . . . . 23 THR CA . 7401 2 329 . 1 1 23 23 THR CB C 13 71.371 0.0 . . . . . . 23 THR CB . 7401 2 330 . 1 1 23 23 THR CG2 C 13 21.799 0.0 . . . . . . 23 THR CG2 . 7401 2 331 . 1 1 23 23 THR N N 15 116.544 0.0 . . . . . . 23 THR N . 7401 2 332 . 1 1 24 24 GLN H H 1 9.026 0.0 . . . . . . 24 GLN H . 7401 2 333 . 1 1 24 24 GLN HA H 1 3.822 0.0 . . . . . . 24 GLN HA . 7401 2 334 . 1 1 24 24 GLN HB2 H 1 1.977 0.0 . . . . . . 24 GLN QB . 7401 2 335 . 1 1 24 24 GLN HB3 H 1 1.977 0.0 . . . . . . 24 GLN QB . 7401 2 336 . 1 1 24 24 GLN HE21 H 1 7.414 0.0 . . . . . . 24 GLN HE21 . 7401 2 337 . 1 1 24 24 GLN HE22 H 1 6.816 0.0 . . . . . . 24 GLN HE22 . 7401 2 338 . 1 1 24 24 GLN HG2 H 1 2.233 0.0 . . . . . . 24 GLN QG . 7401 2 339 . 1 1 24 24 GLN HG3 H 1 2.233 0.0 . . . . . . 24 GLN QG . 7401 2 340 . 1 1 24 24 GLN C C 13 178.403 0.0 . . . . . . 24 GLN C . 7401 2 341 . 1 1 24 24 GLN CA C 13 59.327 0.0 . . . . . . 24 GLN CA . 7401 2 342 . 1 1 24 24 GLN CB C 13 27.928 0.0 . . . . . . 24 GLN CB . 7401 2 343 . 1 1 24 24 GLN CG C 13 33.887 0.0 . . . . . . 24 GLN CG . 7401 2 344 . 1 1 24 24 GLN N N 15 121.425 0.0 . . . . . . 24 GLN N . 7401 2 345 . 1 1 24 24 GLN NE2 N 15 112.231 0.0 . . . . . . 24 GLN NE2 . 7401 2 346 . 1 1 25 25 GLU H H 1 8.779 0.0 . . . . . . 25 GLU H . 7401 2 347 . 1 1 25 25 GLU HA H 1 4.071 0.0 . . . . . . 25 GLU HA . 7401 2 348 . 1 1 25 25 GLU HB2 H 1 2.060 0.0 . . . . . . 25 GLU HB1 . 7401 2 349 . 1 1 25 25 GLU HB3 H 1 1.929 0.0 . . . . . . 25 GLU HB2 . 7401 2 350 . 1 1 25 25 GLU HG2 H 1 2.349 0.0 . . . . . . 25 GLU HG1 . 7401 2 351 . 1 1 25 25 GLU HG3 H 1 2.232 0.0 . . . . . . 25 GLU HG2 . 7401 2 352 . 1 1 25 25 GLU C C 13 179.068 0.0 . . . . . . 25 GLU C . 7401 2 353 . 1 1 25 25 GLU CA C 13 59.886 0.0 . . . . . . 25 GLU CA . 7401 2 354 . 1 1 25 25 GLU CB C 13 28.885 0.0 . . . . . . 25 GLU CB . 7401 2 355 . 1 1 25 25 GLU CG C 13 36.372 0.0 . . . . . . 25 GLU CG . 7401 2 356 . 1 1 25 25 GLU N N 15 119.131 0.0 . . . . . . 25 GLU N . 7401 2 357 . 1 1 26 26 GLU H H 1 7.757 0.0 . . . . . . 26 GLU H . 7401 2 358 . 1 1 26 26 GLU HA H 1 4.011 0.0 . . . . . . 26 GLU HA . 7401 2 359 . 1 1 26 26 GLU HB2 H 1 2.286 0.0 . . . . . . 26 GLU HB1 . 7401 2 360 . 1 1 26 26 GLU HB3 H 1 1.927 0.0 . . . . . . 26 GLU HB2 . 7401 2 361 . 1 1 26 26 GLU HG2 H 1 2.288 0.0 . . . . . . 26 GLU QG . 7401 2 362 . 1 1 26 26 GLU HG3 H 1 2.288 0.0 . . . . . . 26 GLU QG . 7401 2 363 . 1 1 26 26 GLU C C 13 179.745 0.0 . . . . . . 26 GLU C . 7401 2 364 . 1 1 26 26 GLU CA C 13 59.105 0.0 . . . . . . 26 GLU CA . 7401 2 365 . 1 1 26 26 GLU CB C 13 30.068 0.0 . . . . . . 26 GLU CB . 7401 2 366 . 1 1 26 26 GLU CG C 13 36.873 0.0 . . . . . . 26 GLU CG . 7401 2 367 . 1 1 26 26 GLU N N 15 120.177 0.0 . . . . . . 26 GLU N . 7401 2 368 . 1 1 27 27 LEU H H 1 8.218 0.0 . . . . . . 27 LEU H . 7401 2 369 . 1 1 27 27 LEU HA H 1 4.002 0.0 . . . . . . 27 LEU HA . 7401 2 370 . 1 1 27 27 LEU HB2 H 1 1.840 0.0 . . . . . . 27 LEU HB1 . 7401 2 371 . 1 1 27 27 LEU HB3 H 1 1.620 0.0 . . . . . . 27 LEU HB2 . 7401 2 372 . 1 1 27 27 LEU HD11 H 1 0.798 0.0 . . . . . . 27 LEU HD1 . 7401 2 373 . 1 1 27 27 LEU HD12 H 1 0.798 0.0 . . . . . . 27 LEU HD1 . 7401 2 374 . 1 1 27 27 LEU HD13 H 1 0.798 0.0 . . . . . . 27 LEU HD1 . 7401 2 375 . 1 1 27 27 LEU HD21 H 1 0.870 0.0 . . . . . . 27 LEU HD2 . 7401 2 376 . 1 1 27 27 LEU HD22 H 1 0.870 0.0 . . . . . . 27 LEU HD2 . 7401 2 377 . 1 1 27 27 LEU HD23 H 1 0.870 0.0 . . . . . . 27 LEU HD2 . 7401 2 378 . 1 1 27 27 LEU HG H 1 1.600 0.0 . . . . . . 27 LEU HG . 7401 2 379 . 