data_11604 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11604 _Entry.Title ; Solution structure of the chromodomain of HP1alpha with the N-terminal tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-18 _Entry.Accession_date 2015-12-21 _Entry.Last_release_date 2015-12-21 _Entry.Original_release_date 2015-12-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Ayumi Kawaguchi . . . . 11604 2 Yoshifumi Nishimura . . . . 11604 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11604 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chromodomain . 11604 hp1alpha . 11604 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11604 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 11604 '15N chemical shifts' 88 11604 '1H chemical shifts' 563 11604 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-01 2015-12-17 update BMRB 'update entry citation' 11604 1 . . 2021-07-16 2015-12-17 original author 'original release' 11604 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11605 'Solution structure of the chromodomain of HP1alpha with the phosphorylated N-terminal tail' 11604 BMRB 11606 'Solution structure of the chromodomain of HP1a with the phosphorylated N-terminal tail complexed with H3K9me3 peptide' 11604 PDB 2RVL 'BMRB Entry Tracking System' 11604 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11604 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26934956 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Extended string-like binding of the phosphorylated HP1? N-terminal tail to the lysine 9-methylated histone H3 tail ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 22527 _Citation.Page_last 22527 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hideaki Shimojo H. . . . 11604 1 2 Ayumi Kawaguchi A. . . . 11604 1 3 Takashi Oda T. . . . 11604 1 4 Nobuto Hashiguchi N. . . . 11604 1 5 Satoshi Omori S. . . . 11604 1 6 Kei Moritsugu K. . . . 11604 1 7 Akinori Kidera A. . . . 11604 1 8 Kyoko Hiragami-Hamada K. . . . 11604 1 9 Jun-Ichi Nakayama J. . . . 11604 1 10 Mamoru Sato M. . . . 11604 1 11 Yoshifumi Nishimura Y. . . . 11604 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11604 _Assembly.ID 1 _Assembly.Name 'Chromodomain of HP1alpha with the N-terminal tail' _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 entity 1 $entity A . yes native no no . . . 11604 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11604 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGKKTKRTADSSSSEDE EEYVVEKVLDRRMVKGQVEY LLKWKGFSEEHNTWEPEKNL DCPELISEFMKKYKKMKEGE NNK ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9849.207 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 11604 1 2 2 SER . 11604 1 3 3 HIS . 11604 1 4 4 MET . 11604 1 5 5 GLY . 11604 1 6 6 LYS . 11604 1 7 7 LYS . 11604 1 8 8 THR . 11604 1 9 9 LYS . 11604 1 10 10 ARG . 11604 1 11 11 THR . 11604 1 12 12 ALA . 11604 1 13 13 ASP . 11604 1 14 14 SER . 11604 1 15 15 SER . 11604 1 16 16 SER . 11604 1 17 17 SER . 11604 1 18 18 GLU . 11604 1 19 19 ASP . 11604 1 20 20 GLU . 11604 1 21 21 GLU . 11604 1 22 22 GLU . 11604 1 23 23 TYR . 11604 1 24 24 VAL . 11604 1 25 25 VAL . 11604 1 26 26 GLU . 11604 1 27 27 LYS . 11604 1 28 28 VAL . 11604 1 29 29 LEU . 11604 1 30 30 ASP . 11604 1 31 31 ARG . 11604 1 32 32 ARG . 11604 1 33 33 MET . 11604 1 34 34 VAL . 11604 1 35 35 LYS . 11604 1 36 36 GLY . 11604 1 37 37 GLN . 11604 1 38 38 VAL . 11604 1 39 39 GLU . 11604 1 40 40 TYR . 11604 1 41 41 LEU . 11604 1 42 42 LEU . 11604 1 43 43 LYS . 11604 1 44 44 TRP . 11604 1 45 45 LYS . 11604 1 46 46 GLY . 11604 1 47 47 PHE . 11604 1 48 48 SER . 11604 1 49 49 GLU . 11604 1 50 50 GLU . 11604 1 51 51 HIS . 11604 1 52 52 ASN . 11604 1 53 53 THR . 11604 1 54 54 TRP . 11604 1 55 55 GLU . 11604 1 56 56 PRO . 11604 1 57 57 GLU . 11604 1 58 58 LYS . 11604 1 59 59 ASN . 11604 1 60 60 LEU . 11604 1 61 61 ASP . 11604 1 62 62 CYS . 11604 1 63 63 PRO . 11604 1 64 64 GLU . 11604 1 65 65 LEU . 11604 1 66 66 ILE . 11604 1 67 67 SER . 11604 1 68 68 GLU . 11604 1 69 69 PHE . 11604 1 70 70 MET . 11604 1 71 71 LYS . 11604 1 72 72 LYS . 11604 1 73 73 TYR . 11604 1 74 74 LYS . 11604 1 75 75 LYS . 11604 1 76 76 MET . 11604 1 77 77 LYS . 11604 1 78 78 GLU . 11604 1 79 79 GLY . 11604 1 80 80 GLU . 11604 1 81 81 ASN . 11604 1 82 82 ASN . 11604 1 83 83 LYS . 11604 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11604 1 . SER 2 2 11604 1 . HIS 3 3 11604 1 . MET 4 4 11604 1 . GLY 5 5 11604 1 . LYS 6 6 11604 1 . LYS 7 7 11604 1 . THR 8 8 11604 1 . LYS 9 9 11604 1 . ARG 10 10 11604 1 . THR 11 11 11604 1 . ALA 12 12 11604 1 . ASP 13 13 11604 1 . SER 14 14 11604 1 . SER 15 15 11604 1 . SER 16 16 11604 1 . SER 17 17 11604 1 . GLU 18 18 11604 1 . ASP 19 19 11604 1 . GLU 20 20 11604 1 . GLU 21 21 11604 1 . GLU 22 22 11604 1 . TYR 23 23 11604 1 . VAL 24 24 11604 1 . VAL 25 25 11604 1 . GLU 26 26 11604 1 . LYS 27 27 11604 1 . VAL 28 28 11604 1 . LEU 29 29 11604 1 . ASP 30 30 11604 1 . ARG 31 31 11604 1 . ARG 32 32 11604 1 . MET 33 33 11604 1 . VAL 34 34 11604 1 . LYS 35 35 11604 1 . GLY 36 36 11604 1 . GLN 37 37 11604 1 . VAL 38 38 11604 1 . GLU 39 39 11604 1 . TYR 40 40 11604 1 . LEU 41 41 11604 1 . LEU 42 42 11604 1 . LYS 43 43 11604 1 . TRP 44 44 11604 1 . LYS 45 45 11604 1 . GLY 46 46 11604 1 . PHE 47 47 11604 1 . SER 48 48 11604 1 . GLU 49 49 11604 1 . GLU 50 50 11604 1 . HIS 51 51 11604 1 . ASN 52 52 11604 1 . THR 53 53 11604 1 . TRP 54 54 11604 1 . GLU 55 55 11604 1 . PRO 56 56 11604 1 . GLU 57 57 11604 1 . LYS 58 58 11604 1 . ASN 59 59 11604 1 . LEU 60 60 11604 1 . ASP 61 61 11604 1 . CYS 62 62 11604 1 . PRO 63 63 11604 1 . GLU 64 64 11604 1 . LEU 65 65 11604 1 . ILE 66 66 11604 1 . SER 67 67 11604 1 . GLU 68 68 11604 1 . PHE 69 69 11604 1 . MET 70 70 11604 1 . LYS 71 71 11604 1 . LYS 72 72 11604 1 . TYR 73 73 11604 1 . LYS 74 74 11604 1 . LYS 75 75 11604 1 . MET 76 76 11604 1 . LYS 77 77 11604 1 . GLU 78 78 11604 1 . GLY 79 79 11604 1 . GLU 80 80 11604 1 . ASN 81 81 11604 1 . ASN 82 82 11604 1 . LYS 83 83 11604 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 11604 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 11604 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 11604 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pCold . . . 11604 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11604 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HP1alpha '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein . . . mM . . . . 11604 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11604 1 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 11604 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11604 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11604 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11604 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11604 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 HP1alpha '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein . . . mM . . . . 11604 2 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11604 2 3 'sodium chloride' 'natural abundance' . . . . . salt 10 . . mM . . . . 11604 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 11604 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 11604 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11604 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 11604 1 pressure 1 . atm 11604 1 temperature 298 . K 11604 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11604 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11604 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 11604 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11604 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11604 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 11604 2 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 11604 _Software.ID 3 _Software.Type . _Software.Name Olivia _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, M., Sekiguchi, S. and Inagaki, F.' . . 11604 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 11604 3 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 11604 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11604 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11604 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11604 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11604 1 2 spectrometer_2 Bruker Avance . 700 . . . 11604 1 3 spectrometer_3 Bruker Avance . 600 . . . 11604 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 11604 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 11604 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 11604 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11604 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 11604 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11604 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 11604 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 4 '3D HNCO' 1 $sample_1 isotropic 11604 1 6 '3D HNCACB' 1 $sample_1 isotropic 11604 1 9 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11604 1 12 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11604 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 HIS HA H 1 4.641 0.040 . 1 . . . . A 0 HIS HA . 11604 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.064 0.040 . 2 . . . . A 0 HIS HB2 . 11604 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.064 0.040 . 2 . . . . A 0 HIS HB3 . 11604 1 4 . 1 . 1 3 3 HIS HD2 H 1 6.966 0.040 . 1 . . . . A 0 HIS HD2 . 11604 1 5 . 1 . 1 3 3 HIS C C 13 174.590 0.450 . 1 . . . . A 0 HIS C . 11604 1 6 . 1 . 1 3 3 HIS CA C 13 55.701 0.450 . 1 . . . . A 0 HIS CA . 11604 1 7 . 1 . 1 3 3 HIS CB C 13 29.750 0.450 . 1 . . . . A 0 HIS CB . 11604 1 8 . 1 . 1 3 3 HIS CD2 C 13 120.372 0.450 . 1 . . . . A 0 HIS CD2 . 11604 1 9 . 1 . 1 4 4 MET H H 1 8.310 0.040 . 1 . . . . A 1 MET H . 11604 1 10 . 1 . 1 4 4 MET HA H 1 4.642 0.040 . 1 . . . . A 1 MET HA . 11604 1 11 . 1 . 1 4 4 MET HB2 H 1 1.972 0.040 . 2 . . . . A 1 MET HB2 . 11604 1 12 . 1 . 1 4 4 MET HB3 H 1 1.896 0.040 . 2 . . . . A 1 MET HB3 . 11604 1 13 . 1 . 1 4 4 MET HG2 H 1 2.460 0.040 . 2 . . . . A 1 MET HG2 . 11604 1 14 . 1 . 1 4 4 MET HG3 H 1 2.351 0.040 . 2 . . . . A 1 MET HG3 . 11604 1 15 . 1 . 1 4 4 MET HE1 H 1 2.031 0.040 . 1 . . . . A 1 MET HE1 . 11604 1 16 . 1 . 1 4 4 MET HE2 H 1 2.031 0.040 . 1 . . . . A 1 MET HE2 . 11604 1 17 . 1 . 1 4 4 MET HE3 H 1 2.031 0.040 . 1 . . . . A 1 MET HE3 . 11604 1 18 . 1 . 1 4 4 MET C C 13 176.413 0.450 . 1 . . . . A 1 MET C . 11604 1 19 . 1 . 1 4 4 MET CA C 13 55.079 0.450 . 1 . . . . A 1 MET CA . 11604 1 20 . 1 . 1 4 4 MET CB C 13 33.096 0.450 . 1 . . . . A 1 MET CB . 11604 1 21 . 1 . 1 4 4 MET CG C 13 31.845 0.450 . 1 . . . . A 1 MET CG . 11604 1 22 . 1 . 1 4 4 MET CE C 13 15.727 0.450 . 1 . . . . A 1 MET CE . 11604 1 23 . 1 . 1 4 4 MET N N 15 121.275 0.450 . 1 . . . . A 1 MET N . 11604 1 24 . 1 . 1 5 5 GLY H H 1 8.576 0.040 . 