data_25809 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25809 _Entry.Title ; 1H, 13C, 15N assignments of W60G mutant of human beta2-microglobulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-14 _Entry.Accession_date 2015-09-14 _Entry.Last_release_date 2015-09-16 _Entry.Original_release_date 2015-09-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Alessandra Corazza . . . . 25809 2 Stefano Zanini . . . . 25809 3 Gennaro Esposito . . . . 25809 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Udine' . 25809 2 . 'Department of Medical and Biological Sciences' . 25809 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25809 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 25809 '15N chemical shifts' 99 25809 '1H chemical shifts' 497 25809 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-25 . original BMRB . 25809 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15480 '1H chemical shifts of W60G beta2-microglobulin' 25809 BMRB 17165 '1H, 13C, 15N chemical shifts of wt beta2-microglobulin' 25809 BMRB 5169 '1H chemical shifts of wt beta2-microglobulin' 25809 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25809 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep25559 _Citation.PubMed_ID 27150430 _Citation.Full_citation . _Citation.Title ; Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability ; _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 25559 _Citation.Page_last 25559 _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 Carlo Camilloni C. . . . 25809 1 2 'Benedetta Maria' Sala B. M. . . 25809 1 3 Pietro Sormanni P. . . . 25809 1 4 Riccardo Porcari R. . . . 25809 1 5 Alessandra Corazza A. . . . 25809 1 6 Matteo 'De Rosa' M. . . . 25809 1 7 Stefano Zanini S. . . . 25809 1 8 Alberto Barbiroli A. . . . 25809 1 9 Gennaro Esposito G. . . . 25809 1 10 Martino Bolognesi M. . . . 25809 1 11 Vittorio Bellotti V. . . . 25809 1 12 Michele Vendruscolo M. . . . 25809 1 13 Stefano Ricagno S. . . . 25809 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25809 _Assembly.ID 1 _Assembly.Name W60G_beta2-microglobulin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 W60G_beta2-microglobulin 1 $W60G_b2m A . yes native no no . . . 25809 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 26 26 SG . 1 . 1 CYS 81 81 SG . . . . . . . . . . . . 25809 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2VB5 . . . . . . 25809 1 yes PDB 2Z9T . . . . . . 25809 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cell-mediated immunity' 25809 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_W60G_b2m _Entity.Sf_category entity _Entity.Sf_framecode W60G_b2m _Entity.Entry_ID 25809 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name W60G_b2m _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIQRTPKIQVYSRHPAENGK SNFLNCYVSGFHPSDIEVDL LKNGERIEKVEHSDLSFSKD GSFYLLYYTEFTPTEKDEYA CRVNHVTLSQPKIVKWDRDM ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation W60G _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cell-mediated immunity' 25809 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 25809 1 2 1 ILE . 