1 1 27 27 LEU C C 13 177.931 0.0 . . . . . . 27 LEU C . 7401 2 380 . 1 1 27 27 LEU CA C 13 58.090 0.0 . . . . . . 27 LEU CA . 7401 2 381 . 1 1 27 27 LEU CB C 13 41.532 0.0 . . . . . . 27 LEU CB . 7401 2 382 . 1 1 27 27 LEU CD1 C 13 25.242 0.0 . . . . . . 27 LEU CD1 . 7401 2 383 . 1 1 27 27 LEU CD2 C 13 24.365 0.0 . . . . . . 27 LEU CD2 . 7401 2 384 . 1 1 27 27 LEU CG C 13 27.464 0.0 . . . . . . 27 LEU CG . 7401 2 385 . 1 1 27 27 LEU N N 15 121.600 0.0 . . . . . . 27 LEU N . 7401 2 386 . 1 1 28 28 HIS H H 1 8.702 0.0 . . . . . . 28 HIS H . 7401 2 387 . 1 1 28 28 HIS HA H 1 4.081 0.0 . . . . . . 28 HIS HA . 7401 2 388 . 1 1 28 28 HIS HB2 H 1 3.400 0.0 . . . . . . 28 HIS QB . 7401 2 389 . 1 1 28 28 HIS HB3 H 1 3.400 0.0 . . . . . . 28 HIS QB . 7401 2 390 . 1 1 28 28 HIS HD2 H 1 7.171 0.0 . . . . . . 28 HIS HD2 . 7401 2 391 . 1 1 28 28 HIS HE1 H 1 8.502 0.0 . . . . . . 28 HIS HE1 . 7401 2 392 . 1 1 28 28 HIS C C 13 176.898 0.0 . . . . . . 28 HIS C . 7401 2 393 . 1 1 28 28 HIS CA C 13 59.525 0.0 . . . . . . 28 HIS CA . 7401 2 394 . 1 1 28 28 HIS CB C 13 28.448 0.0 . . . . . . 28 HIS CB . 7401 2 395 . 1 1 28 28 HIS CD2 C 13 119.747 0.0 . . . . . . 28 HIS CD2 . 7401 2 396 . 1 1 28 28 HIS CE1 C 13 136.269 0.0 . . . . . . 28 HIS CE1 . 7401 2 397 . 1 1 28 28 HIS N N 15 117.889 0.0 . . . . . . 28 HIS N . 7401 2 398 . 1 1 29 29 GLN H H 1 8.144 0.0 . . . . . . 29 GLN H . 7401 2 399 . 1 1 29 29 GLN HA H 1 4.015 0.0 . . . . . . 29 GLN HA . 7401 2 400 . 1 1 29 29 GLN HB2 H 1 2.177 0.0 . . . . . . 29 GLN HB1 . 7401 2 401 . 1 1 29 29 GLN HB3 H 1 2.096 0.0 . . . . . . 29 GLN HB2 . 7401 2 402 . 1 1 29 29 GLN HE21 H 1 7.599 0.0 . . . . . . 29 GLN HE21 . 7401 2 403 . 1 1 29 29 GLN HE22 H 1 6.846 0.0 . . . . . . 29 GLN HE22 . 7401 2 404 . 1 1 29 29 GLN HG2 H 1 2.546 0.0 . . . . . . 29 GLN HG1 . 7401 2 405 . 1 1 29 29 GLN HG3 H 1 2.364 0.0 . . . . . . 29 GLN HG2 . 7401 2 406 . 1 1 29 29 GLN C C 13 178.391 0.0 . . . . . . 29 GLN C . 7401 2 407 . 1 1 29 29 GLN CA C 13 58.731 0.0 . . . . . . 29 GLN CA . 7401 2 408 . 1 1 29 29 GLN CB C 13 28.341 0.0 . . . . . . 29 GLN CB . 7401 2 409 . 1 1 29 29 GLN CG C 13 34.082 0.0 . . . . . . 29 GLN CG . 7401 2 410 . 1 1 29 29 GLN N N 15 117.611 0.0 . . . . . . 29 GLN N . 7401 2 411 . 1 1 29 29 GLN NE2 N 15 111.984 0.0 . . . . . . 29 GLN NE2 . 7401 2 412 . 1 1 30 30 TYR H H 1 7.936 0.0 . . . . . . 30 TYR H . 7401 2 413 . 1 1 30 30 TYR HA H 1 3.992 0.0 . . . . . . 30 TYR HA . 7401 2 414 . 1 1 30 30 TYR HB2 H 1 2.720 0.0 . . . . . . 30 TYR HB1 . 7401 2 415 . 1 1 30 30 TYR HB3 H 1 2.432 0.0 . . . . . . 30 TYR HB2 . 7401 2 416 . 1 1 30 30 TYR HD1 H 1 6.447 0.0 . . . . . . 30 TYR HD1 . 7401 2 417 . 1 1 30 30 TYR HD2 H 1 6.447 0.0 . . . . . . 30 TYR HD2 . 7401 2 418 . 1 1 30 30 TYR HE1 H 1 6.356 0.0 . . . . . . 30 TYR HE1 . 7401 2 419 . 1 1 30 30 TYR HE2 H 1 6.356 0.0 . . . . . . 30 TYR HE2 . 7401 2 420 . 1 1 30 30 TYR C C 13 176.952 0.0 . . . . . . 30 TYR C . 7401 2 421 . 1 1 30 30 TYR CA C 13 61.150 0.0 . . . . . . 30 TYR CA . 7401 2 422 . 1 1 30 30 TYR CB C 13 38.227 0.0 . . . . . . 30 TYR CB . 7401 2 423 . 1 1 30 30 TYR CD1 C 13 132.028 0.0 . . . . . . 30 TYR CD1 . 7401 2 424 . 1 1 30 30 TYR CD2 C 13 132.028 0.0 . . . . . . 30 TYR CD2 . 7401 2 425 . 1 1 30 30 TYR CE1 C 13 117.657 0.0 . . . . . . 30 TYR CE1 . 7401 2 426 . 1 1 30 30 TYR CE2 C 13 117.657 0.0 . . . . . . 30 TYR CE2 . 7401 2 427 . 1 1 30 30 TYR N N 15 120.981 0.0 . . . . . . 30 TYR N . 7401 2 428 . 1 1 31 31 ALA H H 1 8.291 0.0 . . . . . . 31 ALA H . 7401 2 429 . 1 1 31 31 ALA HA H 1 3.521 0.0 . . . . . . 