1 . . . . A 2 GLY H . 11604 1 25 . 1 . 1 5 5 GLY HA2 H 1 4.100 0.040 . 2 . . . . A 2 GLY HA2 . 11604 1 26 . 1 . 1 5 5 GLY HA3 H 1 3.865 0.040 . 2 . . . . A 2 GLY HA3 . 11604 1 27 . 1 . 1 5 5 GLY C C 13 173.296 0.450 . 1 . . . . A 2 GLY C . 11604 1 28 . 1 . 1 5 5 GLY CA C 13 45.117 0.450 . 1 . . . . A 2 GLY CA . 11604 1 29 . 1 . 1 5 5 GLY N N 15 109.687 0.450 . 1 . . . . A 2 GLY N . 11604 1 30 . 1 . 1 6 6 LYS H H 1 8.212 0.040 . 1 . . . . A 3 LYS H . 11604 1 31 . 1 . 1 6 6 LYS HA H 1 4.355 0.040 . 1 . . . . A 3 LYS HA . 11604 1 32 . 1 . 1 6 6 LYS HB2 H 1 1.740 0.040 . 2 . . . . A 3 LYS HB2 . 11604 1 33 . 1 . 1 6 6 LYS HB3 H 1 1.649 0.040 . 2 . . . . A 3 LYS HB3 . 11604 1 34 . 1 . 1 6 6 LYS HG2 H 1 1.343 0.040 . 2 . . . . A 3 LYS HG2 . 11604 1 35 . 1 . 1 6 6 LYS HG3 H 1 1.343 0.040 . 2 . . . . A 3 LYS HG3 . 11604 1 36 . 1 . 1 6 6 LYS HD2 H 1 1.525 0.040 . 2 . . . . A 3 LYS HD2 . 11604 1 37 . 1 . 1 6 6 LYS HD3 H 1 1.482 0.040 . 2 . . . . A 3 LYS HD3 . 11604 1 38 . 1 . 1 6 6 LYS HE2 H 1 2.905 0.040 . 2 . . . . A 3 LYS HE2 . 11604 1 39 . 1 . 1 6 6 LYS HE3 H 1 2.905 0.040 . 2 . . . . A 3 LYS HE3 . 11604 1 40 . 1 . 1 6 6 LYS C C 13 176.093 0.450 . 1 . . . . A 3 LYS C . 11604 1 41 . 1 . 1 6 6 LYS CA C 13 56.007 0.450 . 1 . . . . A 3 LYS CA . 11604 1 42 . 1 . 1 6 6 LYS CB C 13 33.196 0.450 . 1 . . . . A 3 LYS CB . 11604 1 43 . 1 . 1 6 6 LYS CD C 13 27.098 0.450 . 1 . . . . A 3 LYS CD . 11604 1 44 . 1 . 1 6 6 LYS CE C 13 43.057 0.450 . 1 . . . . A 3 LYS CE . 11604 1 45 . 1 . 1 6 6 LYS N N 15 120.851 0.450 . 1 . . . . A 3 LYS N . 11604 1 46 . 1 . 1 7 7 LYS H H 1 8.365 0.040 . 1 . . . . A 4 LYS H . 11604 1 47 . 1 . 1 7 7 LYS HA H 1 4.371 0.040 . 1 . . . . A 4 LYS HA . 11604 1 48 . 1 . 1 7 7 LYS HB2 H 1 1.608 0.040 . 2 . . . . A 4 LYS HB2 . 11604 1 49 . 1 . 1 7 7 LYS HB3 H 1 1.361 0.040 . 2 . . . . A 4 LYS HB3 . 11604 1 50 . 1 . 1 7 7 LYS C C 13 176.701 0.450 . 1 . . . . A 4 LYS C . 11604 1 51 . 1 . 1 7 7 LYS CA C 13 55.974 0.450 . 1 . . . . A 4 LYS CA . 11604 1 52 . 1 . 1 7 7 LYS CB C 13 33.369 0.450 . 1 . . . . A 4 LYS CB . 11604 1 53 . 1 . 1 7 7 LYS N N 15 122.882 0.450 . 1 . . . . A 4 LYS N . 11604 1 54 . 1 . 1 8 8 THR H H 1 8.565 0.040 . 1 . . . . A 5 THR H . 11604 1 55 . 1 . 1 8 8 THR HA H 1 4.292 0.040 . 1 . . . . A 5 THR HA . 11604 1 56 . 1 . 1 8 8 THR HB H 1 4.144 0.040 . 1 . . . . A 5 THR HB . 11604 1 57 . 1 . 1 8 8 THR HG21 H 1 1.162 0.040 . 1 . . . . A 5 THR HG21 . 11604 1 58 . 1 . 1 8 8 THR HG22 H 1 1.162 0.040 . 1 . . . . A 5 THR HG22 . 11604 1 59 . 1 . 1 8 8 THR HG23 H 1 1.162 0.040 . 1 . . . . A 5 THR HG23 . 11604 1 60 . 1 . 1 8 8 THR C C 13 174.228 0.450 . 1 . . . . A 5 THR C . 11604 1 61 . 1 . 1 8 8 THR CA C 13 62.246 0.450 . 1 . . . . A 5 THR CA . 11604 1 62 . 1 . 1 8 8 THR CB C 13 69.740 0.450 . 1 . . . . A 5 THR CB . 11604 1 63 . 1 . 1 8 8 THR CG2 C 13 21.631 0.450 . 1 . . . . A 5 THR CG2 . 11604 1 64 . 1 . 1 8 8 THR N N 15 118.132 0.450 . 1 . . . . A 5 THR N . 11604 1 65 . 1 . 1 9 9 LYS H H 1 8.459 0.040 . 1 . . . . A 6 LYS H . 11604 1 66 . 1 . 1 9 9 LYS HA H 1 4.320 0.040 . 1 . . . . A 6 LYS HA . 11604 1 67 . 1 . 1 9 9 LYS HB2 H 1 1.721 0.040 . 2 . . . . A 6 LYS HB2 . 11604 1 68 . 1 . 1 9 9 LYS HB3 H 1 1.721 0.040 . 2 . . . . A 6 LYS HB3 . 11604 1 69 . 1 . 1 9 9 LYS C C 13 176.047 0.450 . 1 . . . . A 6 LYS C . 11604 1 70 . 1 . 1 9 9 LYS CA C 13 56.107 0.450 . 1 . . . . A 6 LYS CA . 11604 1 71 . 1 . 1 9 9 LYS CB C 13 33.200 0.450 . 1 . . . . A 6 LYS CB . 11604 1 72 . 1 . 1 9 9 LYS N N 15 124.873 0.450 . 1 . . . . A 6 LYS N . 11604 1 73 . 1 . 1 10 10 ARG H H 1 8.471 0.040 . 1 . . . . A 7 ARG H . 11604 1 74 . 1 . 1 10 10 ARG HA H 1 4.360 0.040 . 1 . . . . A 7 ARG HA . 11604 1 75 . 1 . 1 10 10 ARG HB2 H 1 1.720 0.040 . 2 . . . . A 7 ARG HB2 . 11604 1 76 . 1 . 1 10 10 ARG HB3 H 1 1.558 0.040 . 2 . . . . A 7 ARG HB3 . 11604 1 77 . 1 . 1 10 10 ARG HG2 H 1 1.521 0.040 . 2 . . . . A 7 ARG HG2 . 11604 1 78 . 1 . 1 10 10 ARG HG3 H 1 1.481 0.040 . 2 . . . . A 7 ARG HG3 . 11604 1 79 . 1 . 1 10 10 ARG HD2 H 1 2.891 0.040 . 2 . . . . A 7 ARG HD2 . 11604 1 80 . 1 . 1 10 10 ARG HD3 H 1 2.891 0.040 . 2 . . . . A 7 ARG HD3 . 11604 1 81 . 1 . 1 10 10 ARG HE H 1 7.071 0.040 . 1 . . . . A 7 ARG HE . 11604 1 82 . 1 . 1 10 10 ARG C C 13 176.550 0.450 . 1 . . . . A 7 ARG C . 11604 1 83 . 1 . 1 10 10 ARG CA C 13 55.997 0.450 . 1 . . . . A 7 ARG CA . 11604 1 84 . 1 . 1 10 10 ARG CB C 13 30.842 0.450 . 1 . . . . A 7 ARG CB . 11604 1 85 . 1 . 1 10 10 ARG CG C 13 27.081 0.450 . 1 . . . . A 7 ARG CG . 11604 1 86 . 1 . 1 10 10 ARG CD C 13 43.057 0.450 . 1 . . . . A 7 ARG CD . 11604 1 87 . 1 . 1 10 10 ARG CZ C 13 159.309 0.450 . 1 . . . . A 7 ARG CZ . 11604 1 88 . 1 . 1 10 10 ARG N N 15 123.397 0.450 . 1 . . . . A 7 ARG N . 11604 1 89 . 1 . 1 10 10 ARG NE N 15 84.584 0.450 . 1 . . . . A 7 ARG NE . 11604 1 90 . 1 . 1 11 11 THR H H 1 8.475 0.040 . 1 . . . . A 8 THR H . 11604 1 91 . 1 . 1 11 11 THR HA H 1 4.293 0.040 . 1 . . . . A 8 THR HA . 11604 1 92 . 1 . 1 11 11 THR HB H 1 4.247 0.040 . 1 . . . . A 8 THR HB . 11604 1 93 . 1 . 1 11 11 THR HG21 H 1 1.164 0.040 . 1 . . . . A 8 THR HG21 . 11604 1 94 . 1 . 1 11 11 THR HG22 H 1 1.164 0.040 . 1 . . . . A 8 THR HG22 . 11604 1 95 . 1 . 1 11 11 THR HG23 H 1 1.164 0.040 . 1 . . . . A 8 THR HG23 . 11604 1 96 . 1 . 1 11 11 THR C C 13 174.498 0.450 . 1 . . . . A 8 THR C . 11604 1 97 . 1 . 1 11 11 THR CA C 13 61.798 0.450 . 1 . . . . A 8 THR CA . 11604 1 98 . 1 . 1 11 11 THR CB C 13 69.713 0.450 . 1 . . . . A 8 THR CB . 11604 1 99 . 1 . 1 11 11 THR CG2 C 13 21.679 0.450 . 1 . . . . A 8 THR CG2 . 11604 1 100 . 1 . 1 11 11 THR N N 15 116.278 0.450 . 1 . . . . A 8 THR N . 11604 1 101 . 1 . 1 12 12 ALA H H 1 8.392 0.040 . 1 . . . . A 9 ALA H . 11604 1 102 . 1 . 1 12 12 ALA HA H 1 4.263 0.040 . 1 . . . . A 9 ALA HA . 11604 1 103 . 1 . 1 12 12 ALA HB1 H 1 1.357 0.040 . 1 . . . . A 9 ALA HB1 . 11604 1 104 . 1 . 1 12 12 ALA HB2 H 1 1.357 0.040 . 1 . . . . A 9 ALA HB2 . 11604 1 105 . 1 . 1 12 12 ALA HB3 H 1 1.357 0.040 . 1 . . . . A 9 ALA HB3 . 11604 1 106 . 1 . 1 12 12 ALA C C 13 177.415 0.450 . 1 . . . . A 9 ALA C . 11604 1 107 . 1 . 1 12 12 ALA CA C 13 52.750 0.450 . 1 . . . . A 9 ALA CA . 11604 1 108 . 1 . 1 12 12 ALA CB C 13 19.086 0.450 . 1 . . . . A 9 ALA CB . 11604 1 109 . 1 . 1 12 12 ALA N N 15 125.299 0.450 . 1 . . . . A 9 ALA N . 11604 1 110 . 1 . 1 13 13 ASP H H 1 8.174 0.040 . 1 . . . . A 10 ASP H . 11604 1 111 . 1 . 1 13 13 ASP HA H 1 4.567 0.040 . 1 . . . . A 10 ASP HA . 11604 1 112 . 1 . 1 13 13 ASP HB2 H 1 2.675 0.040 . 2 . . . . A 10 ASP HB2 . 11604 1 113 . 1 . 1 13 13 ASP HB3 H 1 2.554 0.040 . 2 . . . . A 10 ASP HB3 . 11604 1 114 . 1 . 1 13 13 ASP C C 13 176.294 0.450 . 1 . . . . A 10 ASP C . 11604 1 115 . 1 . 1 13 13 ASP CA C 13 54.264 0.450 . 1 . . . . A 10 ASP CA . 11604 1 116 . 1 . 1 13 13 ASP CB C 13 41.088 0.450 . 1 . . . . A 10 ASP CB . 11604 1 117 . 1 . 1 13 13 ASP N N 15 118.251 0.450 . 1 . . . . A 10 ASP N . 11604 1 118 . 1 . 1 14 14 SER H H 1 8.108 0.040 . 1 . . . . A 11 SER H . 11604 1 119 . 1 . 1 14 14 SER HA H 1 4.421 0.040 . 1 . . . . A 11 SER HA . 11604 1 120 . 1 . 1 14 14 SER HB2 H 1 3.903 0.040 . 2 . . . . A 11 SER HB2 . 11604 1 121 . 1 . 1 14 14 SER HB3 H 1 3.903 0.040 . 2 . . . . A 11 SER HB3 . 11604 1 122 . 1 . 1 14 14 SER C C 13 174.692 0.450 . 1 . . . . A 11 SER C . 11604 1 123 . 1 . 1 14 14 SER CA C 13 58.530 0.450 . 1 . . . . A 11 SER CA . 11604 1 124 . 1 . 1 14 14 SER CB C 13 63.734 0.450 . 1 . . . . A 11 SER CB . 11604 1 125 . 1 . 1 14 14 SER N N 15 115.620 0.450 . 1 . . . . A 11 SER N . 11604 1 126 . 1 . 1 15 15 SER H H 1 8.437 0.040 . 1 . . . . A 12 SER H . 11604 1 127 . 1 . 1 15 15 SER HA H 1 4.468 0.040 . 1 . . . . A 12 SER HA . 11604 1 128 . 1 . 1 15 15 SER HB2 H 1 3.867 0.040 . 2 . . . . A 12 SER HB2 . 11604 1 129 . 1 . 1 15 15 SER HB3 H 1 3.867 0.040 . 2 . . . . A 12 SER HB3 . 11604 1 130 . 1 . 1 15 15 SER C C 13 174.558 0.450 . 1 . . . . A 12 SER C . 11604 1 131 . 1 . 1 15 15 SER CA C 13 58.672 0.450 . 1 . . . . A 12 SER CA . 11604 1 132 . 1 . 1 15 15 SER CB C 13 63.874 0.450 . 1 . . . . A 12 SER CB . 11604 1 133 . 1 . 1 15 15 SER N N 15 117.792 0.450 . 1 . . . . A 12 SER N . 11604 1 134 . 1 . 1 16 16 SER H H 1 8.269 0.040 . 1 . . . . A 13 SER H . 11604 1 135 . 1 . 1 16 16 SER HA H 1 4.502 0.040 . 1 . . . . A 13 SER HA . 11604 1 136 . 1 . 1 16 16 SER HB2 H 1 3.848 0.040 . 2 . . . . A 13 SER HB2 . 11604 1 137 . 1 . 1 16 16 SER HB3 H 1 3.848 0.040 . 2 . . . . A 13 SER HB3 . 11604 1 138 . 1 . 1 16 16 SER C C 13 174.558 0.450 . 1 . . . . A 13 SER C . 11604 1 139 . 1 . 1 16 16 SER CA C 13 58.277 0.450 . 1 . . . . A 13 SER CA . 11604 1 140 . 1 . 1 16 16 SER CB C 13 63.969 0.450 . 1 . . . . A 13 SER CB . 11604 1 141 . 1 . 1 16 16 SER N N 15 117.506 0.450 . 1 . . . . A 13 SER N . 11604 1 142 . 1 . 1 17 17 SER H H 1 8.375 0.040 . 1 . . . . A 14 SER H . 11604 1 143 . 1 . 1 17 17 SER HA H 1 4.439 0.040 . 1 . . . . A 14 SER HA . 11604 1 144 . 1 . 1 17 17 SER HB2 H 1 3.837 0.040 . 2 . . . . A 14 SER HB2 . 11604 1 145 . 1 . 1 17 17 SER HB3 H 1 3.837 0.040 . 2 . . . . A 14 SER HB3 . 11604 1 146 . 1 . 1 17 17 SER C C 13 174.582 0.450 . 1 . . . . A 14 SER C . 11604 1 147 . 1 . 1 17 17 SER CA C 13 58.590 0.450 . 1 . . . . A 14 SER CA . 11604 1 148 . 1 . 1 17 17 SER CB C 13 63.858 0.450 . 1 . . . . A 14 SER CB . 11604 1 149 . 1 . 1 17 17 SER N N 15 117.890 0.450 . 1 . . . . A 14 SER N . 11604 1 150 . 1 . 1 18 18 GLU H H 1 8.420 0.040 . 1 . . . . A 15 GLU H . 11604 1 151 . 1 . 1 18 18 GLU HA H 1 4.245 0.040 . 1 . . . . A 15 GLU HA . 11604 1 152 . 1 . 1 18 18 GLU HB2 H 1 2.035 0.040 . 2 . . . . A 15 GLU HB2 . 11604 1 153 . 1 . 1 18 18 GLU HB3 H 1 1.903 0.040 . 2 . . . . A 15 GLU HB3 . 11604 1 154 . 1 . 1 18 18 GLU HG2 H 1 2.214 0.040 . 2 . . . . A 15 GLU HG2 . 11604 1 155 . 1 . 1 18 18 GLU HG3 H 1 2.214 0.040 . 2 . . . . A 15 GLU HG3 . 11604 1 156 . 1 . 1 18 18 GLU C C 13 176.124 0.450 . 1 . . . . A 15 GLU C . 11604 1 157 . 1 . 1 18 18 GLU CA C 13 56.548 0.450 . 1 . . . . A 15 GLU CA . 11604 1 158 . 1 . 1 18 18 GLU CB C 13 30.208 0.450 . 1 . . . . A 15 GLU CB . 11604 1 159 . 1 . 1 18 18 GLU CG C 13 36.387 0.450 . 1 . . . . A 15 GLU CG . 11604 1 160 . 1 . 1 18 18 GLU N N 15 122.199 0.450 . 1 . . . . A 15 GLU N . 11604 1 161 . 1 . 1 19 19 ASP H H 1 8.232 0.040 . 1 . . . . A 16 ASP H . 11604 1 162 . 1 . 1 19 19 ASP HA H 1 4.552 0.040 . 1 . . . . A 16 ASP HA . 11604 1 163 . 1 . 1 19 19 ASP HB2 H 1 2.602 0.040 . 2 . . . . A 16 ASP HB2 . 11604 1 164 . 1 . 1 19 19 ASP HB3 H 1 2.602 0.040 . 2 . . . . A 16 ASP HB3 . 11604 1 165 . 1 . 1 19 19 ASP C C 13 176.096 0.450 . 1 . . . . A 16 ASP C . 11604 1 166 . 1 . 1 19 19 ASP CA C 13 54.460 0.450 . 1 . . . . A 16 ASP CA . 11604 1 167 . 1 . 1 19 19 ASP CB C 13 41.228 0.450 . 1 . . . . A 16 ASP CB . 11604 1 168 . 1 . 1 19 19 ASP N N 15 120.744 0.450 . 1 . . . . A 16 ASP N . 11604 1 169 . 1 . 1 20 20 GLU H H 1 8.227 0.040 . 1 . . . . A 17 GLU H . 11604 1 170 . 1 . 1 20 20 GLU HA H 1 4.233 0.040 . 