25809 1 3 2 GLN . 25809 1 4 3 ARG . 25809 1 5 4 THR . 25809 1 6 5 PRO . 25809 1 7 6 LYS . 25809 1 8 7 ILE . 25809 1 9 8 GLN . 25809 1 10 9 VAL . 25809 1 11 10 TYR . 25809 1 12 11 SER . 25809 1 13 12 ARG . 25809 1 14 13 HIS . 25809 1 15 14 PRO . 25809 1 16 15 ALA . 25809 1 17 16 GLU . 25809 1 18 17 ASN . 25809 1 19 18 GLY . 25809 1 20 19 LYS . 25809 1 21 20 SER . 25809 1 22 21 ASN . 25809 1 23 22 PHE . 25809 1 24 23 LEU . 25809 1 25 24 ASN . 25809 1 26 25 CYS . 25809 1 27 26 TYR . 25809 1 28 27 VAL . 25809 1 29 28 SER . 25809 1 30 29 GLY . 25809 1 31 30 PHE . 25809 1 32 31 HIS . 25809 1 33 32 PRO . 25809 1 34 33 SER . 25809 1 35 34 ASP . 25809 1 36 35 ILE . 25809 1 37 36 GLU . 25809 1 38 37 VAL . 25809 1 39 38 ASP . 25809 1 40 39 LEU . 25809 1 41 40 LEU . 25809 1 42 41 LYS . 25809 1 43 42 ASN . 25809 1 44 43 GLY . 25809 1 45 44 GLU . 25809 1 46 45 ARG . 25809 1 47 46 ILE . 25809 1 48 47 GLU . 25809 1 49 48 LYS . 25809 1 50 49 VAL . 25809 1 51 50 GLU . 25809 1 52 51 HIS . 25809 1 53 52 SER . 25809 1 54 53 ASP . 25809 1 55 54 LEU . 25809 1 56 55 SER . 25809 1 57 56 PHE . 25809 1 58 57 SER . 25809 1 59 58 LYS . 25809 1 60 59 ASP . 25809 1 61 60 GLY . 25809 1 62 61 SER . 25809 1 63 62 PHE . 25809 1 64 63 TYR . 25809 1 65 64 LEU . 25809 1 66 65 LEU . 25809 1 67 66 TYR . 25809 1 68 67 TYR . 25809 1 69 68 THR . 25809 1 70 69 GLU . 25809 1 71 70 PHE . 25809 1 72 71 THR . 25809 1 73 72 PRO . 25809 1 74 73 THR . 25809 1 75 74 GLU . 25809 1 76 75 LYS . 25809 1 77 76 ASP . 25809 1 78 77 GLU . 25809 1 79 78 TYR . 25809 1 80 79 ALA . 25809 1 81 80 CYS . 25809 1 82 81 ARG . 25809 1 83 82 VAL . 25809 1 84 83 ASN . 25809 1 85 84 HIS . 25809 1 86 85 VAL . 25809 1 87 86 THR . 25809 1 88 87 LEU . 25809 1 89 88 SER . 25809 1 90 89 GLN . 25809 1 91 90 PRO . 25809 1 92 91 LYS . 25809 1 93 92 ILE . 25809 1 94 93 VAL . 25809 1 95 94 LYS . 25809 1 96 95 TRP . 25809 1 97 96 ASP . 25809 1 98 97 ARG . 25809 1 99 98 ASP . 25809 1 100 99 MET . 25809 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25809 1 . ILE 2 2 25809 1 . GLN 3 3 25809 1 . ARG 4 4 25809 1 . THR 5 5 25809 1 . PRO 6 6 25809 1 . LYS 7 7 25809 1 . ILE 8 8 25809 1 . GLN 9 9 25809 1 . VAL 10 10 25809 1 . TYR 11 11 25809 1 . SER 12 12 25809 1 . ARG 13 13 25809 1 . HIS 14 14 25809 1 . PRO 15 15 25809 1 . ALA 16 16 25809 1 . GLU 17 17 25809 1 . ASN 18 18 25809 1 . GLY 19 19 25809 1 . LYS 20 20 25809 1 . SER 21 21 25809 1 . ASN 22 22 25809 1 . PHE 23 23 25809 1 . LEU 24 24 25809 1 . ASN 25 25 25809 1 . CYS 26 26 25809 1 . TYR 27 27 25809 1 . VAL 28 28 25809 1 . SER 29 29 25809 1 . GLY 30 30 25809 1 . PHE 31 31 25809 1 . HIS 32 32 25809 1 . PRO 33 33 25809 1 . SER 34 34 25809 1 . ASP 35 35 25809 1 . ILE 36 36 25809 1 . GLU 37 37 25809 1 . VAL 