31 ALA HA . 7401 2 430 . 1 1 31 31 ALA HB1 H 1 1.268 0.0 . . . . . . 31 ALA HB . 7401 2 431 . 1 1 31 31 ALA HB2 H 1 1.268 0.0 . . . . . . 31 ALA HB . 7401 2 432 . 1 1 31 31 ALA HB3 H 1 1.268 0.0 . . . . . . 31 ALA HB . 7401 2 433 . 1 1 31 31 ALA C C 13 179.382 0.0 . . . . . . 31 ALA C . 7401 2 434 . 1 1 31 31 ALA CA C 13 55.110 0.0 . . . . . . 31 ALA CA . 7401 2 435 . 1 1 31 31 ALA CB C 13 18.037 0.0 . . . . . . 31 ALA CB . 7401 2 436 . 1 1 31 31 ALA N N 15 119.500 0.0 . . . . . . 31 ALA N . 7401 2 437 . 1 1 32 32 GLN H H 1 8.001 0.0 . . . . . . 32 GLN H . 7401 2 438 . 1 1 32 32 GLN HA H 1 4.030 0.0 . . . . . . 32 GLN HA . 7401 2 439 . 1 1 32 32 GLN HB2 H 1 2.004 0.0 . . . . . . 32 GLN QB . 7401 2 440 . 1 1 32 32 GLN HB3 H 1 2.004 0.0 . . . . . . 32 GLN QB . 7401 2 441 . 1 1 32 32 GLN HE21 H 1 7.486 0.0 . . . . . . 32 GLN HE21 . 7401 2 442 . 1 1 32 32 GLN HE22 H 1 6.789 0.0 . . . . . . 32 GLN HE22 . 7401 2 443 . 1 1 32 32 GLN HG2 H 1 2.340 0.0 . . . . . . 32 GLN HG1 . 7401 2 444 . 1 1 32 32 GLN HG3 H 1 2.201 0.0 . . . . . . 32 GLN HG2 . 7401 2 445 . 1 1 32 32 GLN C C 13 180.078 0.0 . . . . . . 32 GLN C . 7401 2 446 . 1 1 32 32 GLN CA C 13 58.744 0.0 . . . . . . 32 GLN CA . 7401 2 447 . 1 1 32 32 GLN CB C 13 28.502 0.0 . . . . . . 32 GLN CB . 7401 2 448 . 1 1 32 32 GLN CG C 13 34.183 0.0 . . . . . . 32 GLN CG . 7401 2 449 . 1 1 32 32 GLN N N 15 116.487 0.0 . . . . . . 32 GLN N . 7401 2 450 . 1 1 32 32 GLN NE2 N 15 111.803 0.0 . . . . . . 32 GLN NE2 . 7401 2 451 . 1 1 33 33 ARG H H 1 7.822 0.0 . . . . . . 33 ARG H . 7401 2 452 . 1 1 33 33 ARG HA H 1 3.973 0.0 . . . . . . 33 ARG HA . 7401 2 453 . 1 1 33 33 ARG HB2 H 1 1.824 0.0 . . . . . . 33 ARG QB . 7401 2 454 . 1 1 33 33 ARG HB3 H 1 1.824 0.0 . . . . . . 33 ARG QB . 7401 2 455 . 1 1 33 33 ARG HD2 H 1 3.105 0.0 . . . . . . 33 ARG QD . 7401 2 456 . 1 1 33 33 ARG HD3 H 1 3.105 0.0 . . . . . . 33 ARG QD . 7401 2 457 . 1 1 33 33 ARG HE H 1 7.234 0.0 . . . . . . 33 ARG HE . 7401 2 458 . 1 1 33 33 ARG HG2 H 1 1.730 0.0 . . . . . . 33 ARG HG1 . 7401 2 459 . 1 1 33 33 ARG HG3 H 1 1.564 0.0 . . . . . . 33 ARG HG2 . 7401 2 460 . 1 1 33 33 ARG C C 13 178.198 0.0 . . . . . . 33 ARG C . 7401 2 461 . 1 1 33 33 ARG CA C 13 58.733 0.0 . . . . . . 33 ARG CA . 7401 2 462 . 1 1 33 33 ARG CB C 13 29.583 0.0 . . . . . . 33 ARG CB . 7401 2 463 . 1 1 33 33 ARG CD C 13 43.596 0.0 . . . . . . 33 ARG CD . 7401 2 464 . 1 1 33 33 ARG CG C 13 27.596 0.0 . . . . . . 33 ARG CG . 7401 2 465 . 1 1 33 33 ARG N N 15 121.286 0.0 . . . . . . 33 ARG N . 7401 2 466 . 1 1 33 33 ARG NE N 15 84.347 0.0 . . . . . . 33 ARG NE . 7401 2 467 . 1 1 34 34 LEU H H 1 7.402 0.0 . . . . . . 34 LEU H . 7401 2 468 . 1 1 34 34 LEU HA H 1 4.076 0.0 . . . . . . 34 LEU HA . 7401 2 469 . 1 1 34 34 LEU HB2 H 1 1.487 0.0 . . . . . . 34 LEU HB1 . 7401 2 470 . 1 1 34 34 LEU HB3 H 1 1.372 0.0 . . . . . . 34 LEU HB2 . 7401 2 471 . 1 1 34 34 LEU HD11 H 1 0.401 0.0 . . . . . . 34 LEU HD1 . 7401 2 472 . 1 1 34 34 LEU HD12 H 1 0.401 0.0 . . . . . . 34 LEU HD1 . 7401 2 473 . 1 1 34 34 LEU HD13 H 1 0.401 0.0 . . . . . . 34 LEU HD1 . 7401 2 474 . 1 1 34 34 LEU HD21 H 1 0.553 0.0 . . . . . . 34 LEU HD2 . 7401 2 475 . 1 1 34 34 LEU HD22 H 1 0.553 0.0 . . . . . . 34 LEU HD2 . 7401 2 476 . 1 1 34 34 LEU HD23 H 1 0.553 0.0 . . . . . . 34 LEU HD2 . 7401 2 477 . 1 1 34 34 LEU HG H 1 1.214 0.0 . . . . . . 34 LEU HG . 7401 2 478 . 1 1 34 34 LEU C C 13 177.110 0.0 . . . . . . 34 LEU C . 7401 2 479 . 1 1 34 34 LEU CA C 13 54.828 0.0 . . . . . . 34 LEU CA . 7401 2 480 . 