1 . . . . A 17 GLU HA . 11604 1 171 . 1 . 1 20 20 GLU HB2 H 1 1.967 0.040 . 2 . . . . A 17 GLU HB2 . 11604 1 172 . 1 . 1 20 20 GLU HB3 H 1 1.777 0.040 . 2 . . . . A 17 GLU HB3 . 11604 1 173 . 1 . 1 20 20 GLU HG2 H 1 2.232 0.040 . 2 . . . . A 17 GLU HG2 . 11604 1 174 . 1 . 1 20 20 GLU HG3 H 1 2.232 0.040 . 2 . . . . A 17 GLU HG3 . 11604 1 175 . 1 . 1 20 20 GLU C C 13 176.184 0.450 . 1 . . . . A 17 GLU C . 11604 1 176 . 1 . 1 20 20 GLU CA C 13 56.361 0.450 . 1 . . . . A 17 GLU CA . 11604 1 177 . 1 . 1 20 20 GLU CB C 13 30.490 0.450 . 1 . . . . A 17 GLU CB . 11604 1 178 . 1 . 1 20 20 GLU CG C 13 36.169 0.450 . 1 . . . . A 17 GLU CG . 11604 1 179 . 1 . 1 20 20 GLU N N 15 120.868 0.450 . 1 . . . . A 17 GLU N . 11604 1 180 . 1 . 1 21 21 GLU H H 1 8.269 0.040 . 1 . . . . A 18 GLU H . 11604 1 181 . 1 . 1 21 21 GLU HA H 1 4.177 0.040 . 1 . . . . A 18 GLU HA . 11604 1 182 . 1 . 1 21 21 GLU HB2 H 1 1.821 0.040 . 2 . . . . A 18 GLU HB2 . 11604 1 183 . 1 . 1 21 21 GLU HB3 H 1 1.821 0.040 . 2 . . . . A 18 GLU HB3 . 11604 1 184 . 1 . 1 21 21 GLU HG2 H 1 2.140 0.040 . 2 . . . . A 18 GLU HG2 . 11604 1 185 . 1 . 1 21 21 GLU HG3 H 1 2.140 0.040 . 2 . . . . A 18 GLU HG3 . 11604 1 186 . 1 . 1 21 21 GLU C C 13 175.307 0.450 . 1 . . . . A 18 GLU C . 11604 1 187 . 1 . 1 21 21 GLU CA C 13 56.084 0.450 . 1 . . . . A 18 GLU CA . 11604 1 188 . 1 . 1 21 21 GLU CB C 13 30.882 0.450 . 1 . . . . A 18 GLU CB . 11604 1 189 . 1 . 1 21 21 GLU CG C 13 36.239 0.450 . 1 . . . . A 18 GLU CG . 11604 1 190 . 1 . 1 21 21 GLU N N 15 121.754 0.450 . 1 . . . . A 18 GLU N . 11604 1 191 . 1 . 1 22 22 GLU H H 1 8.200 0.040 . 1 . . . . A 19 GLU H . 11604 1 192 . 1 . 1 22 22 GLU HA H 1 4.290 0.040 . 1 . . . . A 19 GLU HA . 11604 1 193 . 1 . 1 22 22 GLU HB2 H 1 1.841 0.040 . 2 . . . . A 19 GLU HB2 . 11604 1 194 . 1 . 1 22 22 GLU HB3 H 1 1.778 0.040 . 2 . . . . A 19 GLU HB3 . 11604 1 195 . 1 . 1 22 22 GLU HG2 H 1 2.011 0.040 . 2 . . . . A 19 GLU HG2 . 11604 1 196 . 1 . 1 22 22 GLU HG3 H 1 2.011 0.040 . 2 . . . . A 19 GLU HG3 . 11604 1 197 . 1 . 1 22 22 GLU C C 13 175.674 0.450 . 1 . . . . A 19 GLU C . 11604 1 198 . 1 . 1 22 22 GLU CA C 13 56.487 0.450 . 1 . . . . A 19 GLU CA . 11604 1 199 . 1 . 1 22 22 GLU CB C 13 31.070 0.450 . 1 . . . . A 19 GLU CB . 11604 1 200 . 1 . 1 22 22 GLU CG C 13 36.254 0.450 . 1 . . . . A 19 GLU CG . 11604 1 201 . 1 . 1 22 22 GLU N N 15 121.553 0.450 . 1 . . . . A 19 GLU N . 11604 1 202 . 1 . 1 23 23 TYR H H 1 8.502 0.040 . 1 . . . . A 20 TYR H . 11604 1 203 . 1 . 1 23 23 TYR HA H 1 4.545 0.040 . 1 . . . . A 20 TYR HA . 11604 1 204 . 1 . 1 23 23 TYR HB2 H 1 2.460 0.040 . 2 . . . . A 20 TYR HB2 . 11604 1 205 . 1 . 1 23 23 TYR HB3 H 1 2.309 0.040 . 2 . . . . A 20 TYR HB3 . 11604 1 206 . 1 . 1 23 23 TYR HD1 H 1 6.379 0.040 . 1 . . . . A 20 TYR HD1 . 11604 1 207 . 1 . 1 23 23 TYR HD2 H 1 6.379 0.040 . 1 . . . . A 20 TYR HD2 . 11604 1 208 . 1 . 1 23 23 TYR HE1 H 1 6.128 0.040 . 1 . . . . A 20 TYR HE1 . 11604 1 209 . 1 . 1 23 23 TYR HE2 H 1 6.128 0.040 . 1 . . . . A 20 TYR HE2 . 11604 1 210 . 1 . 1 23 23 TYR C C 13 174.682 0.450 . 1 . . . . A 20 TYR C . 11604 1 211 . 1 . 1 23 23 TYR CA C 13 57.702 0.450 . 1 . . . . A 20 TYR CA . 11604 1 212 . 1 . 1 23 23 TYR CB C 13 39.458 0.450 . 1 . . . . A 20 TYR CB . 11604 1 213 . 1 . 1 23 23 TYR CD1 C 13 132.910 0.450 . 1 . . . . A 20 TYR CD1 . 11604 1 214 . 1 . 1 23 23 TYR CD2 C 13 132.910 0.450 . 1 . . . . A 20 TYR CD2 . 11604 1 215 . 1 . 1 23 23 TYR CE1 C 13 118.308 0.450 . 1 . . . . A 20 TYR CE1 . 11604 1 216 . 1 . 1 23 23 TYR CE2 C 13 118.308 0.450 . 1 . . . . A 20 TYR CE2 . 11604 1 217 . 1 . 1 23 23 TYR N N 15 123.144 0.450 . 1 . . . . A 20 TYR N . 11604 1 218 . 1 . 1 24 24 VAL H H 1 9.336 0.040 . 1 . . . . A 21 VAL H . 11604 1 219 . 1 . 1 24 24 VAL HA H 1 4.504 0.040 . 1 . . . . A 21 VAL HA . 11604 1 220 . 1 . 1 24 24 VAL HB H 1 2.035 0.040 . 1 . . . . A 21 VAL HB . 11604 1 221 . 1 . 1 24 24 VAL HG11 H 1 0.965 0.040 . 2 . . . . A 21 VAL HG11 . 11604 1 222 . 1 . 1 24 24 VAL HG12 H 1 0.965 0.040 . 2 . . . . A 21 VAL HG12 . 11604 1 223 . 1 . 1 24 24 VAL HG13 H 1 0.965 0.040 . 2 . . . . A 21 VAL HG13 . 11604 1 224 . 1 . 1 24 24 VAL HG21 H 1 0.965 0.040 . 2 . . . . A 21 VAL HG21 . 11604 1 225 . 1 . 1 24 24 VAL HG22 H 1 0.965 0.040 . 2 . . . . A 21 VAL HG22 . 11604 1 226 . 1 . 1 24 24 VAL HG23 H 1 0.965 0.040 . 2 . . . . A 21 VAL HG23 . 11604 1 227 . 1 . 1 24 24 VAL C C 13 175.739 0.450 . 1 . . . . A 21 VAL C . 11604 1 228 . 1 . 1 24 24 VAL CA C 13 61.503 0.450 . 1 . . . . A 21 VAL CA . 11604 1 229 . 1 . 1 24 24 VAL CB C 13 34.486 0.450 . 1 . . . . A 21 VAL CB . 11604 1 230 . 1 . 1 24 24 VAL CG1 C 13 21.203 0.450 . 1 . . . . A 21 VAL CG1 . 11604 1 231 . 1 . 1 24 24 VAL CG2 C 13 21.203 0.450 . 1 . . . . A 21 VAL CG2 . 11604 1 232 . 1 . 1 24 24 VAL N N 15 124.969 0.450 . 1 . . . . A 21 VAL N . 11604 1 233 . 1 . 1 25 25 VAL H H 1 8.883 0.040 . 1 . . . . A 22 VAL H . 11604 1 234 . 1 . 1 25 25 VAL HA H 1 3.400 0.040 . 1 . . . . A 22 VAL HA . 11604 1 235 . 1 . 1 25 25 VAL HB H 1 1.743 0.040 . 1 . . . . A 22 VAL HB . 11604 1 236 . 1 . 1 25 25 VAL HG11 H 1 0.689 0.040 . 2 . . . . A 22 VAL HG11 . 11604 1 237 . 1 . 1 25 25 VAL HG12 H 1 0.689 0.040 . 2 . . . . A 22 VAL HG12 . 11604 1 238 . 1 . 1 25 25 VAL HG13 H 1 0.689 0.040 . 2 . . . . A 22 VAL HG13 . 11604 1 239 . 1 . 1 25 25 VAL HG21 H 1 0.496 0.040 . 2 . . . . A 22 VAL HG21 . 11604 1 240 . 1 . 1 25 25 VAL HG22 H 1 0.496 0.040 . 2 . . . . A 22 VAL HG22 . 11604 1 241 . 1 . 1 25 25 VAL HG23 H 1 0.496 0.040 . 2 . . . . A 22 VAL HG23 . 11604 1 242 . 1 . 1 25 25 VAL C C 13 174.686 0.450 . 1 . . . . A 22 VAL C . 11604 1 243 . 1 . 1 25 25 VAL CA C 13 64.355 0.450 . 1 . . . . A 22 VAL CA . 11604 1 244 . 1 . 1 25 25 VAL CB C 13 32.484 0.450 . 1 . . . . A 22 VAL CB . 11604 1 245 . 1 . 1 25 25 VAL CG1 C 13 23.125 0.450 . 1 . . . . A 22 VAL CG1 . 11604 1 246 . 1 . 1 25 25 VAL CG2 C 13 22.512 0.450 . 1 . . . . A 22 VAL CG2 . 11604 1 247 . 1 . 1 25 25 VAL N N 15 129.353 0.450 . 1 . . . . A 22 VAL N . 11604 1 248 . 1 . 1 26 26 GLU H H 1 9.290 0.040 . 1 . . . . A 23 GLU H . 11604 1 249 . 1 . 1 26 26 GLU HA H 1 4.288 0.040 . 1 . . . . A 23 GLU HA . 11604 1 250 . 1 . 1 26 26 GLU HB2 H 1 1.671 0.040 . 2 . . . . A 23 GLU HB2 . 11604 1 251 . 1 . 1 26 26 GLU HB3 H 1 1.671 0.040 . 2 . . . . A 23 GLU HB3 . 11604 1 252 . 1 . 1 26 26 GLU HG2 H 1 2.000 0.040 . 2 . . . . A 23 GLU HG2 . 11604 1 253 . 1 . 1 26 26 GLU HG3 H 1 2.000 0.040 . 2 . . . . A 23 GLU HG3 . 11604 1 254 . 1 . 1 26 26 GLU C C 13 175.698 0.450 . 1 . . . . A 23 GLU C . 11604 1 255 . 1 . 1 26 26 GLU CA C 13 57.125 0.450 . 1 . . . . A 23 GLU CA . 11604 1 256 . 1 . 1 26 26 GLU CB C 13 32.467 0.450 . 1 . . . . A 23 GLU CB . 11604 1 257 . 1 . 1 26 26 GLU CG C 13 36.355 0.450 . 1 . . . . A 23 GLU CG . 11604 1 258 . 1 . 1 26 26 GLU N N 15 127.089 0.450 . 1 . . . . A 23 GLU N . 11604 1 259 . 1 . 1 27 27 LYS H H 1 7.542 0.040 . 1 . . . . A 24 LYS H . 11604 1 260 . 1 . 1 27 27 LYS HA H 1 4.335 0.040 . 1 . . . . A 24 LYS HA . 11604 1 261 . 1 . 1 27 27 LYS HB2 H 1 1.596 0.040 . 2 . . . . A 24 LYS HB2 . 11604 1 262 . 1 . 1 27 27 LYS HB3 H 1 1.512 0.040 . 2 . . . . A 24 LYS HB3 . 11604 1 263 . 1 . 1 27 27 LYS HG2 H 1 1.255 0.040 . 2 . . . . A 24 LYS HG2 . 11604 1 264 . 1 . 1 27 27 LYS HG3 H 1 1.255 0.040 . 2 . . . . A 24 LYS HG3 . 11604 1 265 . 1 . 1 27 27 LYS HD2 H 1 1.595 0.040 . 2 . . . . A 24 LYS HD2 . 11604 1 266 . 1 . 1 27 27 LYS HD3 H 1 1.595 0.040 . 2 . . . . A 24 LYS HD3 . 11604 1 267 . 1 . 1 27 27 LYS HE2 H 1 2.906 0.040 . 2 . . . . A 24 LYS HE2 . 11604 1 268 . 1 . 1 27 27 LYS HE3 H 1 2.906 0.040 . 2 . . . . A 24 LYS HE3 . 11604 1 269 . 1 . 1 27 27 LYS C C 13 172.631 0.450 . 1 . . . . A 24 LYS C . 11604 1 270 . 1 . 1 27 27 LYS CA C 13 55.725 0.450 . 1 . . . . A 24 LYS CA . 11604 1 271 . 1 . 1 27 27 LYS CB C 13 37.088 0.450 . 1 . . . . A 24 LYS CB . 11604 1 272 . 1 . 1 27 27 LYS CG C 13 24.403 0.450 . 1 . . . . A 24 LYS CG . 11604 1 273 . 1 . 1 27 27 LYS CD C 13 29.082 0.450 . 1 . . . . A 24 LYS CD . 11604 1 274 . 1 . 1 27 27 LYS CE C 13 41.748 0.450 . 1 . . . . A 24 LYS CE . 11604 1 275 . 1 . 1 27 27 LYS N N 15 115.081 0.450 . 1 . . . . A 24 LYS N . 11604 1 276 . 1 . 1 28 28 VAL H H 1 8.322 0.040 . 1 . . . . A 25 VAL H . 11604 1 277 . 1 . 1 28 28 VAL HA H 1 3.918 0.040 . 1 . . . . A 25 VAL HA . 11604 1 278 . 1 . 1 28 28 VAL HB H 1 1.534 0.040 . 1 . . . . A 25 VAL HB . 11604 1 279 . 1 . 1 28 28 VAL HG11 H 1 0.315 0.040 . 2 . . . . A 25 VAL HG11 . 11604 1 280 . 1 . 1 28 28 VAL HG12 H 1 0.315 0.040 . 2 . . . . A 25 VAL HG12 . 11604 1 281 . 1 . 1 28 28 VAL HG13 H 1 0.315 0.040 . 2 . . . . A 25 VAL HG13 . 11604 1 282 . 1 . 1 28 28 VAL HG21 H 1 0.089 0.040 . 2 . . . . A 25 VAL HG21 . 11604 1 283 . 1 . 1 28 28 VAL HG22 H 1 0.089 0.040 . 2 . . . . A 25 VAL HG22 . 11604 1 284 . 1 . 1 28 28 VAL HG23 H 1 0.089 0.040 . 2 . . . . A 25 VAL HG23 . 11604 1 285 . 1 . 1 28 28 VAL C C 13 175.002 0.450 . 1 . . . . A 25 VAL C . 11604 1 286 . 1 . 1 28 28 VAL CA C 13 61.623 0.450 . 1 . . . . A 25 VAL CA . 11604 1 287 . 1 . 1 28 28 VAL CB C 13 31.794 0.450 . 1 . . . . A 25 VAL CB . 11604 1 288 . 1 . 1 28 28 VAL CG1 C 13 21.045 0.450 . 1 . . . . A 25 VAL CG1 . 11604 1 289 . 1 . 1 28 28 VAL CG2 C 13 21.797 0.450 . 1 . . . . A 25 VAL CG2 . 11604 1 290 . 1 . 1 28 28 VAL N N 15 123.395 0.450 . 1 . . . . A 25 VAL N . 11604 1 291 . 1 . 1 29 29 LEU H H 1 8.966 0.040 . 1 . . . . A 26 LEU H . 11604 1 292 . 1 . 1 29 29 LEU HA H 1 4.326 0.040 . 1 . . . . A 26 LEU HA . 11604 1 293 . 1 . 1 29 29 LEU HB2 H 1 1.305 0.040 . 2 . . . . A 26 LEU HB2 . 11604 1 294 . 1 . 1 29 29 LEU HB3 H 1 1.076 0.040 . 2 . . . . A 26 LEU HB3 . 11604 1 295 . 1 . 1 29 29 LEU HG H 1 1.220 0.040 . 1 . . . . A 26 LEU HG . 11604 1 296 . 1 . 1 29 29 LEU HD11 H 1 0.585 0.040 . 2 . . . . A 26 LEU HD11 . 11604 1 297 . 1 . 1 29 29 LEU HD12 H 1 0.585 0.040 . 2 . . . . A 26 LEU HD12 . 11604 1 298 . 1 . 1 29 29 LEU HD13 H 1 0.585 0.040 . 2 . . . . A 26 LEU HD13 . 11604 1 299 . 1 . 1 29 29 LEU HD21 H 1 0.654 0.040 . 2 . . . . A 26 LEU HD21 . 11604 1 300 . 1 . 1 29 29 LEU HD22 H 1 0.654 0.040 . 2 . . . . A 26 LEU HD22 . 11604 1 301 . 1 . 1 29 29 LEU HD23 H 1 0.654 0.040 . 2 . . . . A 26 LEU HD23 . 11604 1 302 . 1 . 1 29 29 LEU C C 13 176.642 0.450 . 1 . . . . A 26 LEU C . 11604 1 303 . 1 . 1 29 29 LEU CA C 13 55.611 0.450 . 1 . . . . A 26 LEU CA . 11604 1 304 . 1 . 1 29 29 LEU CB C 13 44.275 0.450 . 1 . . . . A 26 LEU CB . 11604 1 305 . 1 . 1 29 29 LEU CG C 13 26.996 0.450 . 1 . . . . A 26 LEU CG . 11604 1 306 . 1 . 1 29 29 LEU CD1 C 13 26.393 0.450 . 1 . . . . A 26 LEU CD1 . 11604 1 307 . 1 . 1 29 29 LEU CD2 C 13 23.041 0.450 . 1 . . . . A 26 LEU CD2 . 11604 1 308 . 1 . 1 29 29 LEU N N 15 123.801 0.450 . 1 . . . . A 26 LEU N . 11604 1 309 . 1 . 1 30 30 ASP H H 1 7.123 0.040 . 1 . . . . A 27 ASP H . 11604 1 310 . 1 . 1 30 30 ASP HA H 1 4.857 0.040 . 1 . . . . A 27 ASP HA . 11604 1 311 . 1 . 1 30 30 ASP HB2 H 1 2.577 0.040 . 2 . . . . A 27 ASP HB2 . 11604 1 312 . 1 . 