38 38 25809 1 . ASP 39 39 25809 1 . LEU 40 40 25809 1 . LEU 41 41 25809 1 . LYS 42 42 25809 1 . ASN 43 43 25809 1 . GLY 44 44 25809 1 . GLU 45 45 25809 1 . ARG 46 46 25809 1 . ILE 47 47 25809 1 . GLU 48 48 25809 1 . LYS 49 49 25809 1 . VAL 50 50 25809 1 . GLU 51 51 25809 1 . HIS 52 52 25809 1 . SER 53 53 25809 1 . ASP 54 54 25809 1 . LEU 55 55 25809 1 . SER 56 56 25809 1 . PHE 57 57 25809 1 . SER 58 58 25809 1 . LYS 59 59 25809 1 . ASP 60 60 25809 1 . GLY 61 61 25809 1 . SER 62 62 25809 1 . PHE 63 63 25809 1 . TYR 64 64 25809 1 . LEU 65 65 25809 1 . LEU 66 66 25809 1 . TYR 67 67 25809 1 . TYR 68 68 25809 1 . THR 69 69 25809 1 . GLU 70 70 25809 1 . PHE 71 71 25809 1 . THR 72 72 25809 1 . PRO 73 73 25809 1 . THR 74 74 25809 1 . GLU 75 75 25809 1 . LYS 76 76 25809 1 . ASP 77 77 25809 1 . GLU 78 78 25809 1 . TYR 79 79 25809 1 . ALA 80 80 25809 1 . CYS 81 81 25809 1 . ARG 82 82 25809 1 . VAL 83 83 25809 1 . ASN 84 84 25809 1 . HIS 85 85 25809 1 . VAL 86 86 25809 1 . THR 87 87 25809 1 . LEU 88 88 25809 1 . SER 89 89 25809 1 . GLN 90 90 25809 1 . PRO 91 91 25809 1 . LYS 92 92 25809 1 . ILE 93 93 25809 1 . VAL 94 94 25809 1 . LYS 95 95 25809 1 . TRP 96 96 25809 1 . ASP 97 97 25809 1 . ARG 98 98 25809 1 . ASP 99 99 25809 1 . MET 100 100 25809 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 25809 _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 $W60G_b2m . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25809 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 25809 _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 $W60G_b2m . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . PHN1 . . . 25809 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25809 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 W60G_b2m '[U-98% 13C; U-98% 15N]' . . 1 $W60G_b2m . . 0.7 0.5 0.9 mM . . . . 25809 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 25809 1 3 'sodium phosphate' 'natural abundance' . . . . . . 70 . . mM . . . . 25809 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25809 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25809 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 25809 _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 'ionic strength' 0.19 . M 25809 1 pH 6.6 0.1 pH 25809 1 pressure 1 . atm 25809 1 temperature 310 0.1 K 25809 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25809 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25809 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25809 1 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 25809 _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 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25809 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25809 _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 . 500 . . . 25809 1 2 spectrometer_2 Varian INOVA . 800 . . . 