data_25693 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25693 _Entry.Title ; Solution structure of a disulfide stabilized XCL1 dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-07 _Entry.Accession_date 2015-07-07 _Entry.Last_release_date 2015-10-05 _Entry.Original_release_date 2015-10-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Robert Tyler . C. . . 25693 2 Robbyn Tuinstra . L. . . 25693 3 Francis Peterson . F. . . 25693 4 Brian Volkman . F. . . 25693 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' . 25693 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ATAC . 25693 Chemokine . 25693 GAG-binding . 25693 'HIV-1 inhibition' . 25693 Lymphotactin . 25693 NMR . 25693 XCL1 . 25693 dimer . 25693 metamorphic . 25693 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25693 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 25693 '15N chemical shifts' 62 25693 '1H chemical shifts' 397 25693 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 . . 2016-08-12 2015-07-07 update BMRB 'update entry citation' 25693 1 . . 2015-10-05 2015-07-07 original author 'original release' 25693 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N54 'BMRB Entry Tracking System' 25693 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25693 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26302421 _Citation.Full_citation . _Citation.Title ; Engineering Metamorphic Chemokine Lymphotactin/XCL1 into the GAG-Binding, HIV-Inhibitory Dimer Conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2580 _Citation.Page_last 2588 _Citation.Year 2015 _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 Jamie Fox . C. . . 25693 1 2 Robert Tyler . C. . . 25693 1 3 Christina Guzzo . . . . 25693 1 4 Robbyn Tuinstra . L. . . 25693 1 5 Francis Peterson . C. . . 25693 1 6 Paolo Lusso . . . . 25693 1 7 Brian Volkman . F. . . 25693 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25693 _Assembly.ID 1 _Assembly.Name xcL1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic 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 1 $XCL1 A . yes native no no . . . 25693 1 2 entity_2 1 $XCL1 B . yes native no no . . . 25693 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XCL1 _Entity.Sf_category entity _Entity.Sf_framecode XCL1 _Entity.Entry_ID 25693 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XCL1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VGSEVSDKRTCVSLTTQRLP VSRIKTYTITEGSLRCVIFI TKRGLKVCCDPQATWVRDVV RSMDRKSNTRNNMIQTKPTG TQQSTNTAVTLTG ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'A36C and A49C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10271.7 _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 VAL . 25693 1 2 2 GLY . 25693 1 3 3 SER . 25693 1 4 4 GLU . 25693 1 5 5 VAL . 25693 1 6 6 SER . 25693 1 7 7 ASP . 25693 1 8 8 LYS . 25693 1 9 9 ARG . 25693 1 10 10 THR . 25693 1 11 11 CYS . 25693 1 12 12 VAL . 25693 1 13 13 SER . 25693 1 14 14 LEU . 25693 1 15 15 THR . 25693 1 16 16 THR . 25693 1 17 17 GLN . 25693 1 18 18 ARG . 25693 1 19 19 LEU . 25693 1 20 20 PRO . 25693 1 21 21 VAL . 25693 1 22 22 SER . 25693 1 23 23 ARG . 25693 1 24 24 ILE . 25693 1 25 25 LYS . 25693 1 26 26 THR . 25693 1 27 27 TYR . 25693 1 28 28 THR . 25693 1 29 29 ILE . 25693 1 30 30 THR . 25693 1 31 31 GLU . 25693 1 32 32 GLY . 25693 1 33 33 SER . 25693 1 34 34 LEU . 25693 1 35 35 ARG . 25693 1 36 36 CYS . 25693 1 37 37 VAL . 25693 1 38 38 ILE . 25693 1 39 39 PHE . 25693 1 40 40 ILE . 25693 1 41 41 THR . 25693 1 42 42 LYS . 25693 1 43 43 ARG . 25693 1 44 44 GLY . 25693 1 45 45 LEU . 25693 1 46 46 LYS . 25693 1 47 47 VAL . 25693 1 48 48 CYS . 25693 1 49 49 CYS . 25693 1 50 50 ASP . 25693 1 51 51 PRO . 25693 1 52 52 GLN . 25693 1 53 53 ALA . 25693 1 54 54 THR . 25693 1 55 55 TRP . 25693 1 56 56 VAL . 25693 1 57 57 ARG . 25693 1 58 58 ASP . 25693 1 59 59 VAL . 25693 1 60 60 VAL . 25693 1 61 61 ARG . 25693 1 62 62 SER . 25693 1 63 63 MET . 25693 1 64 64 ASP . 25693 1 65 65 ARG . 25693 1 66 66 LYS . 25693 1 67 67 SER . 25693 1 68 68 ASN . 25693 1 69 69 THR . 25693 1 70 70 ARG . 25693 1 71 71 ASN . 25693 1 72 72 ASN . 25693 1 73 73 MET . 25693 1 74 74 ILE . 25693 1 75 75 GLN . 25693 1 76 76 THR . 25693 1 77 77 LYS . 25693 1 78 78 PRO . 25693 1 79 79 THR . 25693 1 80 80 GLY . 25693 1 81 81 THR . 25693 1 82 82 GLN . 25693 1 83 83 GLN . 25693 1 84 84 SER . 25693 1 85 85 THR . 25693 1 86 86 ASN . 25693 1 87 87 THR . 25693 1 88 88 ALA . 25693 1 89 89 VAL . 25693 1 90 90 THR . 25693 1 91 91 LEU . 25693 1 92 92 THR . 25693 1 93 93 GLY . 25693 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 . VAL 1 1 25693 1 . GLY 2 2 25693 1 . SER 3 3 25693 1 . GLU 4 4 25693 1 . VAL 5 5 25693 1 . SER 6 6 25693 1 . ASP 7 7 25693 1 . LYS 8 8 25693 1 . ARG 9 9 25693 1 . THR 10 10 25693 1 . CYS 11 11 25693 1 . VAL 12 12 25693 1 . SER 13 13 25693 1 . LEU 14 14 25693 1 . THR 15 15 25693 1 . THR 16 16 25693 1 . GLN 17 17 25693 1 . ARG 18 18 25693 1 . LEU 19 19 25693 1 . PRO 20 20 25693 1 . VAL 21 21 25693 1 . SER 22 22 25693 1 . ARG 23 23 25693 1 . ILE 24 24 25693 1 . LYS 25 25 25693 1 . THR 26 26 25693 1 . TYR 27 27 25693 1 . THR 28 28 25693 1 . ILE 29 29 25693 1 . THR 30 30 25693 1 . GLU 31 31 25693 1 . GLY 32 32 25693 1 . SER 33 33 25693 1 . LEU 34 34 25693 1 . ARG 35 35 25693 1 . CYS 36 36 25693 1 . VAL 37 37 25693 1 . ILE 38 38 25693 1 . PHE 39 39 25693 1 . ILE 40 40 25693 1 . THR 41 41 25693 1 . LYS 42 42 25693 1 . ARG 43 43 25693 1 . GLY 44 44 25693 1 . LEU 45 45 25693 1 . LYS 46 46 25693 1 . VAL 47 47 25693 1 . CYS 48 48 25693 1 . CYS 49 49 25693 1 . ASP 50 50 25693 1 . PRO 51 51 25693 1 . GLN 52 52 25693 1 . ALA 53 53 25693 1 . THR 54 54 25693 1 . TRP 55 55 25693 1 . VAL 56 56 25693 1 . ARG 57 57 25693 1 . ASP 58 58 25693 1 . VAL 59 59 25693 1 . VAL 60 60 25693 1 . ARG 61 61 25693 1 . SER 62 62 25693 1 . MET 63 63 25693 1 . ASP 64 64 25693 1 . ARG 65 65 25693 1 . LYS 66 66 25693 1 . SER 67 67 25693 1 . ASN 68 68 25693 1 . THR 69 69 25693 1 . ARG 70 70 25693 1 . ASN 71 71 25693 1 . ASN 72 72 25693 1 . MET 73 73 25693 1 . ILE 74 74 25693 1 . GLN 75 75 25693 1 . THR 76 76 25693 1 . LYS 77 77 25693 1 . PRO 78 78 25693 1 . THR 79 79 25693 1 . GLY 80 80 25693 1 . THR 81 81 25693 1 . GLN 82 82 25693 1 . GLN 83 83 25693 1 . SER 84 84 25693 1 . THR 85 85 25693 1 . ASN 86 86 25693 1 . THR 87 87 25693 1 . ALA 88 88 25693 1 . VAL 89 89 25693 1 . THR 90 90 25693 1 . LEU 91 91 25693 1 . THR 92 92 25693 1 . GLY 93 93 25693 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 25693 _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 $XCL1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25693 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 25693 _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 $XCL1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE30 . . . 25693 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25693 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XCL1 '[U-99% 13C; U-99% 15N]' . . 1 $XCL1 . . 1 . . mM . . . . 25693 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25693 1 3 'sodium azide' '[U-100% 15N]' . . . . . . 0.02 . . % . . . . 