1 30 30 ASP HB3 H 1 2.477 0.040 . 2 . . . . A 27 ASP HB3 . 11604 1 313 . 1 . 1 30 30 ASP C C 13 172.812 0.450 . 1 . . . . A 27 ASP C . 11604 1 314 . 1 . 1 30 30 ASP CA C 13 53.018 0.450 . 1 . . . . A 27 ASP CA . 11604 1 315 . 1 . 1 30 30 ASP CB C 13 42.802 0.450 . 1 . . . . A 27 ASP CB . 11604 1 316 . 1 . 1 30 30 ASP N N 15 114.853 0.450 . 1 . . . . A 27 ASP N . 11604 1 317 . 1 . 1 31 31 ARG H H 1 9.526 0.040 . 1 . . . . A 28 ARG H . 11604 1 318 . 1 . 1 31 31 ARG HA H 1 5.259 0.040 . 1 . . . . A 28 ARG HA . 11604 1 319 . 1 . 1 31 31 ARG HB2 H 1 1.441 0.040 . 2 . . . . A 28 ARG HB2 . 11604 1 320 . 1 . 1 31 31 ARG HB3 H 1 1.388 0.040 . 2 . . . . A 28 ARG HB3 . 11604 1 321 . 1 . 1 31 31 ARG HG2 H 1 1.201 0.040 . 2 . . . . A 28 ARG HG2 . 11604 1 322 . 1 . 1 31 31 ARG HG3 H 1 0.908 0.040 . 2 . . . . A 28 ARG HG3 . 11604 1 323 . 1 . 1 31 31 ARG HD2 H 1 3.001 0.040 . 2 . . . . A 28 ARG HD2 . 11604 1 324 . 1 . 1 31 31 ARG HD3 H 1 2.689 0.040 . 2 . . . . A 28 ARG HD3 . 11604 1 325 . 1 . 1 31 31 ARG HE H 1 6.883 0.040 . 1 . . . . A 28 ARG HE . 11604 1 326 . 1 . 1 31 31 ARG C C 13 173.572 0.450 . 1 . . . . A 28 ARG C . 11604 1 327 . 1 . 1 31 31 ARG CA C 13 54.769 0.450 . 1 . . . . A 28 ARG CA . 11604 1 328 . 1 . 1 31 31 ARG CB C 13 35.751 0.450 . 1 . . . . A 28 ARG CB . 11604 1 329 . 1 . 1 31 31 ARG CG C 13 27.187 0.450 . 1 . . . . A 28 ARG CG . 11604 1 330 . 1 . 1 31 31 ARG CD C 13 43.740 0.450 . 1 . . . . A 28 ARG CD . 11604 1 331 . 1 . 1 31 31 ARG CZ C 13 158.870 0.450 . 1 . . . . A 28 ARG CZ . 11604 1 332 . 1 . 1 31 31 ARG N N 15 122.173 0.450 . 1 . . . . A 28 ARG N . 11604 1 333 . 1 . 1 31 31 ARG NE N 15 84.480 0.450 . 1 . . . . A 28 ARG NE . 11604 1 334 . 1 . 1 32 32 ARG H H 1 9.226 0.040 . 1 . . . . A 29 ARG H . 11604 1 335 . 1 . 1 32 32 ARG HA H 1 4.695 0.040 . 1 . . . . A 29 ARG HA . 11604 1 336 . 1 . 1 32 32 ARG HB2 H 1 1.503 0.040 . 2 . . . . A 29 ARG HB2 . 11604 1 337 . 1 . 1 32 32 ARG HB3 H 1 1.270 0.040 . 2 . . . . A 29 ARG HB3 . 11604 1 338 . 1 . 1 32 32 ARG HG2 H 1 1.056 0.040 . 2 . . . . A 29 ARG HG2 . 11604 1 339 . 1 . 1 32 32 ARG HG3 H 1 0.637 0.040 . 2 . . . . A 29 ARG HG3 . 11604 1 340 . 1 . 1 32 32 ARG HE H 1 6.057 0.040 . 1 . . . . A 29 ARG HE . 11604 1 341 . 1 . 1 32 32 ARG C C 13 171.937 0.450 . 1 . . . . A 29 ARG C . 11604 1 342 . 1 . 1 32 32 ARG CA C 13 53.824 0.450 . 1 . . . . A 29 ARG CA . 11604 1 343 . 1 . 1 32 32 ARG CB C 13 32.456 0.450 . 1 . . . . A 29 ARG CB . 11604 1 344 . 1 . 1 32 32 ARG CG C 13 25.010 0.450 . 1 . . . . A 29 ARG CG . 11604 1 345 . 1 . 1 32 32 ARG CD C 13 42.212 0.450 . 1 . . . . A 29 ARG CD . 11604 1 346 . 1 . 1 32 32 ARG CZ C 13 158.151 0.450 . 1 . . . . A 29 ARG CZ . 11604 1 347 . 1 . 1 32 32 ARG N N 15 123.646 0.450 . 1 . . . . A 29 ARG N . 11604 1 348 . 1 . 1 32 32 ARG NE N 15 83.937 0.450 . 1 . . . . A 29 ARG NE . 11604 1 349 . 1 . 1 33 33 MET H H 1 8.287 0.040 . 1 . . . . A 30 MET H . 11604 1 350 . 1 . 1 33 33 MET HA H 1 5.172 0.040 . 1 . . . . A 30 MET HA . 11604 1 351 . 1 . 1 33 33 MET HB2 H 1 1.792 0.040 . 2 . . . . A 30 MET HB2 . 11604 1 352 . 1 . 1 33 33 MET HB3 H 1 1.700 0.040 . 2 . . . . A 30 MET HB3 . 11604 1 353 . 1 . 1 33 33 MET HG2 H 1 2.213 0.040 . 2 . . . . A 30 MET HG2 . 11604 1 354 . 1 . 1 33 33 MET HG3 H 1 2.213 0.040 . 2 . . . . A 30 MET HG3 . 11604 1 355 . 1 . 1 33 33 MET HE1 H 1 1.838 0.040 . 1 . . . . A 30 MET HE1 . 11604 1 356 . 1 . 1 33 33 MET HE2 H 1 1.838 0.040 . 1 . . . . A 30 MET HE2 . 11604 1 357 . 1 . 1 33 33 MET HE3 H 1 1.838 0.040 . 1 . . . . A 30 MET HE3 . 11604 1 358 . 1 . 1 33 33 MET C C 13 175.898 0.450 . 1 . . . . A 30 MET C . 11604 1 359 . 1 . 1 33 33 MET CA C 13 53.702 0.450 . 1 . . . . A 30 MET CA . 11604 1 360 . 1 . 1 33 33 MET CB C 13 33.829 0.450 . 1 . . . . A 30 MET CB . 11604 1 361 . 1 . 1 33 33 MET CG C 13 31.749 0.450 . 1 . . . . A 30 MET CG . 11604 1 362 . 1 . 1 33 33 MET CE C 13 16.377 0.450 . 1 . . . . A 30 MET CE . 11604 1 363 . 1 . 1 33 33 MET N N 15 118.340 0.450 . 1 . . . . A 30 MET N . 11604 1 364 . 1 . 1 34 34 VAL H H 1 8.830 0.040 . 1 . . . . A 31 VAL H . 11604 1 365 . 1 . 1 34 34 VAL HA H 1 4.052 0.040 . 1 . . . . A 31 VAL HA . 11604 1 366 . 1 . 1 34 34 VAL HB H 1 1.694 0.040 . 1 . . . . A 31 VAL HB . 11604 1 367 . 1 . 1 34 34 VAL HG11 H 1 0.710 0.040 . 2 . . . . A 31 VAL HG11 . 11604 1 368 . 1 . 1 34 34 VAL HG12 H 1 0.710 0.040 . 2 . . . . A 31 VAL HG12 . 11604 1 369 . 1 . 1 34 34 VAL HG13 H 1 0.710 0.040 . 2 . . . . A 31 VAL HG13 . 11604 1 370 . 1 . 1 34 34 VAL HG21 H 1 0.507 0.040 . 2 . . . . A 31 VAL HG21 . 11604 1 371 . 1 . 1 34 34 VAL HG22 H 1 0.507 0.040 . 2 . . . . A 31 VAL HG22 . 11604 1 372 . 1 . 1 34 34 VAL HG23 H 1 0.507 0.040 . 2 . . . . A 31 VAL HG23 . 11604 1 373 . 1 . 1 34 34 VAL C C 13 175.998 0.450 . 1 . . . . A 31 VAL C . 11604 1 374 . 1 . 1 34 34 VAL CA C 13 61.157 0.450 . 1 . . . . A 31 VAL CA . 11604 1 375 . 1 . 1 34 34 VAL CB C 13 34.297 0.450 . 1 . . . . A 31 VAL CB . 11604 1 376 . 1 . 1 34 34 VAL CG1 C 13 21.015 0.450 . 1 . . . . A 31 VAL CG1 . 11604 1 377 . 1 . 1 34 34 VAL CG2 C 13 20.360 0.450 . 1 . . . . A 31 VAL CG2 . 11604 1 378 . 1 . 1 34 34 VAL N N 15 124.651 0.450 . 1 . . . . A 31 VAL N . 11604 1 379 . 1 . 1 35 35 LYS H H 1 9.507 0.040 . 1 . . . . A 32 LYS H . 11604 1 380 . 1 . 1 35 35 LYS HA H 1 3.796 0.040 . 1 . . . . A 32 LYS HA . 11604 1 381 . 1 . 1 35 35 LYS HB2 H 1 1.947 0.040 . 2 . . . . A 32 LYS HB2 . 11604 1 382 . 1 . 1 35 35 LYS HB3 H 1 1.738 0.040 . 2 . . . . A 32 LYS HB3 . 11604 1 383 . 1 . 1 35 35 LYS HG2 H 1 1.352 0.040 . 2 . . . . A 32 LYS HG2 . 11604 1 384 . 1 . 1 35 35 LYS HG3 H 1 1.352 0.040 . 2 . . . . A 32 LYS HG3 . 11604 1 385 . 1 . 1 35 35 LYS HD2 H 1 1.639 0.040 . 2 . . . . A 32 LYS HD2 . 11604 1 386 . 1 . 1 35 35 LYS HD3 H 1 1.591 0.040 . 2 . . . . A 32 LYS HD3 . 11604 1 387 . 1 . 1 35 35 LYS HE2 H 1 2.903 0.040 . 2 . . . . A 32 LYS HE2 . 11604 1 388 . 1 . 1 35 35 LYS HE3 H 1 2.903 0.040 . 2 . . . . A 32 LYS HE3 . 11604 1 389 . 1 . 1 35 35 LYS C C 13 176.537 0.450 . 1 . . . . A 32 LYS C . 11604 1 390 . 1 . 1 35 35 LYS CA C 13 57.041 0.450 . 1 . . . . A 32 LYS CA . 11604 1 391 . 1 . 1 35 35 LYS CB C 13 29.989 0.450 . 1 . . . . A 32 LYS CB . 11604 1 392 . 1 . 1 35 35 LYS CG C 13 25.140 0.450 . 1 . . . . A 32 LYS CG . 11604 1 393 . 1 . 1 35 35 LYS CD C 13 29.446 0.450 . 1 . . . . A 32 LYS CD . 11604 1 394 . 1 . 1 35 35 LYS CE C 13 41.793 0.450 . 1 . . . . A 32 LYS CE . 11604 1 395 . 1 . 1 35 35 LYS N N 15 128.466 0.450 . 1 . . . . A 32 LYS N . 11604 1 396 . 1 . 1 36 36 GLY H H 1 8.480 0.040 . 1 . . . . A 33 GLY H . 11604 1 397 . 1 . 1 36 36 GLY HA2 H 1 4.069 0.040 . 2 . . . . A 33 GLY HA2 . 11604 1 398 . 1 . 1 36 36 GLY HA3 H 1 3.551 0.040 . 2 . . . . A 33 GLY HA3 . 11604 1 399 . 1 . 1 36 36 GLY C C 13 173.398 0.450 . 1 . . . . A 33 GLY C . 11604 1 400 . 1 . 1 36 36 GLY CA C 13 45.202 0.450 . 1 . . . . A 33 GLY CA . 11604 1 401 . 1 . 1 36 36 GLY N N 15 103.728 0.450 . 1 . . . . A 33 GLY N . 11604 1 402 . 1 . 1 37 37 GLN H H 1 7.871 0.040 . 1 . . . . A 34 GLN H . 11604 1 403 . 1 . 1 37 37 GLN HA H 1 4.593 0.040 . 1 . . . . A 34 GLN HA . 11604 1 404 . 1 . 1 37 37 GLN HB2 H 1 2.219 0.040 . 2 . . . . A 34 GLN HB2 . 11604 1 405 . 1 . 1 37 37 GLN HB3 H 1 2.017 0.040 . 2 . . . . A 34 GLN HB3 . 11604 1 406 . 1 . 1 37 37 GLN HG2 H 1 2.290 0.040 . 2 . . . . A 34 GLN HG2 . 11604 1 407 . 1 . 1 37 37 GLN HG3 H 1 2.290 0.040 . 2 . . . . A 34 GLN HG3 . 11604 1 408 . 1 . 1 37 37 GLN HE21 H 1 7.776 0.040 . 2 . . . . A 34 GLN HE21 . 11604 1 409 . 1 . 1 37 37 GLN HE22 H 1 6.912 0.040 . 2 . . . . A 34 GLN HE22 . 11604 1 410 . 1 . 1 37 37 GLN C C 13 174.234 0.450 . 1 . . . . A 34 GLN C . 11604 1 411 . 1 . 1 37 37 GLN CA C 13 53.704 0.450 . 1 . . . . A 34 GLN CA . 11604 1 412 . 1 . 1 37 37 GLN CB C 13 31.016 0.450 . 1 . . . . A 34 GLN CB . 11604 1 413 . 1 . 1 37 37 GLN CG C 13 33.731 0.450 . 1 . . . . A 34 GLN CG . 11604 1 414 . 1 . 1 37 37 GLN N N 15 119.880 0.450 . 1 . . . . A 34 GLN N . 11604 1 415 . 1 . 1 37 37 GLN NE2 N 15 113.101 0.450 . 1 . . . . A 34 GLN NE2 . 11604 1 416 . 1 . 1 38 38 VAL H H 1 8.679 0.040 . 1 . . . . A 35 VAL H . 11604 1 417 . 1 . 1 38 38 VAL HA H 1 4.246 0.040 . 1 . . . . A 35 VAL HA . 11604 1 418 . 1 . 1 38 38 VAL HB H 1 1.842 0.040 . 1 . . . . A 35 VAL HB . 11604 1 419 . 1 . 1 38 38 VAL HG11 H 1 0.874 0.040 . 2 . . . . A 35 VAL HG11 . 11604 1 420 . 1 . 1 38 38 VAL HG12 H 1 0.874 0.040 . 2 . . . . A 35 VAL HG12 . 11604 1 421 . 1 . 1 38 38 VAL HG13 H 1 0.874 0.040 . 2 . . . . A 35 VAL HG13 . 11604 1 422 . 1 . 1 38 38 VAL HG21 H 1 0.447 0.040 . 2 . . . . A 35 VAL HG21 . 11604 1 423 . 1 . 1 38 38 VAL HG22 H 1 0.447 0.040 . 2 . . . . A 35 VAL HG22 . 11604 1 424 . 1 . 1 38 38 VAL HG23 H 1 0.447 0.040 . 2 . . . . A 35 VAL HG23 . 11604 1 425 . 1 . 1 38 38 VAL C C 13 176.140 0.450 . 1 . . . . A 35 VAL C . 11604 1 426 . 1 . 1 38 38 VAL CA C 13 62.756 0.450 . 1 . . . . A 35 VAL CA . 11604 1 427 . 1 . 1 38 38 VAL CB C 13 31.954 0.450 . 1 . . . . A 35 VAL CB . 11604 1 428 . 1 . 1 38 38 VAL CG1 C 13 22.373 0.450 . 1 . . . . A 35 VAL CG1 . 11604 1 429 . 1 . 1 38 38 VAL CG2 C 13 21.938 0.450 . 1 . . . . A 35 VAL CG2 . 11604 1 430 . 1 . 1 38 38 VAL N N 15 124.741 0.450 . 1 . . . . A 35 VAL N . 11604 1 431 . 1 . 1 39 39 GLU H H 1 8.966 0.040 . 1 . . . . A 36 GLU H . 11604 1 432 . 1 . 1 39 39 GLU HA H 1 5.059 0.040 . 1 . . . . A 36 GLU HA . 11604 1 433 . 1 . 1 39 39 GLU HB2 H 1 1.818 0.040 . 2 . . . . A 36 GLU HB2 . 11604 1 434 . 1 . 1 39 39 GLU HB3 H 1 1.611 0.040 . 2 . . . . A 36 GLU HB3 . 11604 1 435 . 1 . 1 39 39 GLU HG2 H 1 2.064 0.040 . 2 . . . . A 36 GLU HG2 . 11604 1 436 . 1 . 1 39 39 GLU HG3 H 1 1.792 0.040 . 2 . . . . A 36 GLU HG3 . 11604 1 437 . 1 . 1 39 39 GLU C C 13 174.337 0.450 . 1 . . . . A 36 GLU C . 11604 1 438 . 1 . 1 39 39 GLU CA C 13 53.847 0.450 . 1 . . . . A 36 GLU CA . 11604 1 439 . 1 . 1 39 39 GLU CB C 13 35.256 0.450 . 1 . . . . A 36 GLU CB . 11604 1 440 . 1 . 1 39 39 GLU CG C 13 35.783 0.450 . 1 . . . . A 36 GLU CG . 11604 1 441 . 1 . 1 39 39 GLU N N 15 126.531 0.450 . 1 . . . . A 36 GLU N . 11604 1 442 . 1 . 1 40 40 TYR H H 1 8.877 0.040 . 1 . . . . A 37 TYR H . 11604 1 443 . 1 . 1 40 40 TYR HA H 1 5.235 0.040 . 1 . . . . A 37 TYR HA . 11604 1 444 . 1 . 1 40 40 TYR HB2 H 1 2.218 0.040 . 2 . . . . A 37 TYR HB2 . 11604 1 445 . 1 . 1 40 40 TYR HB3 H 1 2.667 0.040 . 2 . . . . A 37 TYR HB3 . 11604 1 446 . 1 . 1 40 40 TYR HD1 H 1 6.680 0.040 . 1 . . . . A 37 TYR HD1 . 11604 1 447 . 1 . 1 40 40 TYR HD2 H 1 6.680 0.040 . 1 . . . . A 37 TYR HD2 . 11604 1 448 . 1 . 1 40 40 TYR HE1 H 1 6.562 0.040 . 1 . . . . A 37 TYR HE1 . 11604 1 449 . 1 . 1 40 40 TYR HE2 H 1 6.562 0.040 . 1 . . . . A 37 TYR HE2 . 11604 1 450 . 1 . 1 40 40 TYR C C 13 173.326 0.450 . 1 . . . . A 37 TYR C . 11604 1 451 . 1 . 1 40 40 TYR CA C 13 56.778 0.450 . 1 . . . . A 37 TYR CA . 11604 1 452 . 1 . 1 40 40 TYR CB C 13 42.667 0.450 . 1 . . . . A 37 TYR CB . 11604 1 453 . 1 . 1 40 40 TYR CD1 C 13 133.233 0.450 . 1 . . . . A 37 TYR CD1 . 