1 1 34 34 LEU CB C 13 42.063 0.0 . . . . . . 34 LEU CB . 7401 2 481 . 1 1 34 34 LEU CD1 C 13 25.977 0.0 . . . . . . 34 LEU CD1 . 7401 2 482 . 1 1 34 34 LEU CD2 C 13 22.278 0.0 . . . . . . 34 LEU CD2 . 7401 2 483 . 1 1 34 34 LEU CG C 13 26.390 0.0 . . . . . . 34 LEU CG . 7401 2 484 . 1 1 34 34 LEU N N 15 117.225 0.0 . . . . . . 34 LEU N . 7401 2 485 . 1 1 35 35 GLY H H 1 7.688 0.0 . . . . . . 35 GLY H . 7401 2 486 . 1 1 35 35 GLY HA2 H 1 4.068 0.0 . . . . . . 35 GLY HA1 . 7401 2 487 . 1 1 35 35 GLY HA3 H 1 3.702 0.0 . . . . . . 35 GLY HA2 . 7401 2 488 . 1 1 35 35 GLY C C 13 174.465 0.0 . . . . . . 35 GLY C . 7401 2 489 . 1 1 35 35 GLY CA C 13 45.442 0.0 . . . . . . 35 GLY CA . 7401 2 490 . 1 1 35 35 GLY N N 15 107.041 0.0 . . . . . . 35 GLY N . 7401 2 491 . 1 1 36 36 LEU H H 1 7.362 0.0 . . . . . . 36 LEU H . 7401 2 492 . 1 1 36 36 LEU HA H 1 4.408 0.0 . . . . . . 36 LEU HA . 7401 2 493 . 1 1 36 36 LEU HB2 H 1 1.417 0.0 . . . . . . 36 LEU HB1 . 7401 2 494 . 1 1 36 36 LEU HB3 H 1 1.242 0.0 . . . . . . 36 LEU HB2 . 7401 2 495 . 1 1 36 36 LEU HD11 H 1 0.521 0.0 . . . . . . 36 LEU HD1 . 7401 2 496 . 1 1 36 36 LEU HD12 H 1 0.521 0.0 . . . . . . 36 LEU HD1 . 7401 2 497 . 1 1 36 36 LEU HD13 H 1 0.521 0.0 . . . . . . 36 LEU HD1 . 7401 2 498 . 1 1 36 36 LEU HD21 H 1 0.619 0.0 . . . . . . 36 LEU HD2 . 7401 2 499 . 1 1 36 36 LEU HD22 H 1 0.619 0.0 . . . . . . 36 LEU HD2 . 7401 2 500 . 1 1 36 36 LEU HD23 H 1 0.619 0.0 . . . . . . 36 LEU HD2 . 7401 2 501 . 1 1 36 36 LEU HG H 1 1.470 0.0 . . . . . . 36 LEU HG . 7401 2 502 . 1 1 36 36 LEU C C 13 176.067 0.0 . . . . . . 36 LEU C . 7401 2 503 . 1 1 36 36 LEU CA C 13 54.532 0.0 . . . . . . 36 LEU CA . 7401 2 504 . 1 1 36 36 LEU CB C 13 43.277 0.0 . . . . . . 36 LEU CB . 7401 2 505 . 1 1 36 36 LEU CD1 C 13 25.356 0.0 . . . . . . 36 LEU CD1 . 7401 2 506 . 1 1 36 36 LEU CD2 C 13 23.538 0.0 . . . . . . 36 LEU CD2 . 7401 2 507 . 1 1 36 36 LEU CG C 13 27.850 0.0 . . . . . . 36 LEU CG . 7401 2 508 . 1 1 36 36 LEU N N 15 120.082 0.0 . . . . . . 36 LEU N . 7401 2 509 . 1 1 37 37 ASN H H 1 8.323 0.0 . . . . . . 37 ASN H . 7401 2 510 . 1 1 37 37 ASN HA H 1 4.633 0.0 . . . . . . 37 ASN HA . 7401 2 511 . 1 1 37 37 ASN HB2 H 1 3.184 0.0 . . . . . . 37 ASN HB1 . 7401 2 512 . 1 1 37 37 ASN HB3 H 1 2.917 0.0 . . . . . . 37 ASN HB2 . 7401 2 513 . 1 1 37 37 ASN HD21 H 1 7.695 0.0 . . . . . . 37 ASN HD21 . 7401 2 514 . 1 1 37 37 ASN HD22 H 1 6.964 0.0 . . . . . . 37 ASN HD22 . 7401 2 515 . 1 1 37 37 ASN C C 13 175.291 0.0 . . . . . . 37 ASN C . 7401 2 516 . 1 1 37 37 ASN CA C 13 51.934 0.0 . . . . . . 37 ASN CA . 7401 2 517 . 1 1 37 37 ASN CB C 13 38.603 0.0 . . . . . . 37 ASN CB . 7401 2 518 . 1 1 37 37 ASN N N 15 119.435 0.0 . . . . . . 37 ASN N . 7401 2 519 . 1 1 37 37 ASN ND2 N 15 112.374 0.0 . . . . . . 37 ASN ND2 . 7401 2 520 . 1 1 38 38 GLU H H 1 8.741 0.0 . . . . . . 38 GLU H . 7401 2 521 . 1 1 38 38 GLU HA H 1 3.800 0.0 . . . . . . 38 GLU HA . 7401 2 522 . 1 1 38 38 GLU HB2 H 1 2.056 0.0 . . . . . . 38 GLU QB . 7401 2 523 . 1 1 38 38 GLU HB3 H 1 2.056 0.0 . . . . . . 38 GLU QB . 7401 2 524 . 1 1 38 38 GLU HG2 H 1 2.362 0.0 . . . . . . 38 GLU QG . 7401 2 525 . 1 1 38 38 GLU HG3 H 1 2.362 0.0 . . . . . . 38 GLU QG . 7401 2 526 . 1 1 38 38 GLU C C 13 178.574 0.0 . . . . . . 38 GLU C . 7401 2 527 . 1 1 38 38 GLU CA C 13 59.981 0.0 . . . . . . 38 GLU CA . 7401 2 528 . 1 1 38 38 GLU CB C 13 29.425 0.0 . . . . . . 38 GLU CB . 7401 2 529 . 1 1 38 38 GLU CG C 13 36.238 0.0 . . . . . . 38 GLU CG . 7401 2 530 . 1 1 38 38 GLU N N 15 120.477 0.0 . . . . . . 