25809 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 25809 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25809 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25809 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25809 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25809 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25809 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25809 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25809 1 8 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25809 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 25809 _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 . . . . . 25809 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25809 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25809 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 25809 _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 1 '2D 1H-15N HSQC' . . . 25809 1 3 '3D HNCA' . . . 25809 1 4 '3D HN(CO)CA' . . . 25809 1 5 '3D CBCA(CO)NH' . . . 25809 1 6 '3D HNCO' . . . 25809 1 7 '3D HCCH-TOCSY' . . . 25809 1 8 '3D H(C)CH-TOCSY' . . . 25809 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 25809 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.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 2 2 ILE HA H 1 4.191 0.0004 . . . . . . . 1 ILE HA . 25809 1 2 . 1 1 2 2 ILE HB H 1 1.768 0.0011 . . . . . . . 1 ILE HB . 25809 1 3 . 1 1 2 2 ILE HG12 H 1 1.437 0.0029 . . . . . . . 1 ILE HG12 . 25809 1 4 . 1 1 2 2 ILE HG13 H 1 1.153 0.0057 . . . . . . . 1 ILE HG13 . 25809 1 5 . 1 1 2 2 ILE HG21 H 1 0.8540 0.0045 . . . . . . . 1 ILE HG2 . 25809 1 6 . 1 1 2 2 ILE HG22 H 1 0.8540 0.0045 . . . . . . . 1 ILE HG2 . 25809 1 7 . 1 1 2 2 ILE HG23 H 1 0.8540 0.0045 . . . . . . . 1 ILE HG2 . 25809 1 8 . 1 1 2 2 ILE HD11 H 1 0.8262 0.0050 . . . . . . . 1 ILE HD . 25809 1 9 . 1 1 2 2 ILE HD12 H 1 0.8262 0.0050 . . . . . . . 1 ILE HD . 25809 1 10 . 1 1 2 2 ILE HD13 H 1 0.8262 0.0050 . . . . . . . 1 ILE HD . 25809 1 11 . 1 1 2 2 ILE C C 13 175.5 0.0000 . . . . . . . 1 ILE CO . 25809 1 12 . 1 1 2 2 ILE CA C 13 60.91 0.0349 . . . . . . . 1 ILE CA . 25809 1 13 . 1 1 2 2 ILE CB C 13 38.62 0.0787 . . . . . . . 1 ILE CB . 25809 1 14 . 1 1 2 2 ILE CG1 C 13 27.01 0.1353 . . . . . . . 1 ILE CG1 . 25809 1 15 . 1 1 2 2 ILE CG2 C 13 17.10 0.0878 . . . . . . . 1 ILE CG2 . 25809 1 16 . 1 1 2 2 ILE CD1 C 13 12.73 0.1326 . . . . . . . 1 ILE CD1 . 25809 1 17 . 1 1 3 3 GLN H H 1 8.293 0.0405 . . . . . . . 2 GLN HN . 25809 1 18 . 1 1 3 3 GLN HA H 1 4.636 0.0079 . . . . . . . 2 GLN HA . 25809 1 19 . 1 1 3 3 GLN HB2 H 1 2.087 0.0039 . . . . . . . 2 GLN HB . 25809 1 20 . 1 1 3 3 GLN HB3 H 1 2.087 0.0039 . . . . . . . 2 GLN HB . 25809 1 21 . 1 1 3 3 GLN HG2 H 1 2.546 0.0017 . . . . . . . 2 GLN HG2 . 25809 1 22 . 1 1 3 3 GLN HG3 H 1 2.382 0.0015 . . . . . . . 2 GLN HG3 . 25809 1 23 . 1 1 3 3 GLN HE21 H 1 7.349 0.0000 . . . . . . . 2 GLN HE21 . 25809 1 24 . 1 1 3 3 GLN HE22 H 1 6.624 0.0000 . . . . . . . 2 GLN HE22 . 