11604 1 454 . 1 . 1 40 40 TYR CD2 C 13 133.233 0.450 . 1 . . . . A 37 TYR CD2 . 11604 1 455 . 1 . 1 40 40 TYR CE1 C 13 117.838 0.450 . 1 . . . . A 37 TYR CE1 . 11604 1 456 . 1 . 1 40 40 TYR CE2 C 13 117.838 0.450 . 1 . . . . A 37 TYR CE2 . 11604 1 457 . 1 . 1 40 40 TYR N N 15 117.326 0.450 . 1 . . . . A 37 TYR N . 11604 1 458 . 1 . 1 41 41 LEU H H 1 7.313 0.040 . 1 . . . . A 38 LEU H . 11604 1 459 . 1 . 1 41 41 LEU HA H 1 3.769 0.040 . 1 . . . . A 38 LEU HA . 11604 1 460 . 1 . 1 41 41 LEU HB2 H 1 0.546 0.040 . 2 . . . . A 38 LEU HB2 . 11604 1 461 . 1 . 1 41 41 LEU HB3 H 1 -1.777 0.040 . 2 . . . . A 38 LEU HB3 . 11604 1 462 . 1 . 1 41 41 LEU HG H 1 0.587 0.040 . 1 . . . . A 38 LEU HG . 11604 1 463 . 1 . 1 41 41 LEU HD11 H 1 0.369 0.040 . 2 . . . . A 38 LEU HD11 . 11604 1 464 . 1 . 1 41 41 LEU HD12 H 1 0.369 0.040 . 2 . . . . A 38 LEU HD12 . 11604 1 465 . 1 . 1 41 41 LEU HD13 H 1 0.369 0.040 . 2 . . . . A 38 LEU HD13 . 11604 1 466 . 1 . 1 41 41 LEU HD21 H 1 -0.462 0.040 . 2 . . . . A 38 LEU HD21 . 11604 1 467 . 1 . 1 41 41 LEU HD22 H 1 -0.462 0.040 . 2 . . . . A 38 LEU HD22 . 11604 1 468 . 1 . 1 41 41 LEU HD23 H 1 -0.462 0.040 . 2 . . . . A 38 LEU HD23 . 11604 1 469 . 1 . 1 41 41 LEU C C 13 174.162 0.450 . 1 . . . . A 38 LEU C . 11604 1 470 . 1 . 1 41 41 LEU CA C 13 53.031 0.450 . 1 . . . . A 38 LEU CA . 11604 1 471 . 1 . 1 41 41 LEU CB C 13 40.371 0.450 . 1 . . . . A 38 LEU CB . 11604 1 472 . 1 . 1 41 41 LEU CG C 13 26.252 0.450 . 1 . . . . A 38 LEU CG . 11604 1 473 . 1 . 1 41 41 LEU CD1 C 13 25.542 0.450 . 1 . . . . A 38 LEU CD1 . 11604 1 474 . 1 . 1 41 41 LEU CD2 C 13 19.742 0.450 . 1 . . . . A 38 LEU CD2 . 11604 1 475 . 1 . 1 41 41 LEU N N 15 126.073 0.450 . 1 . . . . A 38 LEU N . 11604 1 476 . 1 . 1 42 42 LEU H H 1 8.664 0.040 . 1 . . . . A 39 LEU H . 11604 1 477 . 1 . 1 42 42 LEU HA H 1 4.469 0.040 . 1 . . . . A 39 LEU HA . 11604 1 478 . 1 . 1 42 42 LEU HB2 H 1 0.919 0.040 . 2 . . . . A 39 LEU HB2 . 11604 1 479 . 1 . 1 42 42 LEU HB3 H 1 0.156 0.040 . 2 . . . . A 39 LEU HB3 . 11604 1 480 . 1 . 1 42 42 LEU HG H 1 1.379 0.040 . 1 . . . . A 39 LEU HG . 11604 1 481 . 1 . 1 42 42 LEU HD11 H 1 0.458 0.040 . 2 . . . . A 39 LEU HD11 . 11604 1 482 . 1 . 1 42 42 LEU HD12 H 1 0.458 0.040 . 2 . . . . A 39 LEU HD12 . 11604 1 483 . 1 . 1 42 42 LEU HD13 H 1 0.458 0.040 . 2 . . . . A 39 LEU HD13 . 11604 1 484 . 1 . 1 42 42 LEU HD21 H 1 0.425 0.040 . 2 . . . . A 39 LEU HD21 . 11604 1 485 . 1 . 1 42 42 LEU HD22 H 1 0.425 0.040 . 2 . . . . A 39 LEU HD22 . 11604 1 486 . 1 . 1 42 42 LEU HD23 H 1 0.425 0.040 . 2 . . . . A 39 LEU HD23 . 11604 1 487 . 1 . 1 42 42 LEU C C 13 174.360 0.450 . 1 . . . . A 39 LEU C . 11604 1 488 . 1 . 1 42 42 LEU CA C 13 53.236 0.450 . 1 . . . . A 39 LEU CA . 11604 1 489 . 1 . 1 42 42 LEU CB C 13 42.008 0.450 . 1 . . . . A 39 LEU CB . 11604 1 490 . 1 . 1 42 42 LEU CG C 13 26.333 0.450 . 1 . . . . A 39 LEU CG . 11604 1 491 . 1 . 1 42 42 LEU CD1 C 13 25.041 0.450 . 1 . . . . A 39 LEU CD1 . 11604 1 492 . 1 . 1 42 42 LEU CD2 C 13 25.905 0.450 . 1 . . . . A 39 LEU CD2 . 11604 1 493 . 1 . 1 42 42 LEU N N 15 128.228 0.450 . 1 . . . . A 39 LEU N . 11604 1 494 . 1 . 1 43 43 LYS H H 1 7.537 0.040 . 1 . . . . A 40 LYS H . 11604 1 495 . 1 . 1 43 43 LYS HA H 1 4.512 0.040 . 1 . . . . A 40 LYS HA . 11604 1 496 . 1 . 1 43 43 LYS HB2 H 1 1.534 0.040 . 2 . . . . A 40 LYS HB2 . 11604 1 497 . 1 . 1 43 43 LYS HB3 H 1 1.534 0.040 . 2 . . . . A 40 LYS HB3 . 11604 1 498 . 1 . 1 43 43 LYS HG2 H 1 1.355 0.040 . 2 . . . . A 40 LYS HG2 . 11604 1 499 . 1 . 1 43 43 LYS HG3 H 1 1.355 0.040 . 2 . . . . A 40 LYS HG3 . 11604 1 500 . 1 . 1 43 43 LYS HE2 H 1 2.909 0.040 . 2 . . . . A 40 LYS HE2 . 11604 1 501 . 1 . 1 43 43 LYS HE3 H 1 2.909 0.040 . 2 . . . . A 40 LYS HE3 . 11604 1 502 . 1 . 1 43 43 LYS C C 13 175.656 0.450 . 1 . . . . A 40 LYS C . 11604 1 503 . 1 . 1 43 43 LYS CA C 13 53.155 0.450 . 1 . . . . A 40 LYS CA . 11604 1 504 . 1 . 1 43 43 LYS CB C 13 35.108 0.450 . 1 . . . . A 40 LYS CB . 11604 1 505 . 1 . 1 43 43 LYS CG C 13 25.062 0.450 . 1 . . . . A 40 LYS CG . 11604 1 506 . 1 . 1 43 43 LYS N N 15 118.555 0.450 . 1 . . . . A 40 LYS N . 11604 1 507 . 1 . 1 44 44 TRP H H 1 9.231 0.040 . 1 . . . . A 41 TRP H . 11604 1 508 . 1 . 1 44 44 TRP HA H 1 4.919 0.040 . 1 . . . . A 41 TRP HA . 11604 1 509 . 1 . 1 44 44 TRP HB2 H 1 3.332 0.040 . 2 . . . . A 41 TRP HB2 . 11604 1 510 . 1 . 1 44 44 TRP HB3 H 1 3.029 0.040 . 2 . . . . A 41 TRP HB3 . 11604 1 511 . 1 . 1 44 44 TRP HD1 H 1 7.395 0.040 . 1 . . . . A 41 TRP HD1 . 11604 1 512 . 1 . 1 44 44 TRP HE1 H 1 10.110 0.040 . 1 . . . . A 41 TRP HE1 . 11604 1 513 . 1 . 1 44 44 TRP HE3 H 1 6.839 0.040 . 1 . . . . A 41 TRP HE3 . 11604 1 514 . 1 . 1 44 44 TRP HZ2 H 1 7.278 0.040 . 1 . . . . A 41 TRP HZ2 . 11604 1 515 . 1 . 1 44 44 TRP HZ3 H 1 6.701 0.040 . 1 . . . . A 41 TRP HZ3 . 11604 1 516 . 1 . 1 44 44 TRP HH2 H 1 6.745 0.040 . 1 . . . . A 41 TRP HH2 . 11604 1 517 . 1 . 1 44 44 TRP C C 13 176.972 0.450 . 1 . . . . A 41 TRP C . 11604 1 518 . 1 . 1 44 44 TRP CA C 13 55.560 0.450 . 1 . . . . A 41 TRP CA . 11604 1 519 . 1 . 1 44 44 TRP CB C 13 30.937 0.450 . 1 . . . . A 41 TRP CB . 11604 1 520 . 1 . 1 44 44 TRP CD1 C 13 129.325 0.450 . 1 . . . . A 41 TRP CD1 . 11604 1 521 . 1 . 1 44 44 TRP CE2 C 13 139.173 0.450 . 1 . . . . A 41 TRP CE2 . 11604 1 522 . 1 . 1 44 44 TRP CE3 C 13 120.690 0.450 . 1 . . . . A 41 TRP CE3 . 11604 1 523 . 1 . 1 44 44 TRP CZ2 C 13 114.882 0.450 . 1 . . . . A 41 TRP CZ2 . 11604 1 524 . 1 . 1 44 44 TRP CZ3 C 13 123.870 0.450 . 1 . . . . A 41 TRP CZ3 . 11604 1 525 . 1 . 1 44 44 TRP CH2 C 13 123.366 0.450 . 1 . . . . A 41 TRP CH2 . 11604 1 526 . 1 . 1 44 44 TRP N N 15 131.381 0.450 . 1 . . . . A 41 TRP N . 11604 1 527 . 1 . 1 44 44 TRP NE1 N 15 128.793 0.450 . 1 . . . . A 41 TRP NE1 . 11604 1 528 . 1 . 1 45 45 LYS H H 1 9.404 0.040 . 1 . . . . A 42 LYS H . 11604 1 529 . 1 . 1 45 45 LYS HA H 1 4.251 0.040 . 1 . . . . A 42 LYS HA . 11604 1 530 . 1 . 1 45 45 LYS HB2 H 1 1.935 0.040 . 2 . . . . A 42 LYS HB2 . 11604 1 531 . 1 . 1 45 45 LYS HB3 H 1 1.568 0.040 . 2 . . . . A 42 LYS HB3 . 11604 1 532 . 1 . 1 45 45 LYS HG2 H 1 1.347 0.040 . 2 . . . . A 42 LYS HG2 . 11604 1 533 . 1 . 1 45 45 LYS HG3 H 1 1.347 0.040 . 2 . . . . A 42 LYS HG3 . 11604 1 534 . 1 . 1 45 45 LYS HD2 H 1 1.599 0.040 . 2 . . . . A 42 LYS HD2 . 11604 1 535 . 1 . 1 45 45 LYS HD3 H 1 1.599 0.040 . 2 . . . . A 42 LYS HD3 . 11604 1 536 . 1 . 1 45 45 LYS C C 13 178.110 0.450 . 1 . . . . A 42 LYS C . 11604 1 537 . 1 . 1 45 45 LYS CA C 13 58.123 0.450 . 1 . . . . A 42 LYS CA . 11604 1 538 . 1 . 1 45 45 LYS CB C 13 32.979 0.450 . 1 . . . . A 42 LYS CB . 11604 1 539 . 1 . 1 45 45 LYS CG C 13 24.734 0.450 . 1 . . . . A 42 LYS CG . 11604 1 540 . 1 . 1 45 45 LYS N N 15 125.772 0.450 . 1 . . . . A 42 LYS N . 11604 1 541 . 1 . 1 46 46 GLY H H 1 9.326 0.040 . 1 . . . . A 43 GLY H . 11604 1 542 . 1 . 1 46 46 GLY HA2 H 1 3.912 0.040 . 2 . . . . A 43 GLY HA2 . 11604 1 543 . 1 . 1 46 46 GLY HA3 H 1 3.495 0.040 . 2 . . . . A 43 GLY HA3 . 11604 1 544 . 1 . 1 46 46 GLY C C 13 173.163 0.450 . 1 . . . . A 43 GLY C . 11604 1 545 . 1 . 1 46 46 GLY CA C 13 45.033 0.450 . 1 . . . . A 43 GLY CA . 11604 1 546 . 1 . 1 46 46 GLY N N 15 114.054 0.450 . 1 . . . . A 43 GLY N . 11604 1 547 . 1 . 1 47 47 PHE H H 1 7.727 0.040 . 1 . . . . A 44 PHE H . 11604 1 548 . 1 . 1 47 47 PHE HA H 1 4.737 0.040 . 1 . . . . A 44 PHE HA . 11604 1 549 . 1 . 1 47 47 PHE HB2 H 1 3.021 0.040 . 2 . . . . A 44 PHE HB2 . 11604 1 550 . 1 . 1 47 47 PHE HB3 H 1 2.860 0.040 . 2 . . . . A 44 PHE HB3 . 11604 1 551 . 1 . 1 47 47 PHE HD1 H 1 6.623 0.040 . 1 . . . . A 44 PHE HD1 . 11604 1 552 . 1 . 1 47 47 PHE HD2 H 1 6.623 0.040 . 1 . . . . A 44 PHE HD2 . 11604 1 553 . 1 . 1 47 47 PHE HE1 H 1 6.912 0.040 . 1 . . . . A 44 PHE HE1 . 11604 1 554 . 1 . 1 47 47 PHE HE2 H 1 6.912 0.040 . 1 . . . . A 44 PHE HE2 . 11604 1 555 . 1 . 1 47 47 PHE C C 13 175.331 0.450 . 1 . . . . A 44 PHE C . 11604 1 556 . 1 . 1 47 47 PHE CA C 13 56.437 0.450 . 1 . . . . A 44 PHE CA . 11604 1 557 . 1 . 1 47 47 PHE CB C 13 42.153 0.450 . 1 . . . . A 44 PHE CB . 11604 1 558 . 1 . 1 47 47 PHE CD1 C 13 131.970 0.450 . 1 . . . . A 44 PHE CD1 . 11604 1 559 . 1 . 1 47 47 PHE CD2 C 13 131.970 0.450 . 1 . . . . A 44 PHE CD2 . 11604 1 560 . 1 . 1 47 47 PHE CE1 C 13 131.480 0.450 . 1 . . . . A 44 PHE CE1 . 11604 1 561 . 1 . 1 47 47 PHE CE2 C 13 131.480 0.450 . 1 . . . . A 44 PHE CE2 . 11604 1 562 . 1 . 1 47 47 PHE N N 15 118.092 0.450 . 1 . . . . A 44 PHE N . 11604 1 563 . 1 . 1 48 48 SER H H 1 8.912 0.040 . 1 . . . . A 45 SER H . 11604 1 564 . 1 . 1 48 48 SER HA H 1 4.475 0.040 . 1 . . . . A 45 SER HA . 11604 1 565 . 1 . 1 48 48 SER HB2 H 1 4.088 0.040 . 2 . . . . A 45 SER HB2 . 11604 1 566 . 1 . 1 48 48 SER HB3 H 1 4.088 0.040 . 2 . . . . A 45 SER HB3 . 11604 1 567 . 1 . 1 48 48 SER C C 13 175.502 0.450 . 1 . . . . A 45 SER C . 11604 1 568 . 1 . 1 48 48 SER CA C 13 57.808 0.450 . 1 . . . . A 45 SER CA . 11604 1 569 . 1 . 1 48 48 SER CB C 13 64.342 0.450 . 1 . . . . A 45 SER CB . 11604 1 570 . 1 . 1 48 48 SER N N 15 116.734 0.450 . 1 . . . . A 45 SER N . 11604 1 571 . 1 . 1 49 49 GLU H H 1 9.028 0.040 . 1 . . . . A 46 GLU H . 11604 1 572 . 1 . 1 49 49 GLU HA H 1 4.353 0.040 . 1 . . . . A 46 GLU HA . 11604 1 573 . 1 . 1 49 49 GLU HB2 H 1 2.109 0.040 . 2 . . . . A 46 GLU HB2 . 11604 1 574 . 1 . 1 49 49 GLU HB3 H 1 2.053 0.040 . 2 . . . . A 46 GLU HB3 . 11604 1 575 . 1 . 1 49 49 GLU HG2 H 1 2.331 0.040 . 2 . . . . A 46 GLU HG2 . 11604 1 576 . 1 . 1 49 49 GLU HG3 H 1 2.331 0.040 . 2 . . . . A 46 GLU HG3 . 11604 1 577 . 1 . 1 49 49 GLU C C 13 178.182 0.450 . 1 . . . . A 46 GLU C . 11604 1 578 . 1 . 1 49 49 GLU CA C 13 58.397 0.450 . 1 . . . . A 46 GLU CA . 11604 1 579 . 1 . 1 49 49 GLU CB C 13 29.327 0.450 . 1 . . . . A 46 GLU CB . 11604 1 580 . 1 . 1 49 49 GLU CG C 13 36.489 0.450 . 1 . . . . A 46 GLU CG . 11604 1 581 . 1 . 1 49 49 GLU N N 15 118.630 0.450 . 1 . . . . A 46 GLU N . 11604 1 582 . 1 . 1 50 50 GLU H H 1 8.805 0.040 . 1 . . . . A 47 GLU H . 11604 1 583 . 1 . 1 50 50 GLU HA H 1 4.090 0.040 . 1 . . . . A 47 GLU HA . 11604 1 584 . 1 . 1 50 50 GLU HB2 H 1 1.815 0.040 . 2 . . . . A 47 GLU HB2 . 11604 1 585 . 1 . 1 50 50 GLU HB3 H 1 1.767 0.040 . 2 . . . . A 47 GLU HB3 . 11604 1 586 . 1 . 1 50 50 GLU HG2 H 1 2.092 0.040 . 2 . . . . A 47 GLU HG2 . 11604 1 587 . 1 . 1 50 50 GLU HG3 H 1 2.020 0.040 . 2 . . . . A 47 GLU HG3 . 11604 1 588 . 1 . 1 50 50 GLU C C 13 177.123 0.450 . 1 . . . . A 47 GLU C . 11604 1 589 . 1 . 1 50 50 GLU CA C 13 58.680 0.450 . 1 . . . . A 47 GLU CA . 11604 1 590 . 1 . 1 50 50 GLU CB C 13 28.602 0.450 . 1 . . . . A 47 GLU CB . 11604 1 591 . 1 . 1 50 50 GLU CG C 13 36.205 0.450 . 1 . . . . A 47 GLU CG . 11604 1 592 . 1 . 1 50 50 GLU N N 15 121.463 0.450 . 1 . . . . A 47 GLU N . 11604 1 593 . 1 . 1 51 51 HIS H H 1 8.247 0.040 . 1 . . . . A 48 HIS H . 11604 1 594 . 1 . 1 51 51 HIS HA H 1 4.471 0.040 . 1 . . . . A 48 HIS HA . 11604 1 595 . 1 . 