25693 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25693 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25693 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25693 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 25693 1 pH 6.0 . pH 25693 1 pressure 1 . atm 25693 1 temperature 313 . K 25693 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25693 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25693 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25693 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25693 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25693 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25693 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25693 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25693 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25693 3 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 25693 _Software.ID 4 _Software.Name GARANT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 25693 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25693 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25693 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25693 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25693 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25693 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25693 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25693 6 'structure solution' 25693 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25693 _Software.ID 7 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25693 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25693 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25693 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 25693 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 25693 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 25693 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25693 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25693 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25693 1 4 '3D F1-13C/F3-13C edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25693 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 25693 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 25693 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25693 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25693 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 25693 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 25693 1 2 '3D 1H-13C NOESY aromatic' . . . 25693 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 5.000 0.02 . 1 . . . . 1 VAL HA . 25693 1 2 . 1 1 2 2 GLY C C 13 176.333 0.1 . 1 . . . . 2 GLY C . 25693 1 3 . 1 1 2 2 GLY CA C 13 52.881 0.1 . 1 . . . . 2 GLY CA . 25693 1 4 . 1 1 3 3 SER H H 1 8.031 0.02 . 1 . . . . 3 SER H . 25693 1 5 . 1 1 3 3 SER C C 13 171.619 0.1 . 1 . . . . 3 SER C . 25693 1 6 . 1 1 3 3 SER CA C 13 62.684 0.1 . 1 . . . . 3 SER CA . 25693 1 7 . 1 1 3 3 SER CB C 13 62.684 0.1 . 1 . . . . 3 SER CB . 25693 1 8 . 1 1 3 3 SER N N 15 119.606 0.1 . 1 . . . . 3 SER N . 25693 1 9 . 1 1 4 4 GLU H H 1 7.979 0.02 . 1 . . . . 4 GLU H . 25693 1 10 . 1 1 4 4 GLU C C 13 178.452 0.1 . 1 . . . . 4 GLU C . 25693 1 11 . 1 1 4 4 GLU CA C 13 57.387 0.1 . 1 . . . . 4 GLU CA . 25693 1 12 . 1 1 4 4 GLU CB C 13 30.575 0.1 . 1 . . . . 4 GLU CB . 25693 1 13 . 1 1 4 4 GLU CG C 13 36.691 0.1 . 1 . . . . 4 GLU CG . 25693 1 14 . 1 1 4 4 GLU N N 15 122.937 0.1 . 1 . . . . 4 GLU N . 25693 1 15 . 1 1 5 5 VAL H H 1 8.185 0.02 . 1 . . . . 5 VAL H . 25693 1 16 . 1 1 5 5 VAL HA H 1 4.269 0.02 . 1 . . . . 5 VAL HA . 25693 1 17 . 1 1 5 5 VAL HB H 1 2.209 0.02 . 1 . . . . 5 VAL HB . 25693 1 18 . 1 1 5 5 VAL HG11 H 1 1.020 0.02 . 1 . . . . 5 VAL QG1 . 25693 1 19 . 1 1 5 5 VAL HG12 H 1 1.020 0.02 . 1 . . . . 5 VAL QG1 . 25693 1 20 . 1 1 5 5 VAL HG13 H 1 1.020 0.02 . 1 . . . . 5 VAL QG1 . 25693 1 21 . 1 1 5 5 VAL CA C 13 62.840 0.1 . 1 . . . . 5 VAL CA . 25693 1 22 . 1 1 5 5 VAL CB C 13 33.194 0.1 . 1 . . . . 5 VAL CB . 25693 1 23 . 1 1 5 5 VAL CG1 C 13 21.376 0.1 . 1 . . . . 5 VAL CG1 . 25693 1 24 . 1 1 5 5 VAL CG2 C 13 33.118 0.1 . 1 . . . . 5 VAL CG2 . 25693 1 25 . 1 1 5 5 VAL N N 15 120.522 0.1 . 1 . . . . 5 VAL N . 25693 1 26 . 1 1 6 6 SER H H 1 8.340 0.02 . 1 . . . . 6 SER H . 25693 1 27 . 1 1 6 6 SER HA H 1 4.560 0.02 . 1 . . . . 6 SER HA . 25693 1 28 . 1 1 6 6 SER HB2 H 1 3.959 0.02 . 1 . . . . 6 SER HB2 . 25693 1 29 . 1 1 6 6 SER HB3 H 1 3.959 0.02 . 1 . . . . 6 SER HB3 . 25693 1 30 . 1 1 6 6 SER CA C 13 58.826 0.1 . 1 . . . . 6 SER CA . 25693 1 31 . 1 1 6 6 SER CB C 13 64.865 0.1 . 1 . . . . 6 SER CB . 25693 1 32 . 1 1 6 6 SER N N 15 119.109 0.1 . 1 . . . . 6 SER N . 25693 1 33 . 1 1 7 7 ASP H H 1 8.347 0.02 . 1 . . . . 7 ASP H . 25693 1 34 . 1 1 7 7 ASP HA H 1 4.706 0.02 . 1 . . . . 7 ASP HA . 25693 1 35 . 1 1 7 7 ASP HB2 H 1 2.756 0.02 . 1 . . . . 7 ASP HB2 . 25693 1 36 . 1 1 7 7 ASP HB3 H 1 2.756 0.02 . 1 . . . . 7 ASP HB3 . 25693 1 37 . 1 1 7 7 ASP C C 13 177.572 0.1 . 1 . . . . 7 ASP C . 25693 1 38 . 1 1 7 7 ASP CA C 13 54.936 0.1 . 1 . . . . 7 ASP CA . 25693 1 39 . 1 1 7 7 ASP CB C 13 41.984 0.1 . 1 . . . . 7 ASP CB . 25693 1 40 . 1 1 7 7 ASP N N 15 122.786 0.1 . 1 . . . . 7 ASP N . 25693 1 41 . 1 1 8 8 LYS H H 1 8.060 0.02 . 1 . . . . 8 LYS H . 25693 1 42 . 1 1 8 8 LYS HA H 1 4.407 0.02 . 1 . . . . 8 LYS HA . 25693 1 43 . 1 1 8 8 LYS HB2 H 1 1.982 0.02 . 2 . . . . 8 LYS HB2 . 25693 1 44 . 1 1 8 8 LYS HB3 H 1 1.877 0.02 . 2 . . . . 8 LYS HB3 . 25693 1 45 . 1 1 8 8 LYS HE2 H 1 3.303 0.02 . 1 . . . . 8 LYS HE2 . 25693 1 46 . 1 1 8 8 LYS HE3 H 1 3.303 0.02 . 1 . . . . 8 LYS HE3 . 25693 1 47 . 1 1 8 8 LYS C C 13 178.323 0.1 . 1 . . . . 8 LYS C . 25693 1 48 . 1 1 8 8 LYS CA C 13 56.844 0.1 . 1 . . . . 8 LYS CA . 25693 1 49 . 1 1 8 8 LYS CB C 13 31.076 0.1 . 1 . . . . 8 LYS CB . 25693 1 50 . 1 1 8 8 LYS CD C 13 26.609 0.1 . 1 . . . . 8 LYS CD . 25693 1 51 . 1 1 8 8 LYS CE C 13 43.583 0.1 . 1 . . . . 8 LYS CE . 25693 1 52 . 1 1 8 8 LYS N N 15 119.939 0.1 . 1 . . . . 8 LYS N . 25693 1 53 . 1 1 9 9 ARG H H 1 8.352 0.02 . 1 . . . . 9 ARG H . 25693 1 54 . 1 1 9 9 ARG HA H 1 4.469 0.02 . 1 . . . . 9 ARG HA . 25693 1 55 . 1 1 9 9 ARG HB2 H 1 1.935 0.02 . 1 . . . . 9 ARG HB2 . 25693 1 56 . 1 1 9 9 ARG HB3 H 1 1.935 0.02 . 1 . . . . 9 ARG HB3 . 25693 1 57 . 1 1 9 9 ARG HD2 H 1 3.292 0.02 . 1 . . . . 9 ARG HD2 . 25693 1 58 . 1 1 9 9 ARG HD3 H 1 3.292 0.02 . 1 . . . . 9 ARG HD3 . 25693 1 59 . 1 1 9 9 ARG C C 13 178.148 0.1 . 1 . . . . 9 ARG C . 25693 1 60 . 1 1 9 9 ARG CA C 13 56.779 0.1 . 1 . . . . 9 ARG CA . 25693 1 61 . 1 1 9 9 ARG CB C 13 31.062 0.1 . 1 . . . . 9 ARG CB . 25693 1 62 . 1 1 9 9 ARG CG C 13 25.031 0.1 . 1 . . . . 9 ARG CG . 25693 1 63 . 1 1 9 9 ARG CD C 13 43.829 0.1 . 1 . . . . 9 ARG CD . 25693 1 64 . 1 1 9 9 ARG N N 15 121.813 0.1 . 1 . . . . 9 ARG N . 25693 1 65 . 1 1 10 10 THR H H 1 8.263 0.02 . 1 . . . . 10 THR H . 25693 1 66 . 1 1 10 10 THR HA H 1 4.487 0.02 . 1 . . . . 10 THR HA . 25693 1 67 . 1 1 10 10 THR HB H 1 4.141 0.02 . 1 . . . . 10 THR HB . 25693 1 68 . 1 1 10 10 THR HG21 H 1 2.150 0.02 . 1 . . . . 10 THR QG2 . 25693 1 69 . 1 1 10 10 THR HG22 H 1 2.150 0.02 . 1 . . . . 10 THR QG2 . 25693 1 70 . 1 1 10 10 THR HG23 H 1 2.150 0.02 . 1 . . . . 10 THR QG2 . 25693 1 71 . 1 1 10 10 THR CA C 13 59.286 0.1 . 1 . . . . 10 THR CA . 25693 1 72 . 1 1 10 10 THR CB C 13 64.412 0.1 . 1 . . . . 10 THR CB . 25693 1 73 . 1 1 10 10 THR CG2 C 13 21.150 0.1 . 1 . . . . 10 THR CG2 . 25693 1 74 . 1 1 10 10 THR N N 15 116.680 0.1 . 1 . . . . 10 THR N . 25693 1 75 . 1 1 11 11 CYS H H 1 8.166 0.02 . 1 . . . . 11 CYS H . 25693 1 76 . 1 1 11 11 CYS HA H 1 6.292 0.02 . 1 . . . . 11 CYS HA . 25693 1 77 . 1 1 11 11 CYS HB2 H 1 3.230 0.02 . 2 . . . . 11 CYS HB2 . 25693 1 78 . 1 1 11 11 CYS HB3 H 1 2.847 0.02 . 2 . . . . 11 CYS HB3 . 25693 1 79 . 1 1 11 11 CYS C C 13 169.873 0.1 . 1 . . . . 11 CYS C . 25693 1 80 . 1 1 11 11 CYS CA C 13 55.610 0.1 . 1 . . . . 11 CYS CA . 25693 1 81 . 1 1 11 11 CYS CB C 13 44.241 0.1 . 