38 GLU N . 7401 2 531 . 1 1 39 39 GLU H H 1 8.423 0.0 . . . . . . 39 GLU H . 7401 2 532 . 1 1 39 39 GLU HA H 1 4.099 0.0 . . . . . . 39 GLU HA . 7401 2 533 . 1 1 39 39 GLU HB2 H 1 2.086 0.0 . . . . . . 39 GLU HB1 . 7401 2 534 . 1 1 39 39 GLU HB3 H 1 1.992 0.0 . . . . . . 39 GLU HB2 . 7401 2 535 . 1 1 39 39 GLU HG2 H 1 2.318 0.0 . . . . . . 39 GLU QG . 7401 2 536 . 1 1 39 39 GLU HG3 H 1 2.318 0.0 . . . . . . 39 GLU QG . 7401 2 537 . 1 1 39 39 GLU C C 13 178.419 0.0 . . . . . . 39 GLU C . 7401 2 538 . 1 1 39 39 GLU CA C 13 59.225 0.0 . . . . . . 39 GLU CA . 7401 2 539 . 1 1 39 39 GLU CB C 13 28.744 0.0 . . . . . . 39 GLU CB . 7401 2 540 . 1 1 39 39 GLU CG C 13 36.222 0.0 . . . . . . 39 GLU CG . 7401 2 541 . 1 1 39 39 GLU N N 15 119.763 0.0 . . . . . . 39 GLU N . 7401 2 542 . 1 1 40 40 ALA H H 1 8.066 0.0 . . . . . . 40 ALA H . 7401 2 543 . 1 1 40 40 ALA HA H 1 4.232 0.0 . . . . . . 40 ALA HA . 7401 2 544 . 1 1 40 40 ALA HB1 H 1 1.552 0.0 . . . . . . 40 ALA HB . 7401 2 545 . 1 1 40 40 ALA HB2 H 1 1.552 0.0 . . . . . . 40 ALA HB . 7401 2 546 . 1 1 40 40 ALA HB3 H 1 1.552 0.0 . . . . . . 40 ALA HB . 7401 2 547 . 1 1 40 40 ALA C C 13 180.221 0.0 . . . . . . 40 ALA C . 7401 2 548 . 1 1 40 40 ALA CA C 13 54.785 0.0 . . . . . . 40 ALA CA . 7401 2 549 . 1 1 40 40 ALA CB C 13 18.820 0.0 . . . . . . 40 ALA CB . 7401 2 550 . 1 1 40 40 ALA N N 15 122.659 0.0 . . . . . . 40 ALA N . 7401 2 551 . 1 1 41 41 ILE H H 1 8.082 0.0 . . . . . . 41 ILE H . 7401 2 552 . 1 1 41 41 ILE HA H 1 3.457 0.0 . . . . . . 41 ILE HA . 7401 2 553 . 1 1 41 41 ILE HB H 1 1.800 0.0 . . . . . . 41 ILE HB . 7401 2 554 . 1 1 41 41 ILE HD11 H 1 0.530 0.0 . . . . . . 41 ILE HD1 . 7401 2 555 . 1 1 41 41 ILE HD12 H 1 0.530 0.0 . . . . . . 41 ILE HD1 . 7401 2 556 . 1 1 41 41 ILE HD13 H 1 0.530 0.0 . . . . . . 41 ILE HD1 . 7401 2 557 . 1 1 41 41 ILE HG12 H 1 1.830 0.0 . . . . . . 41 ILE HG11 . 7401 2 558 . 1 1 41 41 ILE HG13 H 1 1.730 0.0 . . . . . . 41 ILE HG12 . 7401 2 559 . 1 1 41 41 ILE HG21 H 1 0.650 0.0 . . . . . . 41 ILE HG2 . 7401 2 560 . 1 1 41 41 ILE HG22 H 1 0.650 0.0 . . . . . . 41 ILE HG2 . 7401 2 561 . 1 1 41 41 ILE HG23 H 1 0.650 0.0 . . . . . . 41 ILE HG2 . 7401 2 562 . 1 1 41 41 ILE C C 13 177.050 0.0 . . . . . . 41 ILE C . 7401 2 563 . 1 1 41 41 ILE CA C 13 65.450 0.0 . . . . . . 41 ILE CA . 7401 2 564 . 1 1 41 41 ILE CB C 13 37.585 0.0 . . . . . . 41 ILE CB . 7401 2 565 . 1 1 41 41 ILE CD1 C 13 13.671 0.0 . . . . . . 41 ILE CD1 . 7401 2 566 . 1 1 41 41 ILE CG1 C 13 29.473 0.0 . . . . . . 41 ILE CG1 . 7401 2 567 . 1 1 41 41 ILE CG2 C 13 17.947 0.0 . . . . . . 41 ILE CG2 . 7401 2 568 . 1 1 41 41 ILE N N 15 118.192 0.0 . . . . . . 41 ILE N . 7401 2 569 . 1 1 42 42 ARG H H 1 8.066 0.0 . . . . . . 42 ARG H . 7401 2 570 . 1 1 42 42 ARG HA H 1 4.012 0.0 . . . . . . 42 ARG HA . 7401 2 571 . 1 1 42 42 ARG HB2 H 1 1.981 0.0 . . . . . . 42 ARG QB . 7401 2 572 . 1 1 42 42 ARG HB3 H 1 1.981 0.0 . . . . . . 42 ARG QB . 7401 2 573 . 1 1 42 42 ARG HD2 H 1 3.240 0.0 . . . . . . 42 ARG QD . 7401 2 574 . 1 1 42 42 ARG HD3 H 1 3.240 0.0 . . . . . . 42 ARG QD . 7401 2 575 . 1 1 42 42 ARG HE H 1 7.685 0.0 . . . . . . 42 ARG HE . 7401 2 576 . 1 1 42 42 ARG HG2 H 1 1.778 0.0 . . . . . . 42 ARG HG1 . 7401 2 577 . 1 1 42 42 ARG HG3 H 1 1.591 0.0 . . . . . . 42 ARG HG2 . 7401 2 578 . 1 1 42 42 ARG C C 13 179.248 0.0 . . . . . . 42 ARG C . 7401 2 579 . 1 1 42 42 ARG CA C 13 59.922 0.0 . . . . . . 42 ARG CA . 7401 2 580 . 1 1 42 42 ARG CB C 13 29.670 0.0 . . . . . . 42 ARG CB . 7401 2 581 . 1 1 42 42 ARG CD C 13 43.290 0.0 . . . . . . 