1 51 51 HIS HB2 H 1 3.416 0.040 . 2 . . . . A 48 HIS HB2 . 11604 1 596 . 1 . 1 51 51 HIS HB3 H 1 3.271 0.040 . 2 . . . . A 48 HIS HB3 . 11604 1 597 . 1 . 1 51 51 HIS HD2 H 1 7.374 0.040 . 1 . . . . A 48 HIS HD2 . 11604 1 598 . 1 . 1 51 51 HIS C C 13 173.918 0.450 . 1 . . . . A 48 HIS C . 11604 1 599 . 1 . 1 51 51 HIS CA C 13 55.698 0.450 . 1 . . . . A 48 HIS CA . 11604 1 600 . 1 . 1 51 51 HIS CB C 13 30.080 0.450 . 1 . . . . A 48 HIS CB . 11604 1 601 . 1 . 1 51 51 HIS CD2 C 13 121.335 0.450 . 1 . . . . A 48 HIS CD2 . 11604 1 602 . 1 . 1 51 51 HIS N N 15 117.035 0.450 . 1 . . . . A 48 HIS N . 11604 1 603 . 1 . 1 52 52 ASN H H 1 7.489 0.040 . 1 . . . . A 49 ASN H . 11604 1 604 . 1 . 1 52 52 ASN HA H 1 4.997 0.040 . 1 . . . . A 49 ASN HA . 11604 1 605 . 1 . 1 52 52 ASN HB2 H 1 2.582 0.040 . 2 . . . . A 49 ASN HB2 . 11604 1 606 . 1 . 1 52 52 ASN HB3 H 1 2.369 0.040 . 2 . . . . A 49 ASN HB3 . 11604 1 607 . 1 . 1 52 52 ASN HD21 H 1 6.829 0.040 . 2 . . . . A 49 ASN HD21 . 11604 1 608 . 1 . 1 52 52 ASN HD22 H 1 6.196 0.040 . 2 . . . . A 49 ASN HD22 . 11604 1 609 . 1 . 1 52 52 ASN C C 13 177.062 0.450 . 1 . . . . A 49 ASN C . 11604 1 610 . 1 . 1 52 52 ASN CA C 13 54.374 0.450 . 1 . . . . A 49 ASN CA . 11604 1 611 . 1 . 1 52 52 ASN CB C 13 37.231 0.450 . 1 . . . . A 49 ASN CB . 11604 1 612 . 1 . 1 52 52 ASN CG C 13 174.299 0.450 . 1 . . . . A 49 ASN CG . 11604 1 613 . 1 . 1 52 52 ASN N N 15 120.526 0.450 . 1 . . . . A 49 ASN N . 11604 1 614 . 1 . 1 52 52 ASN ND2 N 15 106.426 0.450 . 1 . . . . A 49 ASN ND2 . 11604 1 615 . 1 . 1 53 53 THR H H 1 7.824 0.040 . 1 . . . . A 50 THR H . 11604 1 616 . 1 . 1 53 53 THR HA H 1 4.767 0.040 . 1 . . . . A 50 THR HA . 11604 1 617 . 1 . 1 53 53 THR HB H 1 4.313 0.040 . 1 . . . . A 50 THR HB . 11604 1 618 . 1 . 1 53 53 THR HG21 H 1 1.270 0.040 . 1 . . . . A 50 THR HG21 . 11604 1 619 . 1 . 1 53 53 THR HG22 H 1 1.270 0.040 . 1 . . . . A 50 THR HG22 . 11604 1 620 . 1 . 1 53 53 THR HG23 H 1 1.270 0.040 . 1 . . . . A 50 THR HG23 . 11604 1 621 . 1 . 1 53 53 THR C C 13 173.028 0.450 . 1 . . . . A 50 THR C . 11604 1 622 . 1 . 1 53 53 THR CA C 13 59.657 0.450 . 1 . . . . A 50 THR CA . 11604 1 623 . 1 . 1 53 53 THR CB C 13 72.282 0.450 . 1 . . . . A 50 THR CB . 11604 1 624 . 1 . 1 53 53 THR CG2 C 13 23.899 0.450 . 1 . . . . A 50 THR CG2 . 11604 1 625 . 1 . 1 53 53 THR N N 15 111.808 0.450 . 1 . . . . A 50 THR N . 11604 1 626 . 1 . 1 54 54 TRP H H 1 8.407 0.040 . 1 . . . . A 51 TRP H . 11604 1 627 . 1 . 1 54 54 TRP HA H 1 5.151 0.040 . 1 . . . . A 51 TRP HA . 11604 1 628 . 1 . 1 54 54 TRP HB2 H 1 2.871 0.040 . 2 . . . . A 51 TRP HB2 . 11604 1 629 . 1 . 1 54 54 TRP HB3 H 1 2.871 0.040 . 2 . . . . A 51 TRP HB3 . 11604 1 630 . 1 . 1 54 54 TRP HD1 H 1 7.106 0.040 . 1 . . . . A 51 TRP HD1 . 11604 1 631 . 1 . 1 54 54 TRP HE1 H 1 10.009 0.040 . 1 . . . . A 51 TRP HE1 . 11604 1 632 . 1 . 1 54 54 TRP HE3 H 1 7.326 0.040 . 1 . . . . A 51 TRP HE3 . 11604 1 633 . 1 . 1 54 54 TRP HZ2 H 1 7.361 0.040 . 1 . . . . A 51 TRP HZ2 . 11604 1 634 . 1 . 1 54 54 TRP HZ3 H 1 6.746 0.040 . 1 . . . . A 51 TRP HZ3 . 11604 1 635 . 1 . 1 54 54 TRP HH2 H 1 6.481 0.040 . 1 . . . . A 51 TRP HH2 . 11604 1 636 . 1 . 1 54 54 TRP C C 13 177.427 0.450 . 1 . . . . A 51 TRP C . 11604 1 637 . 1 . 1 54 54 TRP CA C 13 55.738 0.450 . 1 . . . . A 51 TRP CA . 11604 1 638 . 1 . 1 54 54 TRP CB C 13 29.917 0.450 . 1 . . . . A 51 TRP CB . 11604 1 639 . 1 . 1 54 54 TRP CD1 C 13 128.182 0.450 . 1 . . . . A 51 TRP CD1 . 11604 1 640 . 1 . 1 54 54 TRP CE2 C 13 139.064 0.450 . 1 . . . . A 51 TRP CE2 . 11604 1 641 . 1 . 1 54 54 TRP CE3 C 13 120.226 0.450 . 1 . . . . A 51 TRP CE3 . 11604 1 642 . 1 . 1 54 54 TRP CZ2 C 13 115.339 0.450 . 1 . . . . A 51 TRP CZ2 . 11604 1 643 . 1 . 1 54 54 TRP CZ3 C 13 122.842 0.450 . 1 . . . . A 51 TRP CZ3 . 11604 1 644 . 1 . 1 54 54 TRP CH2 C 13 122.100 0.450 . 1 . . . . A 51 TRP CH2 . 11604 1 645 . 1 . 1 54 54 TRP N N 15 122.090 0.450 . 1 . . . . A 51 TRP N . 11604 1 646 . 1 . 1 54 54 TRP NE1 N 15 129.524 0.450 . 1 . . . . A 51 TRP NE1 . 11604 1 647 . 1 . 1 55 55 GLU H H 1 9.485 0.040 . 1 . . . . A 52 GLU H . 11604 1 648 . 1 . 1 55 55 GLU HA H 1 5.355 0.040 . 1 . . . . A 52 GLU HA . 11604 1 649 . 1 . 1 55 55 GLU HB2 H 1 2.182 0.040 . 2 . . . . A 52 GLU HB2 . 11604 1 650 . 1 . 1 55 55 GLU HB3 H 1 1.682 0.040 . 2 . . . . A 52 GLU HB3 . 11604 1 651 . 1 . 1 55 55 GLU HG2 H 1 2.514 0.040 . 2 . . . . A 52 GLU HG2 . 11604 1 652 . 1 . 1 55 55 GLU HG3 H 1 2.419 0.040 . 2 . . . . A 52 GLU HG3 . 11604 1 653 . 1 . 1 55 55 GLU C C 13 174.162 0.450 . 1 . . . . A 52 GLU C . 11604 1 654 . 1 . 1 55 55 GLU CA C 13 51.744 0.450 . 1 . . . . A 52 GLU CA . 11604 1 655 . 1 . 1 55 55 GLU CB C 13 32.606 0.450 . 1 . . . . A 52 GLU CB . 11604 1 656 . 1 . 1 55 55 GLU CG C 13 34.688 0.450 . 1 . . . . A 52 GLU CG . 11604 1 657 . 1 . 1 55 55 GLU N N 15 122.882 0.450 . 1 . . . . A 52 GLU N . 11604 1 658 . 1 . 1 56 56 PRO HA H 1 4.882 0.040 . 1 . . . . A 53 PRO HA . 11604 1 659 . 1 . 1 56 56 PRO HB2 H 1 1.981 0.040 . 2 . . . . A 53 PRO HB2 . 11604 1 660 . 1 . 1 56 56 PRO HB3 H 1 2.450 0.040 . 2 . . . . A 53 PRO HB3 . 11604 1 661 . 1 . 1 56 56 PRO HG2 H 1 2.061 0.040 . 2 . . . . A 53 PRO HG2 . 11604 1 662 . 1 . 1 56 56 PRO HG3 H 1 2.061 0.040 . 2 . . . . A 53 PRO HG3 . 11604 1 663 . 1 . 1 56 56 PRO HD2 H 1 3.945 0.040 . 2 . . . . A 53 PRO HD2 . 11604 1 664 . 1 . 1 56 56 PRO HD3 H 1 3.945 0.040 . 2 . . . . A 53 PRO HD3 . 11604 1 665 . 1 . 1 56 56 PRO C C 13 177.672 0.450 . 1 . . . . A 53 PRO C . 11604 1 666 . 1 . 1 56 56 PRO CA C 13 62.401 0.450 . 1 . . . . A 53 PRO CA . 11604 1 667 . 1 . 1 56 56 PRO CB C 13 32.450 0.450 . 1 . . . . A 53 PRO CB . 11604 1 668 . 1 . 1 56 56 PRO CG C 13 27.679 0.450 . 1 . . . . A 53 PRO CG . 11604 1 669 . 1 . 1 56 56 PRO CD C 13 51.075 0.450 . 1 . . . . A 53 PRO CD . 11604 1 670 . 1 . 1 57 57 GLU H H 1 8.609 0.040 . 1 . . . . A 54 GLU H . 11604 1 671 . 1 . 1 57 57 GLU HA H 1 3.991 0.040 . 1 . . . . A 54 GLU HA . 11604 1 672 . 1 . 1 57 57 GLU HB2 H 1 2.150 0.040 . 2 . . . . A 54 GLU HB2 . 11604 1 673 . 1 . 1 57 57 GLU HB3 H 1 2.150 0.040 . 2 . . . . A 54 GLU HB3 . 11604 1 674 . 1 . 1 57 57 GLU HG2 H 1 2.376 0.040 . 2 . . . . A 54 GLU HG2 . 11604 1 675 . 1 . 1 57 57 GLU HG3 H 1 2.376 0.040 . 2 . . . . A 54 GLU HG3 . 11604 1 676 . 1 . 1 57 57 GLU C C 13 178.182 0.450 . 1 . . . . A 54 GLU C . 11604 1 677 . 1 . 1 57 57 GLU CA C 13 59.896 0.450 . 1 . . . . A 54 GLU CA . 11604 1 678 . 1 . 1 57 57 GLU CB C 13 30.075 0.450 . 1 . . . . A 54 GLU CB . 11604 1 679 . 1 . 1 57 57 GLU CG C 13 36.016 0.450 . 1 . . . . A 54 GLU CG . 11604 1 680 . 1 . 1 57 57 GLU N N 15 123.874 0.450 . 1 . . . . A 54 GLU N . 11604 1 681 . 1 . 1 58 58 LYS H H 1 8.388 0.040 . 1 . . . . A 55 LYS H . 11604 1 682 . 1 . 1 58 58 LYS HA H 1 4.266 0.040 . 1 . . . . A 55 LYS HA . 11604 1 683 . 1 . 1 58 58 LYS HB2 H 1 1.910 0.040 . 2 . . . . A 55 LYS HB2 . 11604 1 684 . 1 . 1 58 58 LYS HB3 H 1 1.910 0.040 . 2 . . . . A 55 LYS HB3 . 11604 1 685 . 1 . 1 58 58 LYS HG2 H 1 1.428 0.040 . 2 . . . . A 55 LYS HG2 . 11604 1 686 . 1 . 1 58 58 LYS HG3 H 1 1.428 0.040 . 2 . . . . A 55 LYS HG3 . 11604 1 687 . 1 . 1 58 58 LYS HD2 H 1 1.652 0.040 . 2 . . . . A 55 LYS HD2 . 11604 1 688 . 1 . 1 58 58 LYS HD3 H 1 1.652 0.040 . 2 . . . . A 55 LYS HD3 . 11604 1 689 . 1 . 1 58 58 LYS HE2 H 1 2.974 0.040 . 2 . . . . A 55 LYS HE2 . 11604 1 690 . 1 . 1 58 58 LYS HE3 H 1 2.974 0.040 . 2 . . . . A 55 LYS HE3 . 11604 1 691 . 1 . 1 58 58 LYS C C 13 176.537 0.450 . 1 . . . . A 55 LYS C . 11604 1 692 . 1 . 1 58 58 LYS CA C 13 57.716 0.450 . 1 . . . . A 55 LYS CA . 11604 1 693 . 1 . 1 58 58 LYS CB C 13 31.719 0.450 . 1 . . . . A 55 LYS CB . 11604 1 694 . 1 . 1 58 58 LYS CG C 13 24.350 0.450 . 1 . . . . A 55 LYS CG . 11604 1 695 . 1 . 1 58 58 LYS CD C 13 29.442 0.450 . 1 . . . . A 55 LYS CD . 11604 1 696 . 1 . 1 58 58 LYS CE C 13 41.329 0.450 . 1 . . . . A 55 LYS CE . 11604 1 697 . 1 . 1 58 58 LYS N N 15 115.621 0.450 . 1 . . . . A 55 LYS N . 11604 1 698 . 1 . 1 59 59 ASN H H 1 7.854 0.040 . 1 . . . . A 56 ASN H . 11604 1 699 . 1 . 1 59 59 ASN HA H 1 4.853 0.040 . 1 . . . . A 56 ASN HA . 11604 1 700 . 1 . 1 59 59 ASN HB2 H 1 3.283 0.040 . 2 . . . . A 56 ASN HB2 . 11604 1 701 . 1 . 1 59 59 ASN HB3 H 1 2.934 0.040 . 2 . . . . A 56 ASN HB3 . 11604 1 702 . 1 . 1 59 59 ASN HD21 H 1 7.906 0.040 . 2 . . . . A 56 ASN HD21 . 11604 1 703 . 1 . 1 59 59 ASN HD22 H 1 6.939 0.040 . 2 . . . . A 56 ASN HD22 . 11604 1 704 . 1 . 1 59 59 ASN C C 13 175.011 0.450 . 1 . . . . A 56 ASN C . 11604 1 705 . 1 . 1 59 59 ASN CA C 13 52.529 0.450 . 1 . . . . A 56 ASN CA . 11604 1 706 . 1 . 1 59 59 ASN CB C 13 38.504 0.450 . 1 . . . . A 56 ASN CB . 11604 1 707 . 1 . 1 59 59 ASN CG C 13 176.636 0.450 . 1 . . . . A 56 ASN CG . 11604 1 708 . 1 . 1 59 59 ASN N N 15 117.695 0.450 . 1 . . . . A 56 ASN N . 11604 1 709 . 1 . 1 59 59 ASN ND2 N 15 110.584 0.450 . 1 . . . . A 56 ASN ND2 . 11604 1 710 . 1 . 1 60 60 LEU H H 1 7.616 0.040 . 1 . . . . A 57 LEU H . 11604 1 711 . 1 . 1 60 60 LEU HA H 1 4.535 0.040 . 1 . . . . A 57 LEU HA . 11604 1 712 . 1 . 1 60 60 LEU HB2 H 1 1.677 0.040 . 2 . . . . A 57 LEU HB2 . 11604 1 713 . 1 . 1 60 60 LEU HB3 H 1 1.923 0.040 . 2 . . . . A 57 LEU HB3 . 11604 1 714 . 1 . 1 60 60 LEU HG H 1 1.873 0.040 . 1 . . . . A 57 LEU HG . 11604 1 715 . 1 . 1 60 60 LEU HD11 H 1 0.721 0.040 . 2 . . . . A 57 LEU HD11 . 11604 1 716 . 1 . 1 60 60 LEU HD12 H 1 0.721 0.040 . 2 . . . . A 57 LEU HD12 . 11604 1 717 . 1 . 1 60 60 LEU HD13 H 1 0.721 0.040 . 2 . . . . A 57 LEU HD13 . 11604 1 718 . 1 . 1 60 60 LEU HD21 H 1 0.800 0.040 . 2 . . . . A 57 LEU HD21 . 11604 1 719 . 1 . 1 60 60 LEU HD22 H 1 0.800 0.040 . 2 . . . . A 57 LEU HD22 . 11604 1 720 . 1 . 1 60 60 LEU HD23 H 1 0.800 0.040 . 2 . . . . A 57 LEU HD23 . 11604 1 721 . 1 . 1 60 60 LEU C C 13 175.969 0.450 . 1 . . . . A 57 LEU C . 11604 1 722 . 1 . 1 60 60 LEU CA C 13 54.526 0.450 . 1 . . . . A 57 LEU CA . 11604 1 723 . 1 . 1 60 60 LEU CB C 13 43.588 0.450 . 1 . . . . A 57 LEU CB . 11604 1 724 . 1 . 1 60 60 LEU CG C 13 26.798 0.450 . 1 . . . . A 57 LEU CG . 11604 1 725 . 1 . 1 60 60 LEU CD1 C 13 23.060 0.450 . 1 . . . . A 57 LEU CD1 . 11604 1 726 . 1 . 1 60 60 LEU CD2 C 13 26.445 0.450 . 1 . . . . A 57 LEU CD2 . 11604 1 727 . 1 . 1 60 60 LEU N N 15 120.221 0.450 . 1 . . . . A 57 LEU N . 11604 1 728 . 1 . 1 61 61 ASP H H 1 8.726 0.040 . 1 . . . . A 58 ASP H . 11604 1 729 . 1 . 1 61 61 ASP HA H 1 4.944 0.040 . 1 . . . . A 58 ASP HA . 11604 1 730 . 1 . 1 61 61 ASP HB2 H 1 2.738 0.040 . 2 . . . . A 58 ASP HB2 . 11604 1 731 . 1 . 1 61 61 ASP HB3 H 1 2.470 0.040 . 2 . . . . A 58 ASP HB3 . 11604 1 732 . 1 . 1 61 61 ASP C C 13 174.382 0.450 . 1 . . . . A 58 ASP C . 11604 1 733 . 1 . 1 61 61 ASP CA C 13 52.375 0.450 . 1 . . . . A 58 ASP CA . 11604 1 734 . 1 . 1 61 61 ASP CB C 13 40.542 0.450 . 1 . . . . A 58 ASP CB . 11604 1 735 . 1 . 1 61 61 ASP N N 15 122.662 0.450 . 1 . . . . A 58 ASP N . 11604 1 736 . 1 . 1 62 62 CYS H H 1 8.089 0.040 . 1 . . . . A 59 CYS H . 