1 . . . . 11 CYS CB . 25693 1 82 . 1 1 11 11 CYS N N 15 124.443 0.1 . 1 . . . . 11 CYS N . 25693 1 83 . 1 1 12 12 VAL H H 1 9.190 0.02 . 1 . . . . 12 VAL H . 25693 1 84 . 1 1 12 12 VAL HA H 1 4.713 0.02 . 1 . . . . 12 VAL HA . 25693 1 85 . 1 1 12 12 VAL HB H 1 2.157 0.02 . 1 . . . . 12 VAL HB . 25693 1 86 . 1 1 12 12 VAL HG21 H 1 1.016 0.02 . 1 . . . . 12 VAL QG2 . 25693 1 87 . 1 1 12 12 VAL HG22 H 1 1.016 0.02 . 1 . . . . 12 VAL QG2 . 25693 1 88 . 1 1 12 12 VAL HG23 H 1 1.016 0.02 . 1 . . . . 12 VAL QG2 . 25693 1 89 . 1 1 12 12 VAL CA C 13 60.970 0.1 . 1 . . . . 12 VAL CA . 25693 1 90 . 1 1 12 12 VAL CB C 13 35.720 0.1 . 1 . . . . 12 VAL CB . 25693 1 91 . 1 1 12 12 VAL CG2 C 13 21.159 0.1 . 1 . . . . 12 VAL CG2 . 25693 1 92 . 1 1 12 12 VAL N N 15 118.379 0.1 . 1 . . . . 12 VAL N . 25693 1 93 . 1 1 13 13 SER H H 1 8.477 0.02 . 1 . . . . 13 SER H . 25693 1 94 . 1 1 13 13 SER HA H 1 5.457 0.02 . 1 . . . . 13 SER HA . 25693 1 95 . 1 1 13 13 SER HB2 H 1 3.813 0.02 . 1 . . . . 13 SER HB2 . 25693 1 96 . 1 1 13 13 SER HB3 H 1 3.813 0.02 . 1 . . . . 13 SER HB3 . 25693 1 97 . 1 1 13 13 SER CA C 13 57.815 0.1 . 1 . . . . 13 SER CA . 25693 1 98 . 1 1 13 13 SER CB C 13 66.744 0.1 . 1 . . . . 13 SER CB . 25693 1 99 . 1 1 13 13 SER N N 15 118.231 0.1 . 1 . . . . 13 SER N . 25693 1 100 . 1 1 14 14 LEU H H 1 9.031 0.02 . 1 . . . . 14 LEU H . 25693 1 101 . 1 1 14 14 LEU HA H 1 4.816 0.02 . 1 . . . . 14 LEU HA . 25693 1 102 . 1 1 14 14 LEU HB2 H 1 1.810 0.02 . 2 . . . . 14 LEU HB2 . 25693 1 103 . 1 1 14 14 LEU HB3 H 1 1.471 0.02 . 2 . . . . 14 LEU HB3 . 25693 1 104 . 1 1 14 14 LEU HG H 1 1.623 0.02 . 1 . . . . 14 LEU HG . 25693 1 105 . 1 1 14 14 LEU HD11 H 1 0.917 0.02 . 1 . . . . 14 LEU QD1 . 25693 1 106 . 1 1 14 14 LEU HD12 H 1 0.917 0.02 . 1 . . . . 14 LEU QD1 . 25693 1 107 . 1 1 14 14 LEU HD13 H 1 0.917 0.02 . 1 . . . . 14 LEU QD1 . 25693 1 108 . 1 1 14 14 LEU C C 13 176.497 0.1 . 1 . . . . 14 LEU C . 25693 1 109 . 1 1 14 14 LEU CA C 13 55.068 0.1 . 1 . . . . 14 LEU CA . 25693 1 110 . 1 1 14 14 LEU CB C 13 45.750 0.1 . 1 . . . . 14 LEU CB . 25693 1 111 . 1 1 14 14 LEU CG C 13 28.278 0.1 . 1 . . . . 14 LEU CG . 25693 1 112 . 1 1 14 14 LEU CD1 C 13 26.098 0.1 . 1 . . . . 14 LEU CD1 . 25693 1 113 . 1 1 14 14 LEU CD2 C 13 26.098 0.1 . 1 . . . . 14 LEU CD2 . 25693 1 114 . 1 1 14 14 LEU N N 15 125.590 0.1 . 1 . . . . 14 LEU N . 25693 1 115 . 1 1 15 15 THR H H 1 8.684 0.02 . 1 . . . . 15 THR H . 25693 1 116 . 1 1 15 15 THR HA H 1 4.870 0.02 . 1 . . . . 15 THR HA . 25693 1 117 . 1 1 15 15 THR HB H 1 4.342 0.02 . 1 . . . . 15 THR HB . 25693 1 118 . 1 1 15 15 THR HG21 H 1 1.345 0.02 . 1 . . . . 15 THR QG2 . 25693 1 119 . 1 1 15 15 THR HG22 H 1 1.345 0.02 . 1 . . . . 15 THR QG2 . 25693 1 120 . 1 1 15 15 THR HG23 H 1 1.345 0.02 . 1 . . . . 15 THR QG2 . 25693 1 121 . 1 1 15 15 THR C C 13 171.445 0.1 . 1 . . . . 15 THR C . 25693 1 122 . 1 1 15 15 THR CA C 13 62.607 0.1 . 1 . . . . 15 THR CA . 25693 1 123 . 1 1 15 15 THR CB C 13 70.127 0.1 . 1 . . . . 15 THR CB . 25693 1 124 . 1 1 15 15 THR CG2 C 13 22.014 0.1 . 1 . . . . 15 THR CG2 . 25693 1 125 . 1 1 15 15 THR N N 15 121.083 0.1 . 1 . . . . 15 THR N . 25693 1 126 . 1 1 16 16 THR H H 1 8.114 0.02 . 1 . . . . 16 THR H . 25693 1 127 . 1 1 16 16 THR HA H 1 4.724 0.02 . 1 . . . . 16 THR HA . 25693 1 128 . 1 1 16 16 THR HB H 1 4.471 0.02 . 1 . . . . 16 THR HB . 25693 1 129 . 1 1 16 16 THR HG21 H 1 1.161 0.02 . 1 . . . . 16 THR QG2 . 25693 1 130 . 1 1 16 16 THR HG22 H 1 1.161 0.02 . 1 . . . . 16 THR QG2 . 25693 1 131 . 1 1 16 16 THR HG23 H 1 1.161 0.02 . 1 . . . . 16 THR QG2 . 25693 1 132 . 1 1 16 16 THR CA C 13 61.091 0.1 . 1 . . . . 16 THR CA . 25693 1 133 . 1 1 16 16 THR CB C 13 71.260 0.1 . 1 . . . . 16 THR CB . 25693 1 134 . 1 1 16 16 THR N N 15 117.142 0.1 . 1 . . . . 16 THR N . 25693 1 135 . 1 1 17 17 GLN H H 1 8.260 0.02 . 1 . . . . 17 GLN H . 25693 1 136 . 1 1 17 17 GLN HA H 1 4.497 0.02 . 1 . . . . 17 GLN HA . 25693 1 137 . 1 1 17 17 GLN HB2 H 1 2.251 0.02 . 2 . . . . 17 GLN HB2 . 25693 1 138 . 1 1 17 17 GLN HB3 H 1 2.040 0.02 . 2 . . . . 17 GLN HB3 . 25693 1 139 . 1 1 17 17 GLN CA C 13 56.561 0.1 . 1 . . . . 17 GLN CA . 25693 1 140 . 1 1 17 17 GLN CB C 13 29.844 0.1 . 1 . . . . 17 GLN CB . 25693 1 141 . 1 1 17 17 GLN CG C 13 34.491 0.1 . 1 . . . . 17 GLN CG . 25693 1 142 . 1 1 17 17 GLN N N 15 119.423 0.1 . 1 . . . . 17 GLN N . 25693 1 143 . 1 1 18 18 ARG H H 1 8.190 0.02 . 1 . . . . 18 ARG H . 25693 1 144 . 1 1 18 18 ARG HA H 1 4.507 0.02 . 1 . . . . 18 ARG HA . 25693 1 145 . 1 1 18 18 ARG HB2 H 1 1.892 0.02 . 1 . . . . 18 ARG HB2 . 25693 1 146 . 1 1 18 18 ARG HB3 H 1 1.892 0.02 . 1 . . . . 18 ARG HB3 . 25693 1 147 . 1 1 18 18 ARG HD2 H 1 3.292 0.02 . 1 . . . . 18 ARG HD2 . 25693 1 148 . 1 1 18 18 ARG HD3 H 1 3.292 0.02 . 1 . . . . 18 ARG HD3 . 25693 1 149 . 1 1 18 18 ARG C C 13 177.434 0.1 . 1 . . . . 18 ARG C . 25693 1 150 . 1 1 18 18 ARG CA C 13 57.111 0.1 . 1 . . . . 18 ARG CA . 25693 1 151 . 1 1 18 18 ARG CB C 13 30.895 0.1 . 1 . . . . 18 ARG CB . 25693 1 152 . 1 1 18 18 ARG CG C 13 30.948 0.1 . 1 . . . . 18 ARG CG . 25693 1 153 . 1 1 18 18 ARG CD C 13 44.094 0.1 . 1 . . . . 18 ARG CD . 25693 1 154 . 1 1 18 18 ARG N N 15 119.630 0.1 . 1 . . . . 18 ARG N . 25693 1 155 . 1 1 19 19 LEU H H 1 8.674 0.02 . 1 . . . . 19 LEU H . 25693 1 156 . 1 1 19 19 LEU CA C 13 52.241 0.1 . 1 . . . . 19 LEU CA . 25693 1 157 . 1 1 19 19 LEU CB C 13 43.403 0.1 . 1 . . . . 19 LEU CB . 25693 1 158 . 1 1 19 19 LEU N N 15 125.797 0.1 . 1 . . . . 19 LEU N . 25693 1 159 . 1 1 20 20 PRO HA H 1 4.788 0.02 . 1 . . . . 20 PRO HA . 25693 1 160 . 1 1 20 20 PRO HB2 H 1 2.379 0.02 . 2 . . . . 20 PRO HB2 . 25693 1 161 . 1 1 20 20 PRO HB3 H 1 1.994 0.02 . 2 . . . . 20 PRO HB3 . 25693 1 162 . 1 1 20 20 PRO HD2 H 1 3.855 0.02 . 2 . . . . 20 PRO HD2 . 25693 1 163 . 1 1 20 20 PRO HD3 H 1 3.610 0.02 . 2 . . . . 20 PRO HD3 . 25693 1 164 . 1 1 20 20 PRO C C 13 177.352 0.1 . 1 . . . . 20 PRO C . 25693 1 165 . 1 1 20 20 PRO CA C 13 63.146 0.1 . 1 . . . . 20 PRO CA . 25693 1 166 . 1 1 20 20 PRO CB C 13 29.492 0.1 . 1 . . . . 20 PRO CB . 25693 1 167 . 1 1 20 20 PRO CG C 13 28.100 0.1 . 1 . . . . 20 PRO CG . 25693 1 168 . 1 1 20 20 PRO CD C 13 50.604 0.1 . 1 . . . . 20 PRO CD . 25693 1 169 . 1 1 21 21 VAL H H 1 7.850 0.02 . 1 . . . . 21 VAL H . 25693 1 170 . 1 1 21 21 VAL HA H 1 4.138 0.02 . 1 . . . . 21 VAL HA . 25693 1 171 . 1 1 21 21 VAL HB H 1 3.758 0.02 . 1 . . . . 21 VAL HB . 25693 1 172 . 1 1 21 21 VAL HG11 H 1 0.784 0.02 . 1 . . . . 21 VAL QG1 . 25693 1 173 . 1 1 21 21 VAL HG12 H 1 0.784 0.02 . 1 . . . . 21 VAL QG1 . 25693 1 174 . 1 1 21 21 VAL HG13 H 1 0.784 0.02 . 1 . . . . 21 VAL QG1 . 25693 1 175 . 1 1 21 21 VAL CA C 13 61.308 0.1 . 1 . . . . 21 VAL CA . 25693 1 176 . 1 1 21 21 VAL CB C 13 34.628 0.1 . 1 . . . . 21 VAL CB . 25693 1 177 . 1 1 21 21 VAL CG1 C 13 20.189 0.1 . 1 . . . . 21 VAL CG1 . 25693 1 178 . 1 1 21 21 VAL N N 15 119.308 0.1 . 1 . . . . 21 VAL N . 25693 1 179 . 1 1 22 22 SER H H 1 8.671 0.02 . 1 . . . . 22 SER H . 25693 1 180 . 1 1 22 22 SER HA H 1 4.589 0.02 . 1 . . . . 22 SER HA . 25693 1 181 . 1 1 22 22 SER HB2 H 1 4.004 0.02 . 1 . . . . 22 SER HB2 . 25693 1 182 . 1 1 22 22 SER HB3 H 1 4.004 0.02 . 1 . . . . 22 SER HB3 . 25693 1 183 . 1 1 22 22 SER C C 13 170.922 0.1 . 1 . . . . 22 SER C . 25693 1 184 . 1 1 22 22 SER CA C 13 59.316 0.1 . 1 . . . . 22 SER CA . 25693 1 185 . 1 1 22 22 SER CB C 13 64.576 0.1 . 1 . . . . 22 SER CB . 25693 1 186 . 1 1 22 22 SER N N 15 121.709 0.1 . 1 . . . . 22 SER N . 25693 1 187 . 1 1 23 23 ARG H H 1 7.828 0.02 . 1 . . . . 23 ARG H . 25693 1 188 . 