42 ARG CD . 7401 2 582 . 1 1 42 42 ARG CG C 13 27.437 0.0 . . . . . . 42 ARG CG . 7401 2 583 . 1 1 42 42 ARG N N 15 119.922 0.0 . . . . . . 42 ARG N . 7401 2 584 . 1 1 42 42 ARG NE N 15 83.973 0.0 . . . . . . 42 ARG NE . 7401 2 585 . 1 1 43 43 GLN H H 1 8.099 0.0 . . . . . . 43 GLN H . 7401 2 586 . 1 1 43 43 GLN HA H 1 4.066 0.0 . . . . . . 43 GLN HA . 7401 2 587 . 1 1 43 43 GLN HB2 H 1 2.270 0.0 . . . . . . 43 GLN HB1 . 7401 2 588 . 1 1 43 43 GLN HB3 H 1 2.230 0.0 . . . . . . 43 GLN HB2 . 7401 2 589 . 1 1 43 43 GLN HE21 H 1 7.695 0.0 . . . . . . 43 GLN HE21 . 7401 2 590 . 1 1 43 43 GLN HE22 H 1 6.777 0.0 . . . . . . 43 GLN HE22 . 7401 2 591 . 1 1 43 43 GLN HG2 H 1 2.553 0.0 . . . . . . 43 GLN HG1 . 7401 2 592 . 1 1 43 43 GLN HG3 H 1 2.403 0.0 . . . . . . 43 GLN HG2 . 7401 2 593 . 1 1 43 43 GLN C C 13 178.204 0.0 . . . . . . 43 GLN C . 7401 2 594 . 1 1 43 43 GLN CA C 13 58.959 0.0 . . . . . . 43 GLN CA . 7401 2 595 . 1 1 43 43 GLN CB C 13 28.186 0.0 . . . . . . 43 GLN CB . 7401 2 596 . 1 1 43 43 GLN CG C 13 33.893 0.0 . . . . . . 43 GLN CG . 7401 2 597 . 1 1 43 43 GLN N N 15 118.073 0.0 . . . . . . 43 GLN N . 7401 2 598 . 1 1 43 43 GLN NE2 N 15 112.032 0.0 . . . . . . 43 GLN NE2 . 7401 2 599 . 1 1 44 44 PHE H H 1 8.364 0.0 . . . . . . 44 PHE H . 7401 2 600 . 1 1 44 44 PHE HA H 1 4.054 0.0 . . . . . . 44 PHE HA . 7401 2 601 . 1 1 44 44 PHE HB2 H 1 2.940 0.0 . . . . . . 44 PHE HB1 . 7401 2 602 . 1 1 44 44 PHE HB3 H 1 2.787 0.0 . . . . . . 44 PHE HB2 . 7401 2 603 . 1 1 44 44 PHE HD1 H 1 6.500 0.0 . . . . . . 44 PHE HD1 . 7401 2 604 . 1 1 44 44 PHE HD2 H 1 6.500 0.0 . . . . . . 44 PHE HD2 . 7401 2 605 . 1 1 44 44 PHE HE1 H 1 6.827 0.0 . . . . . . 44 PHE HE1 . 7401 2 606 . 1 1 44 44 PHE HE2 H 1 6.827 0.0 . . . . . . 44 PHE HE2 . 7401 2 607 . 1 1 44 44 PHE HZ H 1 6.791 0.0 . . . . . . 44 PHE HZ . 7401 2 608 . 1 1 44 44 PHE C C 13 177.659 0.0 . . . . . . 44 PHE C . 7401 2 609 . 1 1 44 44 PHE CA C 13 61.548 0.0 . . . . . . 44 PHE CA . 7401 2 610 . 1 1 44 44 PHE CB C 13 38.444 0.0 . . . . . . 44 PHE CB . 7401 2 611 . 1 1 44 44 PHE CD1 C 13 131.791 0.0 . . . . . . 44 PHE CD1 . 7401 2 612 . 1 1 44 44 PHE CD2 C 13 131.791 0.0 . . . . . . 44 PHE CD2 . 7401 2 613 . 1 1 44 44 PHE CE1 C 13 130.731 0.0 . . . . . . 44 PHE CE1 . 7401 2 614 . 1 1 44 44 PHE CE2 C 13 130.731 0.0 . . . . . . 44 PHE CE2 . 7401 2 615 . 1 1 44 44 PHE CZ C 13 129.925 0.0 . . . . . . 44 PHE CZ . 7401 2 616 . 1 1 44 44 PHE N N 15 121.120 0.0 . . . . . . 44 PHE N . 7401 2 617 . 1 1 45 45 PHE H H 1 8.491 0.0 . . . . . . 45 PHE H . 7401 2 618 . 1 1 45 45 PHE HA H 1 4.203 0.0 . . . . . . 45 PHE HA . 7401 2 619 . 1 1 45 45 PHE HB2 H 1 3.297 0.0 . . . . . . 45 PHE HB1 . 7401 2 620 . 1 1 45 45 PHE HB3 H 1 3.180 0.0 . . . . . . 45 PHE HB2 . 7401 2 621 . 1 1 45 45 PHE HD1 H 1 7.363 0.0 . . . . . . 45 PHE HD1 . 7401 2 622 . 1 1 45 45 PHE HD2 H 1 7.363 0.0 . . . . . . 45 PHE HD2 . 7401 2 623 . 1 1 45 45 PHE HE1 H 1 7.175 0.0 . . . . . . 45 PHE HE1 . 7401 2 624 . 1 1 45 45 PHE HE2 H 1 7.175 0.0 . . . . . . 45 PHE HE2 . 7401 2 625 . 1 1 45 45 PHE HZ H 1 7.089 0.0 . . . . . . 45 PHE HZ . 7401 2 626 . 1 1 45 45 PHE C C 13 177.906 0.0 . . . . . . 45 PHE C . 7401 2 627 . 1 1 45 45 PHE CA C 13 61.053 0.0 . . . . . . 45 PHE CA . 7401 2 628 . 1 1 45 45 PHE CB C 13 38.306 0.0 . . . . . . 45 PHE CB . 7401 2 629 . 1 1 45 45 PHE CD1 C 13 131.528 0.0 . . . . . . 45 PHE CD1 . 7401 2 630 . 1 1 45 45 PHE CD2 C 13 131.528 0.0 . . . . . . 45 PHE CD2 . 7401 2 631 . 1 1 45 45 PHE CE1 C 13 130.916 0.0 . . . . . . 