11604 1 737 . 1 . 1 62 62 CYS HA H 1 5.186 0.040 . 1 . . . . A 59 CYS HA . 11604 1 738 . 1 . 1 62 62 CYS HB2 H 1 2.887 0.040 . 2 . . . . A 59 CYS HB2 . 11604 1 739 . 1 . 1 62 62 CYS HB3 H 1 2.652 0.040 . 2 . . . . A 59 CYS HB3 . 11604 1 740 . 1 . 1 62 62 CYS C C 13 172.699 0.450 . 1 . . . . A 59 CYS C . 11604 1 741 . 1 . 1 62 62 CYS CA C 13 53.689 0.450 . 1 . . . . A 59 CYS CA . 11604 1 742 . 1 . 1 62 62 CYS CB C 13 27.769 0.450 . 1 . . . . A 59 CYS CB . 11604 1 743 . 1 . 1 62 62 CYS N N 15 114.444 0.450 . 1 . . . . A 59 CYS N . 11604 1 744 . 1 . 1 63 63 PRO HA H 1 4.144 0.040 . 1 . . . . A 60 PRO HA . 11604 1 745 . 1 . 1 63 63 PRO HB2 H 1 2.018 0.040 . 2 . . . . A 60 PRO HB2 . 11604 1 746 . 1 . 1 63 63 PRO HB3 H 1 2.252 0.040 . 2 . . . . A 60 PRO HB3 . 11604 1 747 . 1 . 1 63 63 PRO HG2 H 1 2.054 0.040 . 2 . . . . A 60 PRO HG2 . 11604 1 748 . 1 . 1 63 63 PRO HG3 H 1 2.054 0.040 . 2 . . . . A 60 PRO HG3 . 11604 1 749 . 1 . 1 63 63 PRO HD2 H 1 3.695 0.040 . 2 . . . . A 60 PRO HD2 . 11604 1 750 . 1 . 1 63 63 PRO HD3 H 1 3.569 0.040 . 2 . . . . A 60 PRO HD3 . 11604 1 751 . 1 . 1 63 63 PRO C C 13 179.493 0.450 . 1 . . . . A 60 PRO C . 11604 1 752 . 1 . 1 63 63 PRO CA C 13 65.593 0.450 . 1 . . . . A 60 PRO CA . 11604 1 753 . 1 . 1 63 63 PRO CB C 13 31.078 0.450 . 1 . . . . A 60 PRO CB . 11604 1 754 . 1 . 1 63 63 PRO CG C 13 27.418 0.450 . 1 . . . . A 60 PRO CG . 11604 1 755 . 1 . 1 63 63 PRO CD C 13 50.758 0.450 . 1 . . . . A 60 PRO CD . 11604 1 756 . 1 . 1 64 64 GLU H H 1 9.026 0.040 . 1 . . . . A 61 GLU H . 11604 1 757 . 1 . 1 64 64 GLU HA H 1 4.155 0.040 . 1 . . . . A 61 GLU HA . 11604 1 758 . 1 . 1 64 64 GLU HB2 H 1 2.012 0.040 . 2 . . . . A 61 GLU HB2 . 11604 1 759 . 1 . 1 64 64 GLU HB3 H 1 2.012 0.040 . 2 . . . . A 61 GLU HB3 . 11604 1 760 . 1 . 1 64 64 GLU HG2 H 1 2.307 0.040 . 2 . . . . A 61 GLU HG2 . 11604 1 761 . 1 . 1 64 64 GLU HG3 H 1 2.307 0.040 . 2 . . . . A 61 GLU HG3 . 11604 1 762 . 1 . 1 64 64 GLU C C 13 179.156 0.450 . 1 . . . . A 61 GLU C . 11604 1 763 . 1 . 1 64 64 GLU CA C 13 59.623 0.450 . 1 . . . . A 61 GLU CA . 11604 1 764 . 1 . 1 64 64 GLU CB C 13 28.352 0.450 . 1 . . . . A 61 GLU CB . 11604 1 765 . 1 . 1 64 64 GLU CG C 13 36.416 0.450 . 1 . . . . A 61 GLU CG . 11604 1 766 . 1 . 1 64 64 GLU N N 15 119.267 0.450 . 1 . . . . A 61 GLU N . 11604 1 767 . 1 . 1 65 65 LEU H H 1 7.323 0.040 . 1 . . . . A 62 LEU H . 11604 1 768 . 1 . 1 65 65 LEU HA H 1 4.148 0.040 . 1 . . . . A 62 LEU HA . 11604 1 769 . 1 . 1 65 65 LEU HB2 H 1 1.684 0.040 . 2 . . . . A 62 LEU HB2 . 11604 1 770 . 1 . 1 65 65 LEU HB3 H 1 1.349 0.040 . 2 . . . . A 62 LEU HB3 . 11604 1 771 . 1 . 1 65 65 LEU HG H 1 1.589 0.040 . 1 . . . . A 62 LEU HG . 11604 1 772 . 1 . 1 65 65 LEU HD11 H 1 0.668 0.040 . 2 . . . . A 62 LEU HD11 . 11604 1 773 . 1 . 1 65 65 LEU HD12 H 1 0.668 0.040 . 2 . . . . A 62 LEU HD12 . 11604 1 774 . 1 . 1 65 65 LEU HD13 H 1 0.668 0.040 . 2 . . . . A 62 LEU HD13 . 11604 1 775 . 1 . 1 65 65 LEU HD21 H 1 0.757 0.040 . 2 . . . . A 62 LEU HD21 . 11604 1 776 . 1 . 1 65 65 LEU HD22 H 1 0.757 0.040 . 2 . . . . A 62 LEU HD22 . 11604 1 777 . 1 . 1 65 65 LEU HD23 H 1 0.757 0.040 . 2 . . . . A 62 LEU HD23 . 11604 1 778 . 1 . 1 65 65 LEU C C 13 181.029 0.450 . 1 . . . . A 62 LEU C . 11604 1 779 . 1 . 1 65 65 LEU CA C 13 57.044 0.450 . 1 . . . . A 62 LEU CA . 11604 1 780 . 1 . 1 65 65 LEU CB C 13 41.705 0.450 . 1 . . . . A 62 LEU CB . 11604 1 781 . 1 . 1 65 65 LEU CG C 13 26.995 0.450 . 1 . . . . A 62 LEU CG . 11604 1 782 . 1 . 1 65 65 LEU CD1 C 13 26.215 0.450 . 1 . . . . A 62 LEU CD1 . 11604 1 783 . 1 . 1 65 65 LEU CD2 C 13 22.483 0.450 . 1 . . . . A 62 LEU CD2 . 11604 1 784 . 1 . 1 65 65 LEU N N 15 119.169 0.450 . 1 . . . . A 62 LEU N . 11604 1 785 . 1 . 1 66 66 ILE H H 1 7.616 0.040 . 1 . . . . A 63 ILE H . 11604 1 786 . 1 . 1 66 66 ILE HA H 1 3.325 0.040 . 1 . . . . A 63 ILE HA . 11604 1 787 . 1 . 1 66 66 ILE HB H 1 1.655 0.040 . 1 . . . . A 63 ILE HB . 11604 1 788 . 1 . 1 66 66 ILE HG12 H 1 1.264 0.040 . 2 . . . . A 63 ILE HG12 . 11604 1 789 . 1 . 1 66 66 ILE HG13 H 1 0.173 0.040 . 2 . . . . A 63 ILE HG13 . 11604 1 790 . 1 . 1 66 66 ILE HG21 H 1 0.739 0.040 . 1 . . . . A 63 ILE HG21 . 11604 1 791 . 1 . 1 66 66 ILE HG22 H 1 0.739 0.040 . 1 . . . . A 63 ILE HG22 . 11604 1 792 . 1 . 1 66 66 ILE HG23 H 1 0.739 0.040 . 1 . . . . A 63 ILE HG23 . 11604 1 793 . 1 . 1 66 66 ILE HD11 H 1 0.391 0.040 . 1 . . . . A 63 ILE HD11 . 11604 1 794 . 1 . 1 66 66 ILE HD12 H 1 0.391 0.040 . 1 . . . . A 63 ILE HD12 . 11604 1 795 . 1 . 1 66 66 ILE HD13 H 1 0.391 0.040 . 1 . . . . A 63 ILE HD13 . 11604 1 796 . 1 . 1 66 66 ILE C C 13 177.519 0.450 . 1 . . . . A 63 ILE C . 11604 1 797 . 1 . 1 66 66 ILE CA C 13 65.246 0.450 . 1 . . . . A 63 ILE CA . 11604 1 798 . 1 . 1 66 66 ILE CB C 13 37.769 0.450 . 1 . . . . A 63 ILE CB . 11604 1 799 . 1 . 1 66 66 ILE CG1 C 13 29.076 0.450 . 1 . . . . A 63 ILE CG1 . 11604 1 800 . 1 . 1 66 66 ILE CG2 C 13 17.499 0.450 . 1 . . . . A 63 ILE CG2 . 11604 1 801 . 1 . 1 66 66 ILE CD1 C 13 12.816 0.450 . 1 . . . . A 63 ILE CD1 . 11604 1 802 . 1 . 1 66 66 ILE N N 15 121.212 0.450 . 1 . . . . A 63 ILE N . 11604 1 803 . 1 . 1 67 67 SER H H 1 8.363 0.040 . 1 . . . . A 64 SER H . 11604 1 804 . 1 . 1 67 67 SER HA H 1 4.124 0.040 . 1 . . . . A 64 SER HA . 11604 1 805 . 1 . 1 67 67 SER HB2 H 1 3.934 0.040 . 2 . . . . A 64 SER HB2 . 11604 1 806 . 1 . 1 67 67 SER HB3 H 1 3.934 0.040 . 2 . . . . A 64 SER HB3 . 11604 1 807 . 1 . 1 67 67 SER C C 13 177.469 0.450 . 1 . . . . A 64 SER C . 11604 1 808 . 1 . 1 67 67 SER CA C 13 61.783 0.450 . 1 . . . . A 64 SER CA . 11604 1 809 . 1 . 1 67 67 SER CB C 13 62.225 0.450 . 1 . . . . A 64 SER CB . 11604 1 810 . 1 . 1 67 67 SER N N 15 115.434 0.450 . 1 . . . . A 64 SER N . 11604 1 811 . 1 . 1 68 68 GLU H H 1 7.769 0.040 . 1 . . . . A 65 GLU H . 11604 1 812 . 1 . 1 68 68 GLU HA H 1 4.001 0.040 . 1 . . . . A 65 GLU HA . 11604 1 813 . 1 . 1 68 68 GLU HB2 H 1 2.129 0.040 . 2 . . . . A 65 GLU HB2 . 11604 1 814 . 1 . 1 68 68 GLU HB3 H 1 2.085 0.040 . 2 . . . . A 65 GLU HB3 . 11604 1 815 . 1 . 1 68 68 GLU HG2 H 1 2.342 0.040 . 2 . . . . A 65 GLU HG2 . 11604 1 816 . 1 . 1 68 68 GLU HG3 H 1 2.342 0.040 . 2 . . . . A 65 GLU HG3 . 11604 1 817 . 1 . 1 68 68 GLU C C 13 178.788 0.450 . 1 . . . . A 65 GLU C . 11604 1 818 . 1 . 1 68 68 GLU CA C 13 59.270 0.450 . 1 . . . . A 65 GLU CA . 11604 1 819 . 1 . 1 68 68 GLU CB C 13 29.751 0.450 . 1 . . . . A 65 GLU CB . 11604 1 820 . 1 . 1 68 68 GLU CG C 13 35.846 0.450 . 1 . . . . A 65 GLU CG . 11604 1 821 . 1 . 1 68 68 GLU N N 15 120.312 0.450 . 1 . . . . A 65 GLU N . 11604 1 822 . 1 . 1 69 69 PHE H H 1 7.594 0.040 . 1 . . . . A 66 PHE H . 11604 1 823 . 1 . 1 69 69 PHE HA H 1 4.229 0.040 . 1 . . . . A 66 PHE HA . 11604 1 824 . 1 . 1 69 69 PHE HB2 H 1 3.213 0.040 . 2 . . . . A 66 PHE HB2 . 11604 1 825 . 1 . 1 69 69 PHE HB3 H 1 3.093 0.040 . 2 . . . . A 66 PHE HB3 . 11604 1 826 . 1 . 1 69 69 PHE HD1 H 1 7.067 0.040 . 1 . . . . A 66 PHE HD1 . 11604 1 827 . 1 . 1 69 69 PHE HD2 H 1 7.067 0.040 . 1 . . . . A 66 PHE HD2 . 11604 1 828 . 1 . 1 69 69 PHE HE1 H 1 6.985 0.040 . 1 . . . . A 66 PHE HE1 . 11604 1 829 . 1 . 1 69 69 PHE HE2 H 1 6.985 0.040 . 1 . . . . A 66 PHE HE2 . 11604 1 830 . 1 . 1 69 69 PHE C C 13 177.720 0.450 . 1 . . . . A 66 PHE C . 11604 1 831 . 1 . 1 69 69 PHE CA C 13 61.278 0.450 . 1 . . . . A 66 PHE CA . 11604 1 832 . 1 . 1 69 69 PHE CB C 13 38.891 0.450 . 1 . . . . A 66 PHE CB . 11604 1 833 . 1 . 1 69 69 PHE CD1 C 13 132.629 0.450 . 1 . . . . A 66 PHE CD1 . 11604 1 834 . 1 . 1 69 69 PHE CD2 C 13 132.629 0.450 . 1 . . . . A 66 PHE CD2 . 11604 1 835 . 1 . 1 69 69 PHE CE1 C 13 131.505 0.450 . 1 . . . . A 66 PHE CE1 . 11604 1 836 . 1 . 1 69 69 PHE CE2 C 13 131.505 0.450 . 1 . . . . A 66 PHE CE2 . 11604 1 837 . 1 . 1 69 69 PHE N N 15 120.594 0.450 . 1 . . . . A 66 PHE N . 11604 1 838 . 1 . 1 70 70 MET H H 1 8.767 0.040 . 1 . . . . A 67 MET H . 11604 1 839 . 1 . 1 70 70 MET HA H 1 4.402 0.040 . 1 . . . . A 67 MET HA . 11604 1 840 . 1 . 1 70 70 MET HB2 H 1 2.257 0.040 . 2 . . . . A 67 MET HB2 . 11604 1 841 . 1 . 1 70 70 MET HB3 H 1 2.059 0.040 . 2 . . . . A 67 MET HB3 . 11604 1 842 . 1 . 1 70 70 MET HG2 H 1 2.874 0.040 . 2 . . . . A 67 MET HG2 . 11604 1 843 . 1 . 1 70 70 MET HG3 H 1 2.874 0.040 . 2 . . . . A 67 MET HG3 . 11604 1 844 . 1 . 1 70 70 MET HE1 H 1 1.892 0.040 . 1 . . . . A 67 MET HE1 . 11604 1 845 . 1 . 1 70 70 MET HE2 H 1 1.892 0.040 . 1 . . . . A 67 MET HE2 . 11604 1 846 . 1 . 1 70 70 MET HE3 H 1 1.892 0.040 . 1 . . . . A 67 MET HE3 . 11604 1 847 . 1 . 1 70 70 MET C C 13 179.108 0.450 . 1 . . . . A 67 MET C . 11604 1 848 . 1 . 1 70 70 MET CA C 13 55.840 0.450 . 1 . . . . A 67 MET CA . 11604 1 849 . 1 . 1 70 70 MET CB C 13 30.067 0.450 . 1 . . . . A 67 MET CB . 11604 1 850 . 1 . 1 70 70 MET CG C 13 32.486 0.450 . 1 . . . . A 67 MET CG . 11604 1 851 . 1 . 1 70 70 MET CE C 13 16.665 0.450 . 1 . . . . A 67 MET CE . 11604 1 852 . 1 . 1 70 70 MET N N 15 117.796 0.450 . 1 . . . . A 67 MET N . 11604 1 853 . 1 . 1 71 71 LYS H H 1 7.808 0.040 . 1 . . . . A 68 LYS H . 11604 1 854 . 1 . 1 71 71 LYS HA H 1 4.006 0.040 . 1 . . . . A 68 LYS HA . 11604 1 855 . 1 . 1 71 71 LYS HB2 H 1 1.875 0.040 . 2 . . . . A 68 LYS HB2 . 11604 1 856 . 1 . 1 71 71 LYS HB3 H 1 1.875 0.040 . 2 . . . . A 68 LYS HB3 . 11604 1 857 . 1 . 1 71 71 LYS HG2 H 1 1.401 0.040 . 2 . . . . A 68 LYS HG2 . 11604 1 858 . 1 . 1 71 71 LYS HG3 H 1 1.401 0.040 . 2 . . . . A 68 LYS HG3 . 11604 1 859 . 1 . 1 71 71 LYS HD2 H 1 1.646 0.040 . 2 . . . . A 68 LYS HD2 . 11604 1 860 . 1 . 1 71 71 LYS HD3 H 1 1.646 0.040 . 2 . . . . A 68 LYS HD3 . 11604 1 861 . 1 . 1 71 71 LYS HE2 H 1 2.906 0.040 . 2 . . . . A 68 LYS HE2 . 11604 1 862 . 1 . 1 71 71 LYS HE3 H 1 2.906 0.040 . 2 . . . . A 68 LYS HE3 . 11604 1 863 . 1 . 1 71 71 LYS C C 13 178.549 0.450 . 1 . . . . A 68 LYS C . 11604 1 864 . 1 . 1 71 71 LYS CA C 13 59.345 0.450 . 1 . . . . A 68 LYS CA . 11604 1 865 . 1 . 1 71 71 LYS CB C 13 32.613 0.450 . 1 . . . . A 68 LYS CB . 11604 1 866 . 1 . 1 71 71 LYS CG C 13 25.164 0.450 . 1 . . . . A 68 LYS CG . 11604 1 867 . 1 . 1 71 71 LYS CD C 13 28.679 0.450 . 1 . . . . A 68 LYS CD . 11604 1 868 . 1 . 1 71 71 LYS CE C 13 41.699 0.450 . 1 . . . . A 68 LYS CE . 11604 1 869 . 1 . 1 71 71 LYS N N 15 119.808 0.450 . 1 . . . . A 68 LYS N . 11604 1 870 . 1 . 1 72 72 LYS H H 1 7.151 0.040 . 1 . . . . A 69 LYS H . 11604 1 871 . 1 . 1 72 72 LYS HA H 1 4.132 0.040 . 1 . . . . A 69 LYS HA . 11604 1 872 . 1 . 1 72 72 LYS HB2 H 1 1.730 0.040 . 2 . . . . A 69 LYS HB2 . 11604 1 873 . 1 . 1 72 72 LYS HB3 H 1 1.730 0.040 . 2 . . . . A 69 LYS HB3 . 11604 1 874 . 1 . 1 72 72 LYS HG2 H 1 1.351 0.040 . 2 . . . . A 69 LYS HG2 . 11604 1 875 . 1 . 1 72 72 LYS HG3 H 1 1.351 0.040 . 2 . . . . A 69 LYS HG3 . 11604 1 876 . 1 . 1 72 72 LYS HD2 H 1 1.599 0.040 . 2 . . . . A 69 LYS HD2 . 11604 1 877 . 1 . 1 72 72 LYS HD3 H 1 1.599 0.040 . 2 . . . . A 69 LYS HD3 . 11604 1 878 . 1 . 1 72 72 LYS HE2 H 1 2.899 0.040 . 