1 1 23 23 ARG HA H 1 4.579 0.02 . 1 . . . . 23 ARG HA . 25693 1 189 . 1 1 23 23 ARG HB2 H 1 2.025 0.02 . 2 . . . . 23 ARG HB2 . 25693 1 190 . 1 1 23 23 ARG HB3 H 1 1.882 0.02 . 2 . . . . 23 ARG HB3 . 25693 1 191 . 1 1 23 23 ARG HG2 H 1 1.675 0.02 . 1 . . . . 23 ARG HG2 . 25693 1 192 . 1 1 23 23 ARG HG3 H 1 1.675 0.02 . 1 . . . . 23 ARG HG3 . 25693 1 193 . 1 1 23 23 ARG HD2 H 1 3.292 0.02 . 1 . . . . 23 ARG HD2 . 25693 1 194 . 1 1 23 23 ARG HD3 H 1 3.292 0.02 . 1 . . . . 23 ARG HD3 . 25693 1 195 . 1 1 23 23 ARG C C 13 171.215 0.1 . 1 . . . . 23 ARG C . 25693 1 196 . 1 1 23 23 ARG CA C 13 55.396 0.1 . 1 . . . . 23 ARG CA . 25693 1 197 . 1 1 23 23 ARG CB C 13 32.391 0.1 . 1 . . . . 23 ARG CB . 25693 1 198 . 1 1 23 23 ARG CG C 13 32.265 0.1 . 1 . . . . 23 ARG CG . 25693 1 199 . 1 1 23 23 ARG CD C 13 43.966 0.1 . 1 . . . . 23 ARG CD . 25693 1 200 . 1 1 23 23 ARG N N 15 120.473 0.1 . 1 . . . . 23 ARG N . 25693 1 201 . 1 1 24 24 ILE H H 1 8.085 0.02 . 1 . . . . 24 ILE H . 25693 1 202 . 1 1 24 24 ILE HA H 1 4.435 0.02 . 1 . . . . 24 ILE HA . 25693 1 203 . 1 1 24 24 ILE HB H 1 1.883 0.02 . 1 . . . . 24 ILE HB . 25693 1 204 . 1 1 24 24 ILE HG12 H 1 1.741 0.02 . 2 . . . . 24 ILE HG12 . 25693 1 205 . 1 1 24 24 ILE HG13 H 1 1.179 0.02 . 2 . . . . 24 ILE HG13 . 25693 1 206 . 1 1 24 24 ILE HG21 H 1 1.015 0.02 . 1 . . . . 24 ILE QG2 . 25693 1 207 . 1 1 24 24 ILE HG22 H 1 1.015 0.02 . 1 . . . . 24 ILE QG2 . 25693 1 208 . 1 1 24 24 ILE HG23 H 1 1.015 0.02 . 1 . . . . 24 ILE QG2 . 25693 1 209 . 1 1 24 24 ILE HD11 H 1 0.967 0.02 . 1 . . . . 24 ILE QD1 . 25693 1 210 . 1 1 24 24 ILE HD12 H 1 0.967 0.02 . 1 . . . . 24 ILE QD1 . 25693 1 211 . 1 1 24 24 ILE HD13 H 1 0.967 0.02 . 1 . . . . 24 ILE QD1 . 25693 1 212 . 1 1 24 24 ILE C C 13 176.100 0.1 . 1 . . . . 24 ILE C . 25693 1 213 . 1 1 24 24 ILE CA C 13 62.503 0.1 . 1 . . . . 24 ILE CA . 25693 1 214 . 1 1 24 24 ILE CB C 13 39.509 0.1 . 1 . . . . 24 ILE CB . 25693 1 215 . 1 1 24 24 ILE CG1 C 13 28.602 0.1 . 1 . . . . 24 ILE CG1 . 25693 1 216 . 1 1 24 24 ILE CG2 C 13 17.277 0.1 . 1 . . . . 24 ILE CG2 . 25693 1 217 . 1 1 24 24 ILE CD1 C 13 13.874 0.1 . 1 . . . . 24 ILE CD1 . 25693 1 218 . 1 1 24 24 ILE N N 15 120.563 0.1 . 1 . . . . 24 ILE N . 25693 1 219 . 1 1 25 25 LYS H H 1 8.526 0.02 . 1 . . . . 25 LYS H . 25693 1 220 . 1 1 25 25 LYS HA H 1 4.771 0.02 . 1 . . . . 25 LYS HA . 25693 1 221 . 1 1 25 25 LYS HB2 H 1 1.794 0.02 . 1 . . . . 25 LYS HB2 . 25693 1 222 . 1 1 25 25 LYS HB3 H 1 1.794 0.02 . 1 . . . . 25 LYS HB3 . 25693 1 223 . 1 1 25 25 LYS HG2 H 1 1.473 0.02 . 1 . . . . 25 LYS HG2 . 25693 1 224 . 1 1 25 25 LYS HG3 H 1 1.473 0.02 . 1 . . . . 25 LYS HG3 . 25693 1 225 . 1 1 25 25 LYS HD2 H 1 1.760 0.02 . 1 . . . . 25 LYS HD2 . 25693 1 226 . 1 1 25 25 LYS HD3 H 1 1.760 0.02 . 1 . . . . 25 LYS HD3 . 25693 1 227 . 1 1 25 25 LYS HE2 H 1 3.005 0.02 . 1 . . . . 25 LYS HE2 . 25693 1 228 . 1 1 25 25 LYS HE3 H 1 3.005 0.02 . 1 . . . . 25 LYS HE3 . 25693 1 229 . 1 1 25 25 LYS C C 13 173.336 0.1 . 1 . . . . 25 LYS C . 25693 1 230 . 1 1 25 25 LYS CA C 13 55.120 0.1 . 1 . . . . 25 LYS CA . 25693 1 231 . 1 1 25 25 LYS CB C 13 35.825 0.1 . 1 . . . . 25 LYS CB . 25693 1 232 . 1 1 25 25 LYS CG C 13 25.042 0.1 . 1 . . . . 25 LYS CG . 25693 1 233 . 1 1 25 25 LYS CD C 13 29.518 0.1 . 1 . . . . 25 LYS CD . 25693 1 234 . 1 1 25 25 LYS CE C 13 42.374 0.1 . 1 . . . . 25 LYS CE . 25693 1 235 . 1 1 25 25 LYS N N 15 127.474 0.1 . 1 . . . . 25 LYS N . 25693 1 236 . 1 1 26 26 THR H H 1 7.998 0.02 . 1 . . . . 26 THR H . 25693 1 237 . 1 1 26 26 THR HA H 1 5.512 0.02 . 1 . . . . 26 THR HA . 25693 1 238 . 1 1 26 26 THR HB H 1 3.779 0.02 . 1 . . . . 26 THR HB . 25693 1 239 . 1 1 26 26 THR HG21 H 1 0.931 0.02 . 1 . . . . 26 THR QG2 . 25693 1 240 . 1 1 26 26 THR HG22 H 1 0.931 0.02 . 1 . . . . 26 THR QG2 . 25693 1 241 . 1 1 26 26 THR HG23 H 1 0.931 0.02 . 1 . . . . 26 THR QG2 . 25693 1 242 . 1 1 26 26 THR C C 13 169.422 0.1 . 1 . . . . 26 THR C . 25693 1 243 . 1 1 26 26 THR CA C 13 60.264 0.1 . 1 . . . . 26 THR CA . 25693 1 244 . 1 1 26 26 THR CB C 13 72.098 0.1 . 1 . . . . 26 THR CB . 25693 1 245 . 1 1 26 26 THR CG2 C 13 22.397 0.1 . 1 . . . . 26 THR CG2 . 25693 1 246 . 1 1 26 26 THR N N 15 114.644 0.1 . 1 . . . . 26 THR N . 25693 1 247 . 1 1 27 27 TYR H H 1 8.848 0.02 . 1 . . . . 27 TYR H . 25693 1 248 . 1 1 27 27 TYR HA H 1 4.877 0.02 . 1 . . . . 27 TYR HA . 25693 1 249 . 1 1 27 27 TYR HB2 H 1 2.615 0.02 . 2 . . . . 27 TYR HB2 . 25693 1 250 . 1 1 27 27 TYR HB3 H 1 2.968 0.02 . 2 . . . . 27 TYR HB3 . 25693 1 251 . 1 1 27 27 TYR HD1 H 1 6.986 0.02 . 1 . . . . 27 TYR HD1 . 25693 1 252 . 1 1 27 27 TYR HD2 H 1 6.986 0.02 . 1 . . . . 27 TYR HD2 . 25693 1 253 . 1 1 27 27 TYR HE1 H 1 6.746 0.02 . 1 . . . . 27 TYR HE1 . 25693 1 254 . 1 1 27 27 TYR HE2 H 1 6.746 0.02 . 1 . . . . 27 TYR HE2 . 25693 1 255 . 1 1 27 27 TYR CA C 13 57.331 0.1 . 1 . . . . 27 TYR CA . 25693 1 256 . 1 1 27 27 TYR CB C 13 42.601 0.1 . 1 . . . . 27 TYR CB . 25693 1 257 . 1 1 27 27 TYR CD1 C 13 133.083 0.1 . 1 . . . . 27 TYR CD1 . 25693 1 258 . 1 1 27 27 TYR CE1 C 13 118.329 0.1 . 1 . . . . 27 TYR CE1 . 25693 1 259 . 1 1 27 27 TYR N N 15 122.745 0.1 . 1 . . . . 27 TYR N . 25693 1 260 . 1 1 28 28 THR H H 1 8.532 0.02 . 1 . . . . 28 THR H . 25693 1 261 . 1 1 28 28 THR HA H 1 5.005 0.02 . 1 . . . . 28 THR HA . 25693 1 262 . 1 1 28 28 THR HB H 1 4.000 0.02 . 1 . . . . 28 THR HB . 25693 1 263 . 1 1 28 28 THR HG21 H 1 1.112 0.02 . 1 . . . . 28 THR QG2 . 25693 1 264 . 1 1 28 28 THR HG22 H 1 1.112 0.02 . 1 . . . . 28 THR QG2 . 25693 1 265 . 1 1 28 28 THR HG23 H 1 1.112 0.02 . 1 . . . . 28 THR QG2 . 25693 1 266 . 1 1 28 28 THR C C 13 169.027 0.1 . 1 . . . . 28 THR C . 25693 1 267 . 1 1 28 28 THR CA C 13 61.921 0.1 . 1 . . . . 28 THR CA . 25693 1 268 . 1 1 28 28 THR CB C 13 70.988 0.1 . 1 . . . . 28 THR CB . 25693 1 269 . 1 1 28 28 THR CG2 C 13 21.483 0.1 . 1 . . . . 28 THR CG2 . 25693 1 270 . 1 1 28 28 THR N N 15 117.167 0.1 . 1 . . . . 28 THR N . 25693 1 271 . 1 1 29 29 ILE H H 1 8.782 0.02 . 1 . . . . 29 ILE H . 25693 1 272 . 1 1 29 29 ILE HA H 1 4.352 0.02 . 1 . . . . 29 ILE HA . 25693 1 273 . 1 1 29 29 ILE HB H 1 1.380 0.02 . 1 . . . . 29 ILE HB . 25693 1 274 . 1 1 29 29 ILE HG12 H 1 0.710 0.02 . 2 . . . . 29 ILE HG12 . 25693 1 275 . 1 1 29 29 ILE HG13 H 1 1.188 0.02 . 2 . . . . 29 ILE HG13 . 25693 1 276 . 1 1 29 29 ILE HG21 H 1 0.551 0.02 . 1 . . . . 29 ILE QG2 . 25693 1 277 . 1 1 29 29 ILE HG22 H 1 0.551 0.02 . 1 . . . . 29 ILE QG2 . 25693 1 278 . 1 1 29 29 ILE HG23 H 1 0.551 0.02 . 1 . . . . 29 ILE QG2 . 25693 1 279 . 1 1 29 29 ILE HD11 H 1 0.448 0.02 . 1 . . . . 29 ILE QD1 . 25693 1 280 . 1 1 29 29 ILE HD12 H 1 0.448 0.02 . 1 . . . . 29 ILE QD1 . 25693 1 281 . 1 1 29 29 ILE HD13 H 1 0.448 0.02 . 1 . . . . 29 ILE QD1 . 25693 1 282 . 1 1 29 29 ILE C C 13 171.747 0.1 . 1 . . . . 29 ILE C . 25693 1 283 . 1 1 29 29 ILE CA C 13 60.205 0.1 . 1 . . . . 29 ILE CA . 25693 1 284 . 1 1 29 29 ILE CB C 13 42.025 0.1 . 1 . . . . 29 ILE CB . 25693 1 285 . 1 1 29 29 ILE CG1 C 13 27.307 0.1 . 1 . . . . 29 ILE CG1 . 25693 1 286 . 1 1 29 29 ILE CG2 C 13 17.600 0.1 . 1 . . . . 29 ILE CG2 . 25693 1 287 . 1 1 29 29 ILE CD1 C 13 13.753 0.1 . 1 . . . . 29 ILE CD1 . 25693 1 288 . 1 1 29 29 ILE N N 15 124.474 0.1 . 1 . . . . 29 ILE N . 25693 1 289 . 1 1 30 30 THR H H 1 8.475 0.02 . 1 . . . . 30 THR H . 25693 1 290 . 1 1 30 30 THR HA H 1 5.143 0.02 . 1 . . . . 30 THR HA . 25693 1 291 . 1 1 30 30 THR HB H 1 4.120 0.02 . 1 . . . . 30 THR HB . 25693 1 292 . 1 1 30 30 THR HG21 H 1 1.181 0.02 . 1 . . . . 30 THR QG2 . 25693 1 293 . 1 1 30 30 THR HG22 H 1 1.181 0.02 . 