45 PHE CE1 . 7401 2 632 . 1 1 45 45 PHE CE2 C 13 130.916 0.0 . . . . . . 45 PHE CE2 . 7401 2 633 . 1 1 45 45 PHE CZ C 13 129.222 0.0 . . . . . . 45 PHE CZ . 7401 2 634 . 1 1 45 45 PHE N N 15 117.646 0.0 . . . . . . 45 PHE N . 7401 2 635 . 1 1 46 46 GLU H H 1 8.172 0.0 . . . . . . 46 GLU H . 7401 2 636 . 1 1 46 46 GLU HA H 1 4.080 0.0 . . . . . . 46 GLU HA . 7401 2 637 . 1 1 46 46 GLU HB2 H 1 2.189 0.0 . . . . . . 46 GLU HB1 . 7401 2 638 . 1 1 46 46 GLU HB3 H 1 2.100 0.0 . . . . . . 46 GLU HB2 . 7401 2 639 . 1 1 46 46 GLU HG2 H 1 2.498 0.0 . . . . . . 46 GLU HG1 . 7401 2 640 . 1 1 46 46 GLU HG3 H 1 2.314 0.0 . . . . . . 46 GLU HG2 . 7401 2 641 . 1 1 46 46 GLU C C 13 178.498 0.0 . . . . . . 46 GLU C . 7401 2 642 . 1 1 46 46 GLU CA C 13 59.056 0.0 . . . . . . 46 GLU CA . 7401 2 643 . 1 1 46 46 GLU CB C 13 29.100 0.0 . . . . . . 46 GLU CB . 7401 2 644 . 1 1 46 46 GLU CG C 13 35.800 0.0 . . . . . . 46 GLU CG . 7401 2 645 . 1 1 46 46 GLU N N 15 119.461 0.0 . . . . . . 46 GLU N . 7401 2 646 . 1 1 47 47 GLU H H 1 7.805 0.0 . . . . . . 47 GLU H . 7401 2 647 . 1 1 47 47 GLU HA H 1 4.064 0.0 . . . . . . 47 GLU HA . 7401 2 648 . 1 1 47 47 GLU HB2 H 1 1.945 0.0 . . . . . . 47 GLU QB . 7401 2 649 . 1 1 47 47 GLU HB3 H 1 1.945 0.0 . . . . . . 47 GLU QB . 7401 2 650 . 1 1 47 47 GLU HG2 H 1 2.333 0.0 . . . . . . 47 GLU HG1 . 7401 2 651 . 1 1 47 47 GLU HG3 H 1 2.090 0.0 . . . . . . 47 GLU HG2 . 7401 2 652 . 1 1 47 47 GLU C C 13 177.943 0.0 . . . . . . 47 GLU C . 7401 2 653 . 1 1 47 47 GLU CA C 13 58.033 0.0 . . . . . . 47 GLU CA . 7401 2 654 . 1 1 47 47 GLU CB C 13 29.440 0.0 . . . . . . 47 GLU CB . 7401 2 655 . 1 1 47 47 GLU CG C 13 35.988 0.0 . . . . . . 47 GLU CG . 7401 2 656 . 1 1 47 47 GLU N N 15 118.056 0.0 . . . . . . 47 GLU N . 7401 2 657 . 1 1 48 48 PHE H H 1 8.036 0.0 . . . . . . 48 PHE H . 7401 2 658 . 1 1 48 48 PHE HA H 1 4.196 0.0 . . . . . . 48 PHE HA . 7401 2 659 . 1 1 48 48 PHE HB2 H 1 2.885 0.0 . . . . . . 48 PHE HB1 . 7401 2 660 . 1 1 48 48 PHE HB3 H 1 2.620 0.0 . . . . . . 48 PHE HB2 . 7401 2 661 . 1 1 48 48 PHE HD1 H 1 7.026 0.0 . . . . . . 48 PHE HD1 . 7401 2 662 . 1 1 48 48 PHE HD2 H 1 7.026 0.0 . . . . . . 48 PHE HD2 . 7401 2 663 . 1 1 48 48 PHE HE1 H 1 7.209 0.0 . . . . . . 48 PHE HE1 . 7401 2 664 . 1 1 48 48 PHE HE2 H 1 7.209 0.0 . . . . . . 48 PHE HE2 . 7401 2 665 . 1 1 48 48 PHE HZ H 1 7.213 0.0 . . . . . . 48 PHE HZ . 7401 2 666 . 1 1 48 48 PHE C C 13 176.816 0.0 . . . . . . 48 PHE C . 7401 2 667 . 1 1 48 48 PHE CA C 13 59.447 0.0 . . . . . . 48 PHE CA . 7401 2 668 . 1 1 48 48 PHE CB C 13 39.415 0.0 . . . . . . 48 PHE CB . 7401 2 669 . 1 1 48 48 PHE CD1 C 13 131.690 0.0 . . . . . . 48 PHE CD1 . 7401 2 670 . 1 1 48 48 PHE CD2 C 13 131.690 0.0 . . . . . . 48 PHE CD2 . 7401 2 671 . 1 1 48 48 PHE CE1 C 13 131.159 0.0 . . . . . . 48 PHE CE1 . 7401 2 672 . 1 1 48 48 PHE CE2 C 13 131.159 0.0 . . . . . . 48 PHE CE2 . 7401 2 673 . 1 1 48 48 PHE CZ C 13 129.599 0.0 . . . . . . 48 PHE CZ . 7401 2 674 . 1 1 48 48 PHE N N 15 119.645 0.0 . . . . . . 48 PHE N . 7401 2 675 . 1 1 49 49 GLU H H 1 8.018 0.0 . . . . . . 49 GLU H . 7401 2 676 . 1 1 49 49 GLU HA H 1 4.033 0.0 . . . . . . 49 GLU HA . 7401 2 677 . 1 1 49 49 GLU HB2 H 1 1.963 0.0 . . . . . . 49 GLU QB . 7401 2 678 . 1 1 49 49 GLU HB3 H 1 1.963 0.0 . . . . . . 49 GLU QB . 7401 2 679 . 1 1 49 49 GLU HG2 H 1 2.225 0.0 . . . . . . 49 GLU QG . 7401 2 680 . 1 1 49 49 GLU HG3 H 1 2.225 0.0 . . . . . . 49 GLU QG . 7401 2 681 . 1 1 49 49 GLU C C 13 176.626 0.0 . . . . . . 49 GLU C . 7401 2 682 . 1 1 49 49 GLU CA C 13 56.652 0.0 . . . . . . 