2 . . . . A 69 LYS HE2 . 11604 1 879 . 1 . 1 72 72 LYS HE3 H 1 2.899 0.040 . 2 . . . . A 69 LYS HE3 . 11604 1 880 . 1 . 1 72 72 LYS C C 13 177.427 0.450 . 1 . . . . A 69 LYS C . 11604 1 881 . 1 . 1 72 72 LYS CA C 13 57.665 0.450 . 1 . . . . A 69 LYS CA . 11604 1 882 . 1 . 1 72 72 LYS CB C 13 32.430 0.450 . 1 . . . . A 69 LYS CB . 11604 1 883 . 1 . 1 72 72 LYS CG C 13 24.708 0.450 . 1 . . . . A 69 LYS CG . 11604 1 884 . 1 . 1 72 72 LYS CD C 13 28.419 0.450 . 1 . . . . A 69 LYS CD . 11604 1 885 . 1 . 1 72 72 LYS CE C 13 41.759 0.450 . 1 . . . . A 69 LYS CE . 11604 1 886 . 1 . 1 72 72 LYS N N 15 117.682 0.450 . 1 . . . . A 69 LYS N . 11604 1 887 . 1 . 1 73 73 TYR H H 1 7.953 0.040 . 1 . . . . A 70 TYR H . 11604 1 888 . 1 . 1 73 73 TYR HA H 1 4.056 0.040 . 1 . . . . A 70 TYR HA . 11604 1 889 . 1 . 1 73 73 TYR HB2 H 1 2.782 0.040 . 2 . . . . A 70 TYR HB2 . 11604 1 890 . 1 . 1 73 73 TYR HB3 H 1 2.406 0.040 . 2 . . . . A 70 TYR HB3 . 11604 1 891 . 1 . 1 73 73 TYR HD1 H 1 7.052 0.040 . 1 . . . . A 70 TYR HD1 . 11604 1 892 . 1 . 1 73 73 TYR HD2 H 1 7.052 0.040 . 1 . . . . A 70 TYR HD2 . 11604 1 893 . 1 . 1 73 73 TYR HE1 H 1 6.916 0.040 . 1 . . . . A 70 TYR HE1 . 11604 1 894 . 1 . 1 73 73 TYR HE2 H 1 6.916 0.040 . 1 . . . . A 70 TYR HE2 . 11604 1 895 . 1 . 1 73 73 TYR C C 13 176.537 0.450 . 1 . . . . A 70 TYR C . 11604 1 896 . 1 . 1 73 73 TYR CA C 13 59.805 0.450 . 1 . . . . A 70 TYR CA . 11604 1 897 . 1 . 1 73 73 TYR CB C 13 39.163 0.450 . 1 . . . . A 70 TYR CB . 11604 1 898 . 1 . 1 73 73 TYR CD1 C 13 134.176 0.450 . 1 . . . . A 70 TYR CD1 . 11604 1 899 . 1 . 1 73 73 TYR CD2 C 13 134.176 0.450 . 1 . . . . A 70 TYR CD2 . 11604 1 900 . 1 . 1 73 73 TYR CE1 C 13 118.335 0.450 . 1 . . . . A 70 TYR CE1 . 11604 1 901 . 1 . 1 73 73 TYR CE2 C 13 118.335 0.450 . 1 . . . . A 70 TYR CE2 . 11604 1 902 . 1 . 1 73 73 TYR N N 15 121.928 0.450 . 1 . . . . A 70 TYR N . 11604 1 903 . 1 . 1 74 74 LYS H H 1 8.027 0.040 . 1 . . . . A 71 LYS H . 11604 1 904 . 1 . 1 74 74 LYS HA H 1 3.969 0.040 . 1 . . . . A 71 LYS HA . 11604 1 905 . 1 . 1 74 74 LYS HB2 H 1 1.747 0.040 . 2 . . . . A 71 LYS HB2 . 11604 1 906 . 1 . 1 74 74 LYS HB3 H 1 1.747 0.040 . 2 . . . . A 71 LYS HB3 . 11604 1 907 . 1 . 1 74 74 LYS HG2 H 1 1.321 0.040 . 2 . . . . A 71 LYS HG2 . 11604 1 908 . 1 . 1 74 74 LYS HG3 H 1 1.321 0.040 . 2 . . . . A 71 LYS HG3 . 11604 1 909 . 1 . 1 74 74 LYS HD2 H 1 1.636 0.040 . 2 . . . . A 71 LYS HD2 . 11604 1 910 . 1 . 1 74 74 LYS HD3 H 1 1.636 0.040 . 2 . . . . A 71 LYS HD3 . 11604 1 911 . 1 . 1 74 74 LYS HE2 H 1 2.914 0.040 . 2 . . . . A 71 LYS HE2 . 11604 1 912 . 1 . 1 74 74 LYS HE3 H 1 2.914 0.040 . 2 . . . . A 71 LYS HE3 . 11604 1 913 . 1 . 1 74 74 LYS C C 13 176.965 0.450 . 1 . . . . A 71 LYS C . 11604 1 914 . 1 . 1 74 74 LYS CA C 13 57.213 0.450 . 1 . . . . A 71 LYS CA . 11604 1 915 . 1 . 1 74 74 LYS CB C 13 32.404 0.450 . 1 . . . . A 71 LYS CB . 11604 1 916 . 1 . 1 74 74 LYS CG C 13 25.095 0.450 . 1 . . . . A 71 LYS CG . 11604 1 917 . 1 . 1 74 74 LYS CD C 13 29.139 0.450 . 1 . . . . A 71 LYS CD . 11604 1 918 . 1 . 1 74 74 LYS CE C 13 41.729 0.450 . 1 . . . . A 71 LYS CE . 11604 1 919 . 1 . 1 74 74 LYS N N 15 120.352 0.450 . 1 . . . . A 71 LYS N . 11604 1 920 . 1 . 1 75 75 LYS H H 1 7.508 0.040 . 1 . . . . A 72 LYS H . 11604 1 921 . 1 . 1 75 75 LYS HA H 1 4.053 0.040 . 1 . . . . A 72 LYS HA . 11604 1 922 . 1 . 1 75 75 LYS HB2 H 1 1.765 0.040 . 2 . . . . A 72 LYS HB2 . 11604 1 923 . 1 . 1 75 75 LYS HB3 H 1 1.765 0.040 . 2 . . . . A 72 LYS HB3 . 11604 1 924 . 1 . 1 75 75 LYS C C 13 177.528 0.450 . 1 . . . . A 72 LYS C . 11604 1 925 . 1 . 1 75 75 LYS CA C 13 57.257 0.450 . 1 . . . . A 72 LYS CA . 11604 1 926 . 1 . 1 75 75 LYS CB C 13 32.422 0.450 . 1 . . . . A 72 LYS CB . 11604 1 927 . 1 . 1 75 75 LYS N N 15 119.817 0.450 . 1 . . . . A 72 LYS N . 11604 1 928 . 1 . 1 76 76 MET H H 1 8.072 0.040 . 1 . . . . A 73 MET H . 11604 1 929 . 1 . 1 76 76 MET HA H 1 4.274 0.040 . 1 . . . . A 73 MET HA . 11604 1 930 . 1 . 1 76 76 MET HB2 H 1 2.049 0.040 . 2 . . . . A 73 MET HB2 . 11604 1 931 . 1 . 1 76 76 MET HB3 H 1 1.993 0.040 . 2 . . . . A 73 MET HB3 . 11604 1 932 . 1 . 1 76 76 MET HG2 H 1 2.590 0.040 . 2 . . . . A 73 MET HG2 . 11604 1 933 . 1 . 1 76 76 MET HG3 H 1 2.485 0.040 . 2 . . . . A 73 MET HG3 . 11604 1 934 . 1 . 1 76 76 MET C C 13 177.024 0.450 . 1 . . . . A 73 MET C . 11604 1 935 . 1 . 1 76 76 MET CA C 13 56.407 0.450 . 1 . . . . A 73 MET CA . 11604 1 936 . 1 . 1 76 76 MET CB C 13 32.709 0.450 . 1 . . . . A 73 MET CB . 11604 1 937 . 1 . 1 76 76 MET CG C 13 31.759 0.450 . 1 . . . . A 73 MET CG . 11604 1 938 . 1 . 1 76 76 MET N N 15 120.447 0.450 . 1 . . . . A 73 MET N . 11604 1 939 . 1 . 1 77 77 LYS H H 1 8.147 0.040 . 1 . . . . A 74 LYS H . 11604 1 940 . 1 . 1 77 77 LYS HA H 1 4.162 0.040 . 1 . . . . A 74 LYS HA . 11604 1 941 . 1 . 1 77 77 LYS HB2 H 1 1.688 0.040 . 2 . . . . A 74 LYS HB2 . 11604 1 942 . 1 . 1 77 77 LYS HB3 H 1 1.688 0.040 . 2 . . . . A 74 LYS HB3 . 11604 1 943 . 1 . 1 77 77 LYS HG2 H 1 1.308 0.040 . 2 . . . . A 74 LYS HG2 . 11604 1 944 . 1 . 1 77 77 LYS HG3 H 1 1.308 0.040 . 2 . . . . A 74 LYS HG3 . 11604 1 945 . 1 . 1 77 77 LYS HD2 H 1 1.591 0.040 . 2 . . . . A 74 LYS HD2 . 11604 1 946 . 1 . 1 77 77 LYS HD3 H 1 1.591 0.040 . 2 . . . . A 74 LYS HD3 . 11604 1 947 . 1 . 1 77 77 LYS C C 13 177.086 0.450 . 1 . . . . A 74 LYS C . 11604 1 948 . 1 . 1 77 77 LYS CA C 13 56.447 0.450 . 1 . . . . A 74 LYS CA . 11604 1 949 . 1 . 1 77 77 LYS CB C 13 32.514 0.450 . 1 . . . . A 74 LYS CB . 11604 1 950 . 1 . 1 77 77 LYS N N 15 120.967 0.450 . 1 . . . . A 74 LYS N . 11604 1 951 . 1 . 1 78 78 GLU H H 1 8.229 0.040 . 1 . . . . A 75 GLU H . 11604 1 952 . 1 . 1 78 78 GLU HA H 1 4.181 0.040 . 1 . . . . A 75 GLU HA . 11604 1 953 . 1 . 1 78 78 GLU HB2 H 1 1.982 0.040 . 2 . . . . A 75 GLU HB2 . 11604 1 954 . 1 . 1 78 78 GLU HB3 H 1 1.982 0.040 . 2 . . . . A 75 GLU HB3 . 11604 1 955 . 1 . 1 78 78 GLU HG2 H 1 2.250 0.040 . 2 . . . . A 75 GLU HG2 . 11604 1 956 . 1 . 1 78 78 GLU HG3 H 1 2.250 0.040 . 2 . . . . A 75 GLU HG3 . 11604 1 957 . 1 . 1 78 78 GLU C C 13 177.292 0.450 . 1 . . . . A 75 GLU C . 11604 1 958 . 1 . 1 78 78 GLU CA C 13 57.066 0.450 . 1 . . . . A 75 GLU CA . 11604 1 959 . 1 . 1 78 78 GLU CB C 13 29.675 0.450 . 1 . . . . A 75 GLU CB . 11604 1 960 . 1 . 1 78 78 GLU CG C 13 36.355 0.450 . 1 . . . . A 75 GLU CG . 11604 1 961 . 1 . 1 78 78 GLU N N 15 121.409 0.450 . 1 . . . . A 75 GLU N . 11604 1 962 . 1 . 1 79 79 GLY H H 1 8.259 0.040 . 1 . . . . A 76 GLY H . 11604 1 963 . 1 . 1 79 79 GLY HA2 H 1 3.934 0.040 . 2 . . . . A 76 GLY HA2 . 11604 1 964 . 1 . 1 79 79 GLY HA3 H 1 3.934 0.040 . 2 . . . . A 76 GLY HA3 . 11604 1 965 . 1 . 1 79 79 GLY C C 13 174.382 0.450 . 1 . . . . A 76 GLY C . 11604 1 966 . 1 . 1 79 79 GLY CA C 13 45.123 0.450 . 1 . . . . A 76 GLY CA . 11604 1 967 . 1 . 1 79 79 GLY N N 15 109.273 0.450 . 1 . . . . A 76 GLY N . 11604 1 968 . 1 . 1 80 80 GLU H H 1 8.063 0.040 . 1 . . . . A 77 GLU H . 11604 1 969 . 1 . 1 80 80 GLU HA H 1 4.276 0.040 . 1 . . . . A 77 GLU HA . 11604 1 970 . 1 . 1 80 80 GLU HB2 H 1 1.999 0.040 . 2 . . . . A 77 GLU HB2 . 11604 1 971 . 1 . 1 80 80 GLU HB3 H 1 1.938 0.040 . 2 . . . . A 77 GLU HB3 . 11604 1 972 . 1 . 1 80 80 GLU HG2 H 1 2.190 0.040 . 2 . . . . A 77 GLU HG2 . 11604 1 973 . 1 . 1 80 80 GLU HG3 H 1 2.190 0.040 . 2 . . . . A 77 GLU HG3 . 11604 1 974 . 1 . 1 80 80 GLU C C 13 176.322 0.450 . 1 . . . . A 77 GLU C . 11604 1 975 . 1 . 1 80 80 GLU CA C 13 56.398 0.450 . 1 . . . . A 77 GLU CA . 11604 1 976 . 1 . 1 80 80 GLU CB C 13 30.224 0.450 . 1 . . . . A 77 GLU CB . 11604 1 977 . 1 . 1 80 80 GLU CG C 13 36.197 0.450 . 1 . . . . A 77 GLU CG . 11604 1 978 . 1 . 1 80 80 GLU N N 15 120.128 0.450 . 1 . . . . A 77 GLU N . 11604 1 979 . 1 . 1 81 81 ASN H H 1 8.419 0.040 . 1 . . . . A 78 ASN H . 11604 1 980 . 1 . 1 81 81 ASN HA H 1 4.683 0.040 . 1 . . . . A 78 ASN HA . 11604 1 981 . 1 . 1 81 81 ASN HB2 H 1 2.755 0.040 . 2 . . . . A 78 ASN HB2 . 11604 1 982 . 1 . 1 81 81 ASN HB3 H 1 2.755 0.040 . 2 . . . . A 78 ASN HB3 . 11604 1 983 . 1 . 1 81 81 ASN HD21 H 1 7.566 0.040 . 2 . . . . A 78 ASN HD21 . 11604 1 984 . 1 . 1 81 81 ASN HD22 H 1 6.899 0.040 . 2 . . . . A 78 ASN HD22 . 11604 1 985 . 1 . 1 81 81 ASN C C 13 174.786 0.450 . 1 . . . . A 78 ASN C . 11604 1 986 . 1 . 1 81 81 ASN CA C 13 53.374 0.450 . 1 . . . . A 78 ASN CA . 11604 1 987 . 1 . 1 81 81 ASN CB C 13 38.952 0.450 . 1 . . . . A 78 ASN CB . 11604 1 988 . 1 . 1 81 81 ASN CG C 13 177.166 0.450 . 1 . . . . A 78 ASN CG . 11604 1 989 . 1 . 1 81 81 ASN N N 15 118.789 0.450 . 1 . . . . A 78 ASN N . 11604 1 990 . 1 . 1 81 81 ASN ND2 N 15 113.121 0.450 . 1 . . . . A 78 ASN ND2 . 11604 1 991 . 1 . 1 82 82 ASN H H 1 8.281 0.040 . 1 . . . . A 79 ASN H . 11604 1 992 . 1 . 1 82 82 ASN HA H 1 4.687 0.040 . 1 . . . . A 79 ASN HA . 11604 1 993 . 1 . 1 82 82 ASN HB2 H 1 2.801 0.040 . 2 . . . . A 79 ASN HB2 . 11604 1 994 . 1 . 1 82 82 ASN HB3 H 1 2.708 0.040 . 2 . . . . A 79 ASN HB3 . 11604 1 995 . 1 . 1 82 82 ASN HD21 H 1 7.556 0.040 . 2 . . . . A 79 ASN HD21 . 11604 1 996 . 1 . 1 82 82 ASN HD22 H 1 6.877 0.040 . 2 . . . . A 79 ASN HD22 . 11604 1 997 . 1 . 1 82 82 ASN C C 13 174.060 0.450 . 1 . . . . A 79 ASN C . 11604 1 998 . 1 . 1 82 82 ASN CA C 13 53.087 0.450 . 1 . . . . A 79 ASN CA . 11604 1 999 . 1 . 1 82 82 ASN CB C 13 38.645 0.450 . 1 . . . . A 79 ASN CB . 11604 1 1000 . 1 . 1 82 82 ASN CG C 13 177.267 0.450 . 1 . . . . A 79 ASN CG . 11604 1 1001 . 1 . 1 82 82 ASN N N 15 119.284 0.450 . 1 . . . . A 79 ASN N . 11604 1 1002 . 1 . 1 82 82 ASN ND2 N 15 112.950 0.450 . 1 . . . . A 79 ASN ND2 . 11604 1 1003 . 1 . 1 83 83 LYS H H 1 7.815 0.040 . 1 . . . . A 80 LYS H . 11604 1 1004 . 1 . 1 83 83 LYS HA H 1 4.112 0.040 . 1 . . . . A 80 LYS HA . 11604 1 1005 . 1 . 1 83 83 LYS HB2 H 1 1.786 0.040 . 2 . . . . A 80 LYS HB2 . 11604 1 1006 . 1 . 1 83 83 LYS HB3 H 1 1.677 0.040 . 2 . . . . A 80 LYS HB3 . 11604 1 1007 . 1 . 1 83 83 LYS HG2 H 1 1.372 0.040 . 2 . . . . A 80 LYS HG2 . 11604 1 1008 . 1 . 1 83 83 LYS HG3 H 1 1.372 0.040 . 2 . . . . A 80 LYS HG3 . 11604 1 1009 . 1 . 1 83 83 LYS HD2 H 1 1.617 0.040 . 2 . . . . A 80 LYS HD2 . 11604 1 1010 . 1 . 1 83 83 LYS HD3 H 1 1.617 0.040 . 2 . . . . A 80 LYS HD3 . 11604 1 1011 . 1 . 1 83 83 LYS HE2 H 1 2.958 0.040 . 2 . . . . A 80 LYS HE2 . 11604 1 1012 . 1 . 1 83 83 LYS HE3 H 1 2.958 0.040 . 2 . . . . A 80 LYS HE3 . 11604 1 1013 . 1 . 1 83 83 LYS C C 13 181.253 0.450 . 1 . . . . A 80 LYS C . 11604 1 1014 . 1 . 1 83 83 LYS CA C 13 57.586 0.450 . 1 . . . . A 80 LYS CA . 11604 1 1015 . 1 . 1 83 83 LYS CB C 13 33.572 0.450 . 1 . . . . A 80 LYS CB . 11604 1 1016 . 1 . 1 83 83 LYS CG C 13 24.766 0.450 . 1 . . . . A 80 LYS CG . 11604 1 1017 . 1 . 1 83 83 LYS CD C 13 28.978 0.450 . 1 . . . . A 80 LYS CD . 11604 1 1018 . 1 . 1 83 83 LYS CE C 13 41.750 0.450 . 1 . . . . A 80 LYS CE . 11604 1 1019 . 1 . 1 83 83 LYS N N 15 126.217 0.450 . 1 . . . . A 80 LYS N . 11604 1 stop_ save_