1 . . . . 30 THR QG2 . 25693 1 294 . 1 1 30 30 THR HG23 H 1 1.181 0.02 . 1 . . . . 30 THR QG2 . 25693 1 295 . 1 1 30 30 THR C C 13 170.054 0.1 . 1 . . . . 30 THR C . 25693 1 296 . 1 1 30 30 THR CA C 13 60.664 0.1 . 1 . . . . 30 THR CA . 25693 1 297 . 1 1 30 30 THR CB C 13 71.397 0.1 . 1 . . . . 30 THR CB . 25693 1 298 . 1 1 30 30 THR CG2 C 13 21.807 0.1 . 1 . . . . 30 THR CG2 . 25693 1 299 . 1 1 30 30 THR N N 15 120.157 0.1 . 1 . . . . 30 THR N . 25693 1 300 . 1 1 31 31 GLU H H 1 8.589 0.02 . 1 . . . . 31 GLU H . 25693 1 301 . 1 1 31 31 GLU HA H 1 4.651 0.02 . 1 . . . . 31 GLU HA . 25693 1 302 . 1 1 31 31 GLU HB2 H 1 1.984 0.02 . 1 . . . . 31 GLU HB2 . 25693 1 303 . 1 1 31 31 GLU HB3 H 1 1.984 0.02 . 1 . . . . 31 GLU HB3 . 25693 1 304 . 1 1 31 31 GLU HG2 H 1 2.167 0.02 . 2 . . . . 31 GLU HG2 . 25693 1 305 . 1 1 31 31 GLU HG3 H 1 2.265 0.02 . 2 . . . . 31 GLU HG3 . 25693 1 306 . 1 1 31 31 GLU C C 13 176.004 0.1 . 1 . . . . 31 GLU C . 25693 1 307 . 1 1 31 31 GLU CA C 13 55.212 0.1 . 1 . . . . 31 GLU CA . 25693 1 308 . 1 1 31 31 GLU CB C 13 31.637 0.1 . 1 . . . . 31 GLU CB . 25693 1 309 . 1 1 31 31 GLU CG C 13 36.113 0.1 . 1 . . . . 31 GLU CG . 25693 1 310 . 1 1 31 31 GLU N N 15 126.425 0.1 . 1 . . . . 31 GLU N . 25693 1 311 . 1 1 32 32 GLY H H 1 8.996 0.02 . 1 . . . . 32 GLY H . 25693 1 312 . 1 1 32 32 GLY HA2 H 1 3.743 0.02 . 2 . . . . 32 GLY HA2 . 25693 1 313 . 1 1 32 32 GLY HA3 H 1 4.099 0.02 . 2 . . . . 32 GLY HA3 . 25693 1 314 . 1 1 32 32 GLY CA C 13 47.692 0.1 . 1 . . . . 32 GLY CA . 25693 1 315 . 1 1 32 32 GLY N N 15 116.534 0.1 . 1 . . . . 32 GLY N . 25693 1 316 . 1 1 33 33 SER HA H 1 4.452 0.02 . 1 . . . . 33 SER HA . 25693 1 317 . 1 1 33 33 SER C C 13 173.267 0.1 . 1 . . . . 33 SER C . 25693 1 318 . 1 1 33 33 SER CA C 13 59.715 0.1 . 1 . . . . 33 SER CA . 25693 1 319 . 1 1 33 33 SER CB C 13 59.715 0.1 . 1 . . . . 33 SER CB . 25693 1 320 . 1 1 34 34 LEU H H 1 8.425 0.02 . 1 . . . . 34 LEU H . 25693 1 321 . 1 1 34 34 LEU HA H 1 4.661 0.02 . 1 . . . . 34 LEU HA . 25693 1 322 . 1 1 34 34 LEU HB2 H 1 2.184 0.02 . 2 . . . . 34 LEU HB2 . 25693 1 323 . 1 1 34 34 LEU HB3 H 1 1.513 0.02 . 2 . . . . 34 LEU HB3 . 25693 1 324 . 1 1 34 34 LEU HG H 1 0.794 0.02 . 1 . . . . 34 LEU HG . 25693 1 325 . 1 1 34 34 LEU HD11 H 1 0.962 0.02 . 2 . . . . 34 LEU QD1 . 25693 1 326 . 1 1 34 34 LEU HD12 H 1 0.962 0.02 . 2 . . . . 34 LEU QD1 . 25693 1 327 . 1 1 34 34 LEU HD13 H 1 0.962 0.02 . 2 . . . . 34 LEU QD1 . 25693 1 328 . 1 1 34 34 LEU HD21 H 1 0.923 0.02 . 2 . . . . 34 LEU QD2 . 25693 1 329 . 1 1 34 34 LEU HD22 H 1 0.923 0.02 . 2 . . . . 34 LEU QD2 . 25693 1 330 . 1 1 34 34 LEU HD23 H 1 0.923 0.02 . 2 . . . . 34 LEU QD2 . 25693 1 331 . 1 1 34 34 LEU C C 13 173.314 0.1 . 1 . . . . 34 LEU C . 25693 1 332 . 1 1 34 34 LEU CA C 13 55.304 0.1 . 1 . . . . 34 LEU CA . 25693 1 333 . 1 1 34 34 LEU CB C 13 44.132 0.1 . 1 . . . . 34 LEU CB . 25693 1 334 . 1 1 34 34 LEU CG C 13 25.690 0.1 . 1 . . . . 34 LEU CG . 25693 1 335 . 1 1 34 34 LEU CD1 C 13 25.031 0.1 . 1 . . . . 34 LEU CD1 . 25693 1 336 . 1 1 34 34 LEU CD2 C 13 26.660 0.1 . 1 . . . . 34 LEU CD2 . 25693 1 337 . 1 1 34 34 LEU N N 15 116.305 0.1 . 1 . . . . 34 LEU N . 25693 1 338 . 1 1 35 35 ARG H H 1 8.560 0.02 . 1 . . . . 35 ARG H . 25693 1 339 . 1 1 35 35 ARG HA H 1 5.191 0.02 . 1 . . . . 35 ARG HA . 25693 1 340 . 1 1 35 35 ARG HB2 H 1 1.726 0.02 . 2 . . . . 35 ARG HB2 . 25693 1 341 . 1 1 35 35 ARG HB3 H 1 1.876 0.02 . 2 . . . . 35 ARG HB3 . 25693 1 342 . 1 1 35 35 ARG HG2 H 1 1.445 0.02 . 2 . . . . 35 ARG HG2 . 25693 1 343 . 1 1 35 35 ARG HG3 H 1 1.585 0.02 . 2 . . . . 35 ARG HG3 . 25693 1 344 . 1 1 35 35 ARG HD2 H 1 3.138 0.02 . 1 . . . . 35 ARG HD2 . 25693 1 345 . 1 1 35 35 ARG HD3 H 1 3.138 0.02 . 1 . . . . 35 ARG HD3 . 25693 1 346 . 1 1 35 35 ARG C C 13 175.720 0.1 . 1 . . . . 35 ARG C . 25693 1 347 . 1 1 35 35 ARG CA C 13 55.304 0.1 . 1 . . . . 35 ARG CA . 25693 1 348 . 1 1 35 35 ARG CB C 13 32.808 0.1 . 1 . . . . 35 ARG CB . 25693 1 349 . 1 1 35 35 ARG CG C 13 27.631 0.1 . 1 . . . . 35 ARG CG . 25693 1 350 . 1 1 35 35 ARG CD C 13 44.094 0.1 . 1 . . . . 35 ARG CD . 25693 1 351 . 1 1 35 35 ARG N N 15 127.474 0.1 . 1 . . . . 35 ARG N . 25693 1 352 . 1 1 36 36 CYS H H 1 9.179 0.02 . 1 . . . . 36 CYS H . 25693 1 353 . 1 1 36 36 CYS HA H 1 5.849 0.02 . 1 . . . . 36 CYS HA . 25693 1 354 . 1 1 36 36 CYS HB2 H 1 2.845 0.02 . 2 . . . . 36 CYS HB2 . 25693 1 355 . 1 1 36 36 CYS HB3 H 1 2.736 0.02 . 2 . . . . 36 CYS HB3 . 25693 1 356 . 1 1 36 36 CYS CA C 13 55.839 0.1 . 1 . . . . 36 CYS CA . 25693 1 357 . 1 1 36 36 CYS CB C 13 50.065 0.1 . 1 . . . . 36 CYS CB . 25693 1 358 . 1 1 36 36 CYS N N 15 122.335 0.1 . 1 . . . . 36 CYS N . 25693 1 359 . 1 1 37 37 VAL H H 1 9.308 0.02 . 1 . . . . 37 VAL H . 25693 1 360 . 1 1 37 37 VAL HA H 1 4.753 0.02 . 1 . . . . 37 VAL HA . 25693 1 361 . 1 1 37 37 VAL HB H 1 1.701 0.02 . 1 . . . . 37 VAL HB . 25693 1 362 . 1 1 37 37 VAL HG11 H 1 0.733 0.02 . 2 . . . . 37 VAL QG1 . 25693 1 363 . 1 1 37 37 VAL HG12 H 1 0.733 0.02 . 2 . . . . 37 VAL QG1 . 25693 1 364 . 1 1 37 37 VAL HG13 H 1 0.733 0.02 . 2 . . . . 37 VAL QG1 . 25693 1 365 . 1 1 37 37 VAL HG21 H 1 0.416 0.02 . 2 . . . . 37 VAL QG2 . 25693 1 366 . 1 1 37 37 VAL HG22 H 1 0.416 0.02 . 2 . . . . 37 VAL QG2 . 25693 1 367 . 1 1 37 37 VAL HG23 H 1 0.416 0.02 . 2 . . . . 37 VAL QG2 . 25693 1 368 . 1 1 37 37 VAL CA C 13 61.106 0.1 . 1 . . . . 37 VAL CA . 25693 1 369 . 1 1 37 37 VAL CB C 13 35.159 0.1 . 1 . . . . 37 VAL CB . 25693 1 370 . 1 1 37 37 VAL CG1 C 13 21.483 0.1 . 1 . . . . 37 VAL CG1 . 25693 1 371 . 1 1 37 37 VAL CG2 C 13 21.514 0.1 . 1 . . . . 37 VAL CG2 . 25693 1 372 . 1 1 37 37 VAL N N 15 122.327 0.1 . 1 . . . . 37 VAL N . 25693 1 373 . 1 1 38 38 ILE H H 1 9.014 0.02 . 1 . . . . 38 ILE H . 25693 1 374 . 1 1 38 38 ILE HA H 1 4.848 0.02 . 1 . . . . 38 ILE HA . 25693 1 375 . 1 1 38 38 ILE HB H 1 1.851 0.02 . 1 . . . . 38 ILE HB . 25693 1 376 . 1 1 38 38 ILE HG12 H 1 1.082 0.02 . 2 . . . . 38 ILE HG12 . 25693 1 377 . 1 1 38 38 ILE HG13 H 1 1.498 0.02 . 2 . . . . 38 ILE HG13 . 25693 1 378 . 1 1 38 38 ILE HG21 H 1 0.873 0.02 . 1 . . . . 38 ILE QG2 . 25693 1 379 . 1 1 38 38 ILE HG22 H 1 0.873 0.02 . 1 . . . . 38 ILE QG2 . 25693 1 380 . 1 1 38 38 ILE HG23 H 1 0.873 0.02 . 1 . . . . 38 ILE QG2 . 25693 1 381 . 1 1 38 38 ILE HD11 H 1 0.712 0.02 . 1 . . . . 38 ILE QD1 . 25693 1 382 . 1 1 38 38 ILE HD12 H 1 0.712 0.02 . 1 . . . . 38 ILE QD1 . 25693 1 383 . 1 1 38 38 ILE HD13 H 1 0.712 0.02 . 1 . . . . 38 ILE QD1 . 25693 1 384 . 1 1 38 38 ILE CA C 13 60.480 0.1 . 1 . . . . 38 ILE CA . 25693 1 385 . 1 1 38 38 ILE CB C 13 40.891 0.1 . 1 . . . . 38 ILE CB . 25693 1 386 . 1 1 38 38 ILE CG1 C 13 29.397 0.1 . 1 . . . . 38 ILE CG1 . 25693 1 387 . 1 1 38 38 ILE CG2 C 13 18.725 0.1 . 1 . . . . 38 ILE CG2 . 25693 1 388 . 1 1 38 38 ILE CD1 C 13 15.208 0.1 . 1 . . . . 38 ILE CD1 . 25693 1 389 . 1 1 38 38 ILE N N 15 126.295 0.1 . 1 . . . . 38 ILE N . 25693 1 390 . 1 1 39 39 PHE H H 1 9.700 0.02 . 1 . . . . 39 PHE H . 25693 1 391 . 1 1 39 39 PHE HA H 1 5.307 0.02 . 1 . . . . 39 PHE HA . 25693 1 392 . 1 1 39 39 PHE HB2 H 1 3.169 0.02 . 2 . . . . 39 PHE HB2 . 25693 1 393 . 1 1 39 39 PHE HB3 H 1 2.893 0.02 . 2 . . . . 39 PHE HB3 . 25693 1 394 . 1 1 39 39 PHE HD1 H 1 7.194 0.02 . 1 . . . . 39 PHE HD1 . 25693 1 395 . 1 1 39 39 PHE HD2 H 1 7.194 0.02 . 1 . . . . 39 PHE HD2 . 25693 1 396 . 1 1 39 39 PHE HE1 H 1 7.249 0.02 . 1 . . . . 39 PHE HE1 . 25693 1 397 . 1 1 39 39 PHE HE2 H 1 7.249 0.02 . 1 . . . . 39 PHE HE2 . 25693 1 398 . 1 1 39 39 PHE C C 13 174.855 0.1 . 1 . . . . 39 PHE C . 25693 1 399 . 