49 GLU CA . 7401 2 683 . 1 1 49 49 GLU CB C 13 29.668 0.0 . . . . . . 49 GLU CB . 7401 2 684 . 1 1 49 49 GLU CG C 13 35.922 0.0 . . . . . . 49 GLU CG . 7401 2 685 . 1 1 49 49 GLU N N 15 119.113 0.0 . . . . . . 49 GLU N . 7401 2 686 . 1 1 50 50 GLN H H 1 7.836 0.0 . . . . . . 50 GLN H . 7401 2 687 . 1 1 50 50 GLN HA H 1 4.201 0.0 . . . . . . 50 GLN HA . 7401 2 688 . 1 1 50 50 GLN HB2 H 1 2.107 0.0 . . . . . . 50 GLN HB1 . 7401 2 689 . 1 1 50 50 GLN HB3 H 1 1.985 0.0 . . . . . . 50 GLN HB2 . 7401 2 690 . 1 1 50 50 GLN HE21 H 1 7.548 0.0 . . . . . . 50 GLN HE21 . 7401 2 691 . 1 1 50 50 GLN HE22 H 1 6.844 0.0 . . . . . . 50 GLN HE22 . 7401 2 692 . 1 1 50 50 GLN HG2 H 1 2.390 0.0 . . . . . . 50 GLN HG1 . 7401 2 693 . 1 1 50 50 GLN HG3 H 1 2.350 0.0 . . . . . . 50 GLN HG2 . 7401 2 694 . 1 1 50 50 GLN C C 13 175.967 0.0 . . . . . . 50 GLN C . 7401 2 695 . 1 1 50 50 GLN CA C 13 55.960 0.0 . . . . . . 50 GLN CA . 7401 2 696 . 1 1 50 50 GLN CB C 13 28.961 0.0 . . . . . . 50 GLN CB . 7401 2 697 . 1 1 50 50 GLN CG C 13 33.885 0.0 . . . . . . 50 GLN CG . 7401 2 698 . 1 1 50 50 GLN N N 15 118.828 0.0 . . . . . . 50 GLN N . 7401 2 699 . 1 1 50 50 GLN NE2 N 15 112.590 0.0 . . . . . . 50 GLN NE2 . 7401 2 700 . 1 1 51 51 ARG H H 1 7.971 0.0 . . . . . . 51 ARG H . 7401 2 701 . 1 1 51 51 ARG HA H 1 4.261 0.0 . . . . . . 51 ARG HA . 7401 2 702 . 1 1 51 51 ARG HB2 H 1 1.808 0.0 . . . . . . 51 ARG HB1 . 7401 2 703 . 1 1 51 51 ARG HB3 H 1 1.698 0.0 . . . . . . 51 ARG HB2 . 7401 2 704 . 1 1 51 51 ARG HD2 H 1 3.088 0.0 . . . . . . 51 ARG QD . 7401 2 705 . 1 1 51 51 ARG HD3 H 1 3.088 0.0 . . . . . . 51 ARG QD . 7401 2 706 . 1 1 51 51 ARG HE H 1 7.232 0.0 . . . . . . 51 ARG HE . 7401 2 707 . 1 1 51 51 ARG HG2 H 1 1.588 0.0 . . . . . . 51 ARG QG . 7401 2 708 . 1 1 51 51 ARG HG3 H 1 1.588 0.0 . . . . . . 51 ARG QG . 7401 2 709 . 1 1 51 51 ARG C C 13 175.314 0.0 . . . . . . 51 ARG C . 7401 2 710 . 1 1 51 51 ARG CA C 13 56.094 0.0 . . . . . . 51 ARG CA . 7401 2 711 . 1 1 51 51 ARG CB C 13 30.390 0.0 . . . . . . 51 ARG CB . 7401 2 712 . 1 1 51 51 ARG CD C 13 43.332 0.0 . . . . . . 51 ARG CD . 7401 2 713 . 1 1 51 51 ARG CG C 13 27.096 0.0 . . . . . . 51 ARG CG . 7401 2 714 . 1 1 51 51 ARG N N 15 121.744 0.0 . . . . . . 51 ARG N . 7401 2 715 . 1 1 51 51 ARG NE N 15 84.878 0.0 . . . . . . 51 ARG NE . 7401 2 716 . 1 1 52 52 LYS H H 1 7.888 0.0 . . . . . . 52 LYS H . 7401 2 717 . 1 1 52 52 LYS HA H 1 4.070 0.0 . . . . . . 52 LYS HA . 7401 2 718 . 1 1 52 52 LYS HB2 H 1 1.746 0.0 . . . . . . 52 LYS HB1 . 7401 2 719 . 1 1 52 52 LYS HB3 H 1 1.650 0.0 . . . . . . 52 LYS HB2 . 7401 2 720 . 1 1 52 52 LYS HD2 H 1 1.620 0.0 . . . . . . 52 LYS QD . 7401 2 721 . 1 1 52 52 LYS HD3 H 1 1.620 0.0 . . . . . . 52 LYS QD . 7401 2 722 . 1 1 52 52 LYS HE2 H 1 2.929 0.0 . . . . . . 52 LYS QE . 7401 2 723 . 1 1 52 52 LYS HE3 H 1 2.929 0.0 . . . . . . 52 LYS QE . 7401 2 724 . 1 1 52 52 LYS HG2 H 1 1.333 0.0 . . . . . . 52 LYS QG . 7401 2 725 . 1 1 52 52 LYS HG3 H 1 1.333 0.0 . . . . . . 52 LYS QG . 7401 2 726 . 1 1 52 52 LYS C C 13 181.320 0.0 . . . . . . 52 LYS C . 7401 2 727 . 1 1 52 52 LYS CA C 13 57.578 0.0 . . . . . . 52 LYS CA . 7401 2 728 . 1 1 52 52 LYS CB C 13 33.470 0.0 . . . . . . 52 LYS CB . 7401 2 729 . 1 1 52 52 LYS CD C 13 29.110 0.0 . . . . . . 52 LYS CD . 7401 2 730 . 1 1 52 52 LYS CE C 13 42.300 0.0 . . . . . . 52 LYS CE . 7401 2 731 . 1 1 52 52 LYS CG C 13 24.800 0.0 . . . . . . 52 LYS CG . 7401 2 732 . 1 1 52 52 LYS N N 15 127.865 0.0 . . . . . . 52 LYS N . 7401 2 stop_ save_