1 1 39 39 PHE CA C 13 56.498 0.1 . 1 . . . . 39 PHE CA . 25693 1 400 . 1 1 39 39 PHE CB C 13 41.507 0.1 . 1 . . . . 39 PHE CB . 25693 1 401 . 1 1 39 39 PHE CD1 C 13 133.083 0.1 . 1 . . . . 39 PHE CD1 . 25693 1 402 . 1 1 39 39 PHE CE1 C 13 131.789 0.1 . 1 . . . . 39 PHE CE1 . 25693 1 403 . 1 1 39 39 PHE N N 15 124.882 0.1 . 1 . . . . 39 PHE N . 25693 1 404 . 1 1 40 40 ILE H H 1 9.313 0.02 . 1 . . . . 40 ILE H . 25693 1 405 . 1 1 40 40 ILE HA H 1 4.722 0.02 . 1 . . . . 40 ILE HA . 25693 1 406 . 1 1 40 40 ILE HB H 1 2.045 0.02 . 1 . . . . 40 ILE HB . 25693 1 407 . 1 1 40 40 ILE HG12 H 1 1.685 0.02 . 2 . . . . 40 ILE HG12 . 25693 1 408 . 1 1 40 40 ILE HG13 H 1 1.182 0.02 . 2 . . . . 40 ILE HG13 . 25693 1 409 . 1 1 40 40 ILE HG21 H 1 0.990 0.02 . 1 . . . . 40 ILE QG2 . 25693 1 410 . 1 1 40 40 ILE HG22 H 1 0.990 0.02 . 1 . . . . 40 ILE QG2 . 25693 1 411 . 1 1 40 40 ILE HG23 H 1 0.990 0.02 . 1 . . . . 40 ILE QG2 . 25693 1 412 . 1 1 40 40 ILE HD11 H 1 0.892 0.02 . 1 . . . . 40 ILE QD1 . 25693 1 413 . 1 1 40 40 ILE HD12 H 1 0.892 0.02 . 1 . . . . 40 ILE QD1 . 25693 1 414 . 1 1 40 40 ILE HD13 H 1 0.892 0.02 . 1 . . . . 40 ILE QD1 . 25693 1 415 . 1 1 40 40 ILE C C 13 173.603 0.1 . 1 . . . . 40 ILE C . 25693 1 416 . 1 1 40 40 ILE CA C 13 61.736 0.1 . 1 . . . . 40 ILE CA . 25693 1 417 . 1 1 40 40 ILE CB C 13 38.911 0.1 . 1 . . . . 40 ILE CB . 25693 1 418 . 1 1 40 40 ILE CG1 C 13 28.184 0.1 . 1 . . . . 40 ILE CG1 . 25693 1 419 . 1 1 40 40 ILE CG2 C 13 18.894 0.1 . 1 . . . . 40 ILE CG2 . 25693 1 420 . 1 1 40 40 ILE CD1 C 13 14.041 0.1 . 1 . . . . 40 ILE CD1 . 25693 1 421 . 1 1 40 40 ILE N N 15 124.722 0.1 . 1 . . . . 40 ILE N . 25693 1 422 . 1 1 41 41 THR H H 1 8.593 0.02 . 1 . . . . 41 THR H . 25693 1 423 . 1 1 41 41 THR HA H 1 4.988 0.02 . 1 . . . . 41 THR HA . 25693 1 424 . 1 1 41 41 THR HB H 1 4.661 0.02 . 1 . . . . 41 THR HB . 25693 1 425 . 1 1 41 41 THR HG21 H 1 1.261 0.02 . 1 . . . . 41 THR QG2 . 25693 1 426 . 1 1 41 41 THR HG22 H 1 1.261 0.02 . 1 . . . . 41 THR QG2 . 25693 1 427 . 1 1 41 41 THR HG23 H 1 1.261 0.02 . 1 . . . . 41 THR QG2 . 25693 1 428 . 1 1 41 41 THR C C 13 171.363 0.1 . 1 . . . . 41 THR C . 25693 1 429 . 1 1 41 41 THR CA C 13 59.776 0.1 . 1 . . . . 41 THR CA . 25693 1 430 . 1 1 41 41 THR CB C 13 72.930 0.1 . 1 . . . . 41 THR CB . 25693 1 431 . 1 1 41 41 THR CG2 C 13 21.514 0.1 . 1 . . . . 41 THR CG2 . 25693 1 432 . 1 1 41 41 THR N N 15 116.571 0.1 . 1 . . . . 41 THR N . 25693 1 433 . 1 1 42 42 LYS H H 1 8.597 0.02 . 1 . . . . 42 LYS H . 25693 1 434 . 1 1 42 42 LYS HA H 1 4.407 0.02 . 1 . . . . 42 LYS HA . 25693 1 435 . 1 1 42 42 LYS HB2 H 1 2.044 0.02 . 1 . . . . 42 LYS HB2 . 25693 1 436 . 1 1 42 42 LYS HB3 H 1 2.044 0.02 . 1 . . . . 42 LYS HB3 . 25693 1 437 . 1 1 42 42 LYS HG2 H 1 1.606 0.02 . 2 . . . . 42 LYS HG2 . 25693 1 438 . 1 1 42 42 LYS HG3 H 1 1.677 0.02 . 2 . . . . 42 LYS HG3 . 25693 1 439 . 1 1 42 42 LYS HD2 H 1 1.829 0.02 . 1 . . . . 42 LYS HD2 . 25693 1 440 . 1 1 42 42 LYS HD3 H 1 1.829 0.02 . 1 . . . . 42 LYS HD3 . 25693 1 441 . 1 1 42 42 LYS HE2 H 1 3.112 0.02 . 1 . . . . 42 LYS HE2 . 25693 1 442 . 1 1 42 42 LYS HE3 H 1 3.112 0.02 . 1 . . . . 42 LYS HE3 . 25693 1 443 . 1 1 42 42 LYS CA C 13 59.500 0.1 . 1 . . . . 42 LYS CA . 25693 1 444 . 1 1 42 42 LYS CB C 13 33.333 0.1 . 1 . . . . 42 LYS CB . 25693 1 445 . 1 1 42 42 LYS CG C 13 25.690 0.1 . 1 . . . . 42 LYS CG . 25693 1 446 . 1 1 42 42 LYS CE C 13 42.495 0.1 . 1 . . . . 42 LYS CE . 25693 1 447 . 1 1 42 42 LYS N N 15 116.228 0.1 . 1 . . . . 42 LYS N . 25693 1 448 . 1 1 43 43 ARG H H 1 7.753 0.02 . 1 . . . . 43 ARG H . 25693 1 449 . 1 1 43 43 ARG HA H 1 4.651 0.02 . 1 . . . . 43 ARG HA . 25693 1 450 . 1 1 43 43 ARG HB2 H 1 1.643 0.02 . 2 . . . . 43 ARG HB2 . 25693 1 451 . 1 1 43 43 ARG HB3 H 1 2.154 0.02 . 2 . . . . 43 ARG HB3 . 25693 1 452 . 1 1 43 43 ARG HG2 H 1 1.640 0.02 . 2 . . . . 43 ARG HG2 . 25693 1 453 . 1 1 43 43 ARG HG3 H 1 1.725 0.02 . 2 . . . . 43 ARG HG3 . 25693 1 454 . 1 1 43 43 ARG HD2 H 1 3.279 0.02 . 1 . . . . 43 ARG HD2 . 25693 1 455 . 1 1 43 43 ARG HD3 H 1 3.279 0.02 . 1 . . . . 43 ARG HD3 . 25693 1 456 . 1 1 43 43 ARG C C 13 176.160 0.1 . 1 . . . . 43 ARG C . 25693 1 457 . 1 1 43 43 ARG CA C 13 55.212 0.1 . 1 . . . . 43 ARG CA . 25693 1 458 . 1 1 43 43 ARG CB C 13 31.550 0.1 . 1 . . . . 43 ARG CB . 25693 1 459 . 1 1 43 43 ARG CG C 13 27.954 0.1 . 1 . . . . 43 ARG CG . 25693 1 460 . 1 1 43 43 ARG CD C 13 43.586 0.1 . 1 . . . . 43 ARG CD . 25693 1 461 . 1 1 43 43 ARG N N 15 113.916 0.1 . 1 . . . . 43 ARG N . 25693 1 462 . 1 1 44 44 GLY H H 1 7.498 0.02 . 1 . . . . 44 GLY H . 25693 1 463 . 1 1 44 44 GLY HA2 H 1 3.976 0.02 . 2 . . . . 44 GLY HA2 . 25693 1 464 . 1 1 44 44 GLY HA3 H 1 5.016 0.02 . 2 . . . . 44 GLY HA3 . 25693 1 465 . 1 1 44 44 GLY C C 13 163.798 0.1 . 1 . . . . 44 GLY C . 25693 1 466 . 1 1 44 44 GLY CA C 13 46.122 0.1 . 1 . . . . 44 GLY CA . 25693 1 467 . 1 1 44 44 GLY N N 15 107.712 0.1 . 1 . . . . 44 GLY N . 25693 1 468 . 1 1 45 45 LEU H H 1 8.374 0.02 . 1 . . . . 45 LEU H . 25693 1 469 . 1 1 45 45 LEU HA H 1 5.531 0.02 . 1 . . . . 45 LEU HA . 25693 1 470 . 1 1 45 45 LEU HB2 H 1 1.621 0.02 . 1 . . . . 45 LEU HB2 . 25693 1 471 . 1 1 45 45 LEU HB3 H 1 1.621 0.02 . 1 . . . . 45 LEU HB3 . 25693 1 472 . 1 1 45 45 LEU HG H 1 1.726 0.02 . 1 . . . . 45 LEU HG . 25693 1 473 . 1 1 45 45 LEU HD11 H 1 0.897 0.02 . 1 . . . . 45 LEU QD1 . 25693 1 474 . 1 1 45 45 LEU HD12 H 1 0.897 0.02 . 1 . . . . 45 LEU QD1 . 25693 1 475 . 1 1 45 45 LEU HD13 H 1 0.897 0.02 . 1 . . . . 45 LEU QD1 . 25693 1 476 . 1 1 45 45 LEU C C 13 175.801 0.1 . 1 . . . . 45 LEU C . 25693 1 477 . 1 1 45 45 LEU CA C 13 54.201 0.1 . 1 . . . . 45 LEU CA . 25693 1 478 . 1 1 45 45 LEU CB C 13 47.446 0.1 . 1 . . . . 45 LEU CB . 25693 1 479 . 1 1 45 45 LEU CG C 13 28.602 0.1 . 1 . . . . 45 LEU CG . 25693 1 480 . 1 1 45 45 LEU CD1 C 13 26.365 0.1 . 1 . . . . 45 LEU CD1 . 25693 1 481 . 1 1 45 45 LEU N N 15 120.948 0.1 . 1 . . . . 45 LEU N . 25693 1 482 . 1 1 46 46 LYS H H 1 9.115 0.02 . 1 . . . . 46 LYS H . 25693 1 483 . 1 1 46 46 LYS HA H 1 5.333 0.02 . 1 . . . . 46 LYS HA . 25693 1 484 . 1 1 46 46 LYS HB2 H 1 1.899 0.02 . 1 . . . . 46 LYS HB2 . 25693 1 485 . 1 1 46 46 LYS HB3 H 1 1.899 0.02 . 1 . . . . 46 LYS HB3 . 25693 1 486 . 1 1 46 46 LYS HG2 H 1 1.502 0.02 . 1 . . . . 46 LYS HG2 . 25693 1 487 . 1 1 46 46 LYS HG3 H 1 1.502 0.02 . 1 . . . . 46 LYS HG3 . 25693 1 488 . 1 1 46 46 LYS HD2 H 1 1.556 0.02 . 1 . . . . 46 LYS HD2 . 25693 1 489 . 1 1 46 46 LYS HD3 H 1 1.556 0.02 . 1 . . . . 46 LYS HD3 . 25693 1 490 . 1 1 46 46 LYS HE2 H 1 2.738 0.02 . 1 . . . . 46 LYS HE2 . 25693 1 491 . 1 1 46 46 LYS HE3 H 1 2.738 0.02 . 1 . . . . 46 LYS HE3 . 25693 1 492 . 1 1 46 46 LYS C C 13 171.169 0.1 . 1 . . . . 46 LYS C . 25693 1 493 . 1 1 46 46 LYS CA C 13 55.855 0.1 . 1 . . . . 46 LYS CA . 25693 1 494 . 1 1 46 46 LYS CB C 13 36.746 0.1 . 1 . . . . 46 LYS CB . 25693 1 495 . 1 1 46 46 LYS CG C 13 25.690 0.1 . 1 . . . . 46 LYS CG . 25693 1 496 . 1 1 46 46 LYS CD C 13 30.367 0.1 . 1 . . . . 46 LYS CD . 25693 1 497 . 1 1 46 46 LYS CE C 13 42.252 0.1 . 1 . . . . 46 LYS CE . 25693 1 498 . 1 1 46 46 LYS N N 15 124.968 0.1 . 1 . . . . 46 LYS N . 25693 1 499 . 1 1 47 47 VAL H H 1 9.221 0.02 . 1 . . . . 47 VAL H . 25693 1 500 . 1 1 47 47 VAL HA H 1 5.253 0.02 . 1 . . . . 47 VAL HA . 25693 1 501 . 1 1 47 47 VAL HB H 1 2.073 0.02 . 1 . . . . 47 VAL HB . 25693 1 502 . 1 1 47 47 VAL HG11 H 1 0.938 0.02 . 1 . . . . 47 VAL QG1 . 25693 1 503 . 1 1 47 47 VAL HG12 H 1 0.938 0.02 . 1 . . . . 47 VAL QG1 . 25693 1 504 . 1 1 47 47 VAL HG13 H 1 0.938 0.02 . 1 . . . . 47 VAL QG1 . 25693 1 505 . 1 1 47 47 VAL C C 13 173.892 0.1 . 1 . . . . 47 VAL C . 25693 1 506 . 1 1 47 47 VAL CA C 13 60.940 0.1 . 1 . . . . 47 VAL CA . 25693 1 507 . 1 1 47 47 VAL CB C 13 34.851 0.1 . 1 . . . . 47 VAL CB . 25693 1 508 . 1 1 47 47 VAL CG1 C 13 21.483 0.1 . 1 . . . . 47 VAL CG1 . 25693 1 509 . 1 1 47 47 VAL CG2 C 13 21.636 0.1 . 1 . . . . 47 VAL CG2 . 25693 1 510 . 1 1 47 47 VAL N N 15 126.006 0.1 . 1 . . . . 47 VAL N . 25693 1 511 . 1 1 48 48 CYS H H 1 9.201 0.02 . 1 . . . . 48 CYS H . 25693 1 512 . 1 1 48 48 CYS HA H 1 6.040 0.02 . 1 . . . . 48 CYS HA . 25693 1 513 . 1 1 48 48 CYS HB2 H 1 3.025 0.02 . 2 . . . . 48 CYS HB2 . 25693 1 514 . 1 1 48 48 CYS HB3 H 1 3.137 0.02 . 2 . . . . 48 CYS HB3 . 25693 1 515 . 1 1 48 48 CYS C C 13 172.554 0.1 . 1 . . . . 48 CYS C . 25693 1 516 . 1 1 48 48 CYS CA C 13 55.181 0.1 . 1 . . . . 48 CYS CA . 25693 1 517 . 1 1 48 48 CYS CB C 13 48.662 0.1 . 1 . . . . 48 CYS CB . 25693 1 518 . 1 1 48 48 CYS N N 15 123.279 0.1 . 1 . . . . 48 CYS N . 25693 1 519 . 1 1 49 49 CYS H H 1 9.117 0.02 . 1 . . . . 49 CYS H . 25693 1 520 . 1 1 49 49 CYS HA H 1 5.679 0.02 . 1 . . . . 49 CYS HA . 25693 1 521 . 1 1 49 49 CYS HB2 H 1 2.872 0.02 . 2 . . . . 49 CYS HB2 . 25693 1 522 . 1 1 49 49 CYS HB3 H 1 3.021 0.02 . 2 . . . . 49 CYS HB3 . 25693 1 523 . 1 1 49 49 CYS CA C 13 56.214 0.1 . 1 . . . . 49 CYS CA . 25693 1 524 . 1 1 49 49 CYS CB C 13 48.015 0.1 . 1 . . . . 49 CYS CB . 25693 1 525 . 1 1 49 49 CYS N N 15 119.872 0.1 . 1 . . . . 49 CYS N . 25693 1 526 . 1 1 50 50 ASP H H 1 8.837 0.02 . 1 . . . . 50 ASP H . 25693 1 527 . 1 1 50 50 ASP HA H 1 5.162 0.02 . 1 . . . . 50 ASP HA . 25693 1 528 . 1 1 50 50 ASP HB2 H 1 2.764 0.02 . 2 . . . . 50 ASP HB2 . 25693 1 529 . 1 1 50 50 ASP HB3 H 1 2.954 0.02 . 2 . . . . 50 ASP HB3 . 25693 1 530 . 1 1 50 50 ASP CA C 13 52.869 0.1 . 1 . . . . 50 ASP CA . 25693 1 531 . 1 1 50 50 ASP CB C 13 42.838 0.1 . 1 . . . . 50 ASP CB . 25693 1 532 . 1 1 50 50 ASP N N 15 123.093 0.1 . 1 . . . . 50 ASP N . 25693 1 533 . 1 1 51 51 PRO HA H 1 4.725 0.02 . 1 . . . . 51 PRO HA . 25693 1 534 . 1 1 51 51 PRO HB2 H 1 2.320 0.02 . 2 . . . . 51 PRO HB2 . 25693 1 535 . 1 1 51 51 PRO HB3 H 1 2.127 0.02 . 2 . . . . 51 PRO HB3 . 25693 1 536 . 1 1 51 51 PRO HG2 H 1 2.126 0.02 . 2 . . . . 51 PRO HG2 . 25693 1 537 . 1 1 51 51 PRO HG3 H 1 2.074 0.02 . 2 . . . . 51 PRO HG3 . 25693 1 538 . 1 1 51 51 PRO HD2 H 1 3.938 0.02 . 2 . . . . 51 PRO HD2 . 25693 1 539 . 1 1 51 51 PRO HD3 H 1 3.856 0.02 . 2 . . . . 51 PRO HD3 . 25693 1 540 . 1 1 51 51 PRO C C 13 178.489 0.1 . 1 . . . . 51 PRO C . 25693 1 541 . 1 1 51 51 PRO CA C 13 63.575 0.1 . 1 . . . . 51 PRO CA . 25693 1 542 . 1 1 51 51 PRO CB C 13 32.550 0.1 . 1 . . . . 51 PRO CB . 25693 1 543 . 1 1 51 51 PRO CG C 13 27.631 0.1 . 1 . . . . 51 PRO CG . 25693 1 544 . 1 1 51 51 PRO CD C 13 50.927 0.1 . 1 . . . . 51 PRO CD . 25693 1 545 . 1 1 52 52 GLN H H 1 8.504 0.02 . 1 . . . . 52 GLN H . 25693 1 546 . 1 1 52 52 GLN HA H 1 4.368 0.02 . 1 . . . . 52 GLN HA . 25693 1 547 . 1 1 52 52 GLN HB2 H 1 2.183 0.02 . 2 . . . . 52 GLN HB2 . 25693 1 548 . 1 1 52 52 GLN HB3 H 1 1.993 0.02 . 2 . . . . 52 GLN HB3 . 25693 1 549 . 1 1 52 52 GLN HG2 H 1 2.355 0.02 . 1 . . . . 52 GLN HG2 . 25693 1 550 . 1 1 52 52 GLN HG3 H 1 2.355 0.02 . 1 . . . . 52 GLN HG3 . 25693 1 551 . 1 1 52 52 GLN C C 13 175.779 0.1 . 1 . . . . 52 GLN C . 25693 1 552 . 1 1 52 52 GLN CA C 13 56.155 0.1 . 1 . . . . 52 GLN CA . 25693 1 553 . 1 1 52 52 GLN CB C 13 30.069 0.1 . 1 . . . . 52 GLN CB . 25693 1 554 . 1 1 52 52 GLN CG C 13 34.649 0.1 . 1 . . . . 52 GLN CG . 25693 1 555 . 1 1 52 52 GLN N N 15 120.594 0.1 . 1 . . . . 52 GLN N . 25693 1 556 . 1 1 53 53 ALA H H 1 8.290 0.02 . 1 . . . . 53 ALA H . 25693 1 557 . 1 1 53 53 ALA HA H 1 4.342 0.02 . 1 . . . . 53 ALA HA . 25693 1 558 . 1 1 53 53 ALA HB1 H 1 1.376 0.02 . 1 . . . . 53 ALA QB . 25693 1 559 . 1 1 53 53 ALA HB2 H 1 1.376 0.02 . 1 . . . . 53 ALA QB . 25693 1 560 . 1 1 53 53 ALA HB3 H 1 1.376 0.02 . 1 . . . . 53 ALA QB . 25693 1 561 . 1 1 53 53 ALA CA C 13 53.214 0.1 . 1 . . . . 53 ALA CA . 25693 1 562 . 1 1 53 53 ALA CB C 13 19.978 0.1 . 1 . . . . 53 ALA CB . 25693 1 563 . 1 1 53 53 ALA N N 15 124.936 0.1 . 1 . . . . 53 ALA N . 25693 1 564 . 1 1 54 54 THR H H 1 8.011 0.02 . 1 . . . . 54 THR H . 25693 1 565 . 1 1 54 54 THR HA H 1 4.318 0.02 . 1 . . . . 54 THR HA . 25693 1 566 . 1 1 54 54 THR HB H 1 4.279 0.02 . 1 . . . . 54 THR HB . 25693 1 567 . 1 1 54 54 THR HG21 H 1 1.225 0.02 . 1 . . . . 54 THR QG2 . 25693 1 568 . 1 1 54 54 THR HG22 H 1 1.225 0.02 . 1 . . . . 54 THR QG2 . 25693 1 569 . 1 1 54 54 THR HG23 H 1 1.225 0.02 . 1 . . . . 54 THR QG2 . 25693 1 570 . 1 1 54 54 THR CA C 13 62.594 0.1 . 1 . . . . 54 THR CA . 25693 1 571 . 1 1 54 54 THR CB C 13 70.341 0.1 . 1 . . . . 54 THR CB . 25693 1 572 . 1 1 54 54 THR CG2 C 13 21.878 0.1 . 1 . . . . 54 THR CG2 . 25693 1 573 . 1 1 54 54 THR N N 15 112.200 0.1 . 1 . . . . 54 THR N . 25693 1 574 . 1 1 55 55 TRP H H 1 7.979 0.02 . 1 . . . . 55 TRP H . 25693 1 575 . 1 1 55 55 TRP HA H 1 4.803 0.02 . 1 . . . . 55 TRP HA . 25693 1 576 . 1 1 55 55 TRP HB2 H 1 3.355 0.02 . 1 . . . . 55 TRP HB2 . 25693 1 577 . 1 1 55 55 TRP HB3 H 1 3.355 0.02 . 1 . . . . 55 TRP HB3 . 25693 1 578 . 1 1 55 55 TRP HD1 H 1 7.314 0.02 . 1 . . . . 55 TRP HD1 . 25693 1 579 . 1 1 55 55 TRP HE1 H 1 10.184 0.02 . 1 . . . . 55 TRP HE1 . 25693 1 580 . 1 1 55 55 TRP HE3 H 1 7.654 0.02 . 1 . . . . 55 TRP HE3 . 25693 1 581 . 1 1 55 55 TRP HZ2 H 1 7.528 0.02 . 1 . . . . 55 TRP HZ2 . 25693 1 582 . 1 1 55 55 TRP HZ3 H 1 7.188 0.02 . 1 . . . . 55 TRP HZ3 . 25693 1 583 . 1 1 55 55 TRP HH2 H 1 7.263 0.02 . 1 . . . . 55 TRP HH2 . 25693 1 584 . 1 1 55 55 TRP C C 13 176.602 0.1 . 1 . . . . 55 TRP C . 25693 1 585 . 1 1 55 55 TRP CA C 13 57.651 0.1 . 1 . . . . 55 TRP CA . 25693 1 586 . 1 1 55 55 TRP CB C 13 30.105 0.1 . 1 . . . . 55 TRP CB . 25693 1 587 . 1 1 55 55 TRP CD1 C 13 127.388 0.1 . 1 . . . . 55 TRP CD1 . 25693 1 588 . 1 1 55 55 TRP CE3 C 13 122.988 0.1 . 1 . . . . 55 TRP CE3 . 25693 1 589 . 1 1 55 55 TRP CZ2 C 13 114.705 0.1 . 1 . . . . 55 TRP CZ2 . 25693 1 590 . 1 1 55 55 TRP CZ3 C 13 122.988 0.1 . 1 . . . . 55 TRP CZ3 . 25693 1 591 . 1 1 55 55 TRP CH2 C 13 124.800 0.1 . 1 . . . . 55 TRP CH2 . 25693 1 592 . 1 1 55 55 TRP N N 15 122.937 0.1 . 1 . . . . 55 TRP N . 25693 1 593 . 1 1 55 55 TRP NE1 N 15 129.802 0.1 . 1 . . . . 55 TRP NE1 . 25693 1 594 . 1 1 56 56 VAL H H 1 7.817 0.02 . 1 . . . . 56 VAL H . 25693 1 595 . 1 1 56 56 VAL HA H 1 4.031 0.02 . 1 . . . . 56 VAL HA . 25693 1 596 . 1 1 56 56 VAL HB H 1 2.037 0.02 . 1 . . . . 56 VAL HB . 25693 1 597 . 1 1 56 56 VAL HG11 H 1 0.904 0.02 . 1 . . . . 56 VAL QG1 . 25693 1 598 . 1 1 56 56 VAL HG12 H 1 0.904 0.02 . 1 . . . . 56 VAL QG1 . 25693 1 599 . 1 1 56 56 VAL HG13 H 1 0.904 0.02 . 1 . . . . 56 VAL QG1 . 25693 1 600 . 1 1 56 56 VAL C C 13 175.779 0.1 . 1 . . . . 56 VAL C . 25693 1 601 . 1 1 56 56 VAL CA C 13 63.060 0.1 . 1 . . . . 56 VAL CA . 25693 1 602 . 1 1 56 56 VAL CB C 13 33.012 0.1 . 1 . . . . 56 VAL CB . 25693 1 603 . 1 1 56 56 VAL CG2 C 13 21.514 0.1 . 1 . . . . 56 VAL CG2 . 25693 1 604 . 1 1 56 56 VAL N N 15 121.829 0.1 . 1 . . . . 56 VAL N . 25693 1 605 . 1 1 57 57 ARG H H 1 8.087 0.02 . 1 . . . . 57 ARG H . 25693 1 606 . 1 1 57 57 ARG HA H 1 4.305 0.02 . 1 . . . . 57 ARG HA . 25693 1 607 . 1 1 57 57 ARG HB2 H 1 1.802 0.02 . 2 . . . . 57 ARG HB2 . 25693 1 608 . 1 1 57 57 ARG HB3 H 1 1.886 0.02 . 2 . . . . 57 ARG HB3 . 25693 1 609 . 1 1 57 57 ARG HG2 H 1 1.658 0.02 . 1 . . . . 57 ARG HG2 . 25693 1 610 . 1 1 57 57 ARG HG3 H 1 1.658 0.02 . 1 . . . . 57 ARG HG3 . 25693 1 611 . 1 1 57 57 ARG HD2 H 1 3.249 0.02 . 1 . . . . 57 ARG HD2 . 25693 1 612 . 1 1 57 57 ARG HD3 H 1 3.249 0.02 . 1 . . . . 57 ARG HD3 . 25693 1 613 . 1 1 57 57 ARG C C 13 176.484 0.1 . 1 . . . . 57 ARG C . 25693 1 614 . 1 1 57 57 ARG CA C 13 56.741 0.1 . 1 . . . . 57 ARG CA . 25693 1 615 . 1 1 57 57 ARG CB C 13 31.502 0.1 . 1 . . . . 57 ARG CB . 25693 1 616 . 1 1 57 57 ARG CG C 13 26.984 0.1 . 1 . . . . 57 ARG CG . 25693 1 617 . 1 1 57 57 ARG CD C 13 43.708 0.1 . 1 . . . . 57 ARG CD . 25693 1 618 . 1 1 57 57 ARG N N 15 123.817 0.1 . 1 . . . . 57 ARG N . 25693 1 619 . 1 1 58 58 ASP H H 1 8.240 0.02 . 1 . . . . 58 ASP H . 25693 1 620 . 1 1 58 58 ASP HA H 1 4.717 0.02 . 1 . . . . 58 ASP HA . 25693 1 621 . 1 1 58 58 ASP HB2 H 1 2.794 0.02 . 1 . . . . 58 ASP HB2 . 25693 1 622 . 1 1 58 58 ASP HB3 H 1 2.794 0.02 . 1 . . . . 58 ASP HB3 . 25693 1 623 . 1 1 58 58 ASP C C 13 177.508 0.1 . 1 . . . . 58 ASP C . 25693 1 624 . 1 1 58 58 ASP CA C 13 54.966 0.1 . 1 . . . . 58 ASP CA . 25693 1 625 . 1 1 58 58 ASP CB C 13 42.021 0.1 . 1 . . . . 58 ASP CB . 25693 1 626 . 1 1 58 58 ASP N N 15 121.452 0.1 . 1 . . . . 58 ASP N . 25693 1 627 . 1 1 59 59 VAL H H 1 8.059 0.02 . 1 . . . . 59 VAL H . 25693 1 628 . 1 1 59 59 VAL HA H 1 4.167 0.02 . 1 . . . . 59 VAL HA . 25693 1 629 . 1 1 59 59 VAL HB H 1 2.172 0.02 . 1 . . . . 59 VAL HB . 25693 1 630 . 1 1 59 59 VAL HG11 H 1 0.981 0.02 . 1 . . . . 59 VAL QG1 . 25693 1 631 . 1 1 59 59 VAL HG12 H 1 0.981 0.02 . 1 . . . . 59 VAL QG1 . 25693 1 632 . 1 1 59 59 VAL HG13 H 1 0.981 0.02 . 1 . . . . 59 VAL QG1 . 25693 1 633 . 1 1 59 59 VAL C C 13 177.636 0.1 . 1 . . . . 59 VAL C . 25693 1 634 . 1 1 59 59 VAL CA C 13 63.146 0.1 . 1 . . . . 59 VAL CA . 25693 1 635 . 1 1 59 59 VAL CB C 13 33.377 0.1 . 1 . . . . 59 VAL CB . 25693 1 636 . 1 1 59 59 VAL CG2 C 13 21.272 0.1 . 1 . . . . 59 VAL CG2 . 25693 1 637 . 1 1 59 59 VAL N N 15 120.104 0.1 . 1 . . . . 59 VAL N . 25693 1 638 . 1 1 60 60 VAL H H 1 8.115 0.02 . 1 . . . . 60 VAL H . 25693 1 639 . 1 1 60 60 VAL HA H 1 4.143 0.02 . 1 . . . . 60 VAL HA . 25693 1 640 . 1 1 60 60 VAL HB H 1 2.158 0.02 . 1 . . . . 60 VAL HB . 25693 1 641 . 1 1 60 60 VAL HG11 H 1 1.020 0.02 . 1 . . . . 60 VAL QG1 . 25693 1 642 . 1 1 60 60 VAL HG12 H 1 1.020 0.02 . 1 . . . . 60 VAL QG1 . 25693 1 643 . 1 1 60 60 VAL HG13 H 1 1.020 0.02 . 1 . . . . 60 VAL QG1 . 25693 1 644 . 1 1 60 60 VAL C C 13 177.956 0.1 . 1 . . . . 60 VAL C . 25693 1 645 . 1 1 60 60 VAL CA C 13 63.452 0.1 . 1 . . . . 60 VAL CA . 25693 1 646 . 1 1 60 60 VAL CB C 13 33.012 0.1 . 1 . . . . 60 VAL CB . 25693 1 647 . 1 1 60 60 VAL CG2 C 13 21.757 0.1 . 1 . . . . 60 VAL CG2 . 25693 1 648 . 1 1 60 60 VAL N N 15 123.394 0.1 . 1 . . . . 60 VAL N . 25693 1 649 . 1 1 61 61 ARG H H 1 8.350 0.02 . 1 . . . . 61 ARG H . 25693 1 650 . 1 1 61 61 ARG HA H 1 4.633 0.02 . 1 . . . . 61 ARG HA . 25693 1 651 . 1 1 61 61 ARG HB2 H 1 2.190 0.02 . 1 . . . . 61 ARG HB2 . 25693 1 652 . 1 1 61 61 ARG HB3 H 1 2.190 0.02 . 1 . . . . 61 ARG HB3 . 25693 1 653 . 1 1 61 61 ARG HD2 H 1 2.663 0.02 . 1 . . . . 61 ARG HD2 . 25693 1 654 . 1 1 61 61 ARG HD3 H 1 2.663 0.02 . 1 . . . . 61 ARG HD3 . 25693 1 655 . 1 1 61 61 ARG C C 13 177.786 0.1 . 1 . . . . 61 ARG C . 25693 1 656 . 1 1 61 61 ARG CA C 13 56.713 0.1 . 1 . . . . 61 ARG CA . 25693 1 657 . 1 1 61 61 ARG CB C 13 31.306 0.1 . 1 . . . . 61 ARG CB . 25693 1 658 . 1 1 61 61 ARG CG C 13 32.862 0.1 . 1 . . . . 61 ARG CG . 25693 1 659 . 1 1 61 61 ARG CD C 13 40.775 0.1 . 1 . . . . 61 ARG CD . 25693 1 660 . 1 1 61 61 ARG N N 15 124.402 0.1 . 1 . . . . 61 ARG N . 25693 1 661 . 1 1 62 62 SER H H 1 8.253 0.02 . 1 . . . . 62 SER H . 25693 1 662 . 1 1 62 62 SER HA H 1 4.579 0.02 . 1 . . . . 62 SER HA . 25693 1 663 . 1 1 62 62 SER HB2 H 1 2.774 0.02 . 1 . . . . 62 SER HB2 . 25693 1 664 . 1 1 62 62 SER HB3 H 1 2.774 0.02 . 1 . . . . 62 SER HB3 . 25693 1 665 . 1 1 62 62 SER C C 13 177.687 0.1 . 1 . . . . 62 SER C . 25693 1 666 . 1 1 62 62 SER CA C 13 56.270 0.1 . 1 . . . . 62 SER CA . 25693 1 667 . 1 1 62 62 SER CB C 13 70.537 0.1 . 1 . . . . 62 SER CB . 25693 1 668 . 1 1 62 62 SER N N 15 121.629 0.1 . 1 . . . . 62 SER N . 25693 1 669 . 1 1 63 63 MET H H 1 8.245 0.02 . 1 . . . . 63 MET H . 25693 1 670 . 1 1 63 63 MET HA H 1 4.706 0.02 . 1 . . . . 63 MET HA . 25693 1 671 . 1 1 63 63 MET HB2 H 1 1.663 0.02 . 2 . . . . 63 MET HB2 . 25693 1 672 . 1 1 63 63 MET HB3 H 1 2.162 0.02 . 2 . . . . 63 MET HB3 . 25693 1 673 . 1 1 63 63 MET HG2 H 1 3.279 0.02 . 1 . . . . 63 MET HG2 . 25693 1 674 . 1 1 63 63 MET HG3 H 1 3.279 0.02 . 1 . . . . 63 MET HG3 . 25693 1 675 . 1 1 63 63 MET C C 13 177.252 0.1 . 1 . . . . 63 MET C . 25693 1 676 . 1 1 63 63 MET CA C 13 54.861 0.1 . 1 . . . . 63 MET CA . 25693 1 677 . 1 1 63 63 MET CB C 13 31.514 0.1 . 1 . . . . 63 MET CB . 25693 1 678 . 1 1 63 63 MET CG C 13 31.216 0.1 . 1 . . . . 63 MET CG . 25693 1 679 . 1 1 63 63 MET N N 15 121.452 0.1 . 1 . . . . 63 MET N . 25693 1 680 . 1 1 64 64 ASP H H 1 8.251 0.02 . 1 . . . . 64 ASP H . 25693 1 681 . 1 1 64 64 ASP HB2 H 1 3.100 0.02 . 1 . . . . 64 ASP HB2 . 25693 1 682 . 1 1 64 64 ASP HB3 H 1 3.100 0.02 . 1 . . . . 64 ASP HB3 . 25693 1 683 . 1 1 64 64 ASP C C 13 177.786 0.1 . 1 . . . . 64 ASP C . 25693 1 684 . 1 1 64 64 ASP CA C 13 56.468 0.1 . 1 . . . . 64 ASP CA . 25693 1 685 . 1 1 64 64 ASP CB C 13 33.377 0.1 . 1 . . . . 64 ASP CB . 25693 1 686 . 1 1 64 64 ASP N N 15 120.811 0.1 . 1 . . . . 64 ASP N . 25693 1 687 . 1 1 65 65 ARG H H 1 8.145 0.02 . 1 . . . . 65 ARG H . 25693 1 688 . 1 1 65 65 ARG HA H 1 4.469 0.02 . 1 . . . . 65 ARG HA . 25693 1 689 . 1 1 65 65 ARG HB2 H 1 1.953 0.02 . 1 . . . . 65 ARG HB2 . 25693 1 690 . 1 1 65 65 ARG HB3 H 1 1.953 0.02 . 1 . . . . 65 ARG HB3 . 25693 1 691 . 1 1 65 65 ARG HG2 H 1 1.533 0.02 . 1 . . . . 65 ARG HG2 . 25693 1 692 . 1 1 65 65 ARG HG3 H 1 1.533 0.02 . 1 . . . . 65 ARG HG3 . 25693 1 693 . 1 1 65 65 ARG HD2 H 1 3.100 0.02 . 1 . . . . 65 ARG HD2 . 25693 1 694 . 1 1 65 65 ARG HD3 H 1 3.100 0.02 . 1 . . . . 65 ARG HD3 . 25693 1 695 . 1 1 65 65 ARG C C 13 179.397 0.1 . 1 . . . . 65 ARG C . 25693 1 696 . 1 1 65 65 ARG CA C 13 57.080 0.1 . 1 . . . . 65 ARG CA . 25693 1 697 . 1 1 65 65 ARG CB C 13 33.510 0.1 . 1 . . . . 65 ARG CB . 25693 1 698 . 1 1 65 65 ARG CG C 13 25.205 0.1 . 1 . . . . 65 ARG CG . 25693 1 699 . 1 1 65 65 ARG CD C 13 42.435 0.1 . 1 . . . . 65 ARG CD . 25693 1 700 . 1 1 65 65 ARG N N 15 120.563 0.1 . 1 . . . . 65 ARG N . 25693 1 701 . 1 1 66 66 LYS H H 1 8.255 0.02 . 1 . . . . 66 LYS H . 25693 1 702 . 1 1 66 66 LYS HA H 1 4.695 0.02 . 1 . . . . 66 LYS HA . 25693 1 703 . 1 1 66 66 LYS HB2 H 1 2.165 0.02 . 1 . . . . 66 LYS HB2 . 25693 1 704 . 1 1 66 66 LYS HB3 H 1 2.165 0.02 . 1 . . . . 66 LYS HB3 . 25693 1 705 . 1 1 66 66 LYS HG2 H 1 1.007 0.02 . 1 . . . . 66 LYS HG2 . 25693 1 706 . 1 1 66 66 LYS HG3 H 1 1.007 0.02 . 1 . . . . 66 LYS HG3 . 25693 1 707 . 1 1 66 66 LYS HD2 H 1 1.957 0.02 . 1 . . . . 66 LYS HD2 . 25693 1 708 . 1 1 66 66 LYS HD3 H 1 1.957 0.02 . 1 . . . . 66 LYS HD3 . 25693 1 709 . 1 1 66 66 LYS HE2 H 1 3.241 0.02 . 1 . . . . 66 LYS HE2 . 25693 1 710 . 1 1 66 66 LYS HE3 H 1 3.241 0.02 . 1 . . . . 66 LYS HE3 . 25693 1 711 . 1 1 66 66 LYS C C 13 177.420 0.1 . 1 . . . . 66 LYS C . 25693 1 712 . 1 1 66 66 LYS CA C 13 57.080 0.1 . 1 . . . . 66 LYS CA . 25693 1 713 . 1 1 66 66 LYS CG C 13 21.503 0.1 . 1 . . . . 66 LYS CG . 25693 1 714 . 1 1 66 66 LYS CD C 13 36.053 0.1 . 1 . . . . 66 LYS CD . 25693 1 715 . 1 1 66 66 LYS CE C 13 44.349 0.1 . 1 . . . . 66 LYS CE . 25693 1 716 . 1 1 66 66 LYS N N 15 116.259 0.1 . 1 . . . . 66 LYS N . 25693 1 stop_ save_