25809 1 25 . 1 1 3 3 GLN C C 13 175.8 0.0000 . . . . . . . 2 GLN CO . 25809 1 26 . 1 1 3 3 GLN CA C 13 55.60 0.1131 . . . . . . . 2 GLN CA . 25809 1 27 . 1 1 3 3 GLN CB C 13 29.57 0.1394 . . . . . . . 2 GLN CB . 25809 1 28 . 1 1 3 3 GLN CG C 13 33.91 0.0741 . . . . . . . 2 GLN CG . 25809 1 29 . 1 1 3 3 GLN N N 15 123.7 0.2845 . . . . . . . 2 GLN N . 25809 1 30 . 1 1 3 3 GLN NE2 N 15 110.4 0.0005 . . . . . . . 2 GLN NE2 . 25809 1 31 . 1 1 4 4 ARG H H 1 9.283 0.0298 . . . . . . . 3 ARG HN . 25809 1 32 . 1 1 4 4 ARG HA H 1 4.816 0.0043 . . . . . . . 3 ARG HA . 25809 1 33 . 1 1 4 4 ARG HB2 H 1 2.207 0.0252 . . . . . . . 3 ARG HB2 . 25809 1 34 . 1 1 4 4 ARG HB3 H 1 1.829 0.0000 . . . . . . . 3 ARG HB3 . 25809 1 35 . 1 1 4 4 ARG HG2 H 1 1.716 0.0066 . . . . . . . 3 ARG HG2 . 25809 1 36 . 1 1 4 4 ARG HG3 H 1 1.609 0.0507 . . . . . . . 3 ARG HG3 . 25809 1 37 . 1 1 4 4 ARG HD2 H 1 3.118 0.0037 . . . . . . . 3 ARG HD2 . 25809 1 38 . 1 1 4 4 ARG HD3 H 1 3.056 0.0140 . . . . . . . 3 ARG HD3 . 25809 1 39 . 1 1 4 4 ARG C C 13 175.1 0.0000 . . . . . . . 3 ARG CO . 25809 1 40 . 1 1 4 4 ARG CA C 13 55.16 0.2240 . . . . . . . 3 ARG CA . 25809 1 41 . 1 1 4 4 ARG CB C 13 33.79 0.1087 . . . . . . . 3 ARG CB . 25809 1 42 . 1 1 4 4 ARG CG C 13 26.83 0.1381 . . . . . . . 3 ARG CG . 25809 1 43 . 1 1 4 4 ARG CD C 13 43.63 0.1099 . . . . . . . 3 ARG CD . 25809 1 44 . 1 1 4 4 ARG N N 15 123.1 0.2134 . . . . . . . 3 ARG N . 25809 1 45 . 1 1 5 5 THR H H 1 8.224 0.0290 . . . . . . . 4 THR HN . 25809 1 46 . 1 1 5 5 THR HA H 1 5.018 0.0000 . . . . . . . 4 THR HA . 25809 1 47 . 1 1 5 5 THR HB H 1 4.088 0.0000 . . . . . . . 4 THR HB . 25809 1 48 . 1 1 5 5 THR HG21 H 1 1.317 0.0005 . . . . . . . 4 THR HG2 . 25809 1 49 . 1 1 5 5 THR HG22 H 1 1.317 0.0005 . . . . . . . 4 THR HG2 . 25809 1 50 . 1 1 5 5 THR HG23 H 1 1.317 0.0005 . . . . . . . 4 THR HG2 . 25809 1 51 . 1 1 5 5 THR CA C 13 58.97 0.0703 . . . . . . . 4 THR CA . 25809 1 52 . 1 1 5 5 THR CB C 13 70.80 0.4849 . . . . . . . 4 THR CB . 25809 1 53 . 1 1 5 5 THR CG2 C 13 20.62 0.1128 . . . . . . . 4 THR CG2 . 25809 1 54 . 1 1 5 5 THR N N 15 119.5 0.1964 . . . . . . . 4 THR N . 25809 1 55 . 1 1 6 6 PRO HA H 1 4.426 0.0021 . . . . . . . 5 PRO HA . 25809 1 56 . 1 1 6 6 PRO HB2 H 1 1.539 0.0192 . . . . . . . 5 PRO HB . 25809 1 57 . 1 1 6 6 PRO HB3 H 1 1.539 0.0192 . . . . . . . 5 PRO HB . 25809 1 58 . 1 1 6 6 PRO HG2 H 1 1.678 0.0015 . . . . . . . 5 PRO HG2 . 25809 1 59 . 1 1 6 6 PRO HG3 H 1 1.124 0.0030 . . . . . . . 5 PRO HG3 . 25809 1 60 . 1 1 6 6 PRO HD2 H 1 3.659 0.0059 . . . . . . . 5 PRO HD . 25809 1 61 . 1 1 6 6 PRO HD3 H 1 3.659 0.0059 . . . . . . . 5 PRO HD . 25809 1 62 . 1 1 6 6 PRO C C 13 175.9 0.0000 . . . . . . . 5 PRO CO . 25809 1 63 . 1 1 6 6 PRO CA C 13 62.38 0.0964 . . . . . . . 5 PRO CA . 25809 1 64 . 1 1 6 6 PRO CB C 13 31.90 0.1151 . . . . . . . 5 PRO CB . 25809 1 65 . 1 1 6 6 PRO CG C 13 26.78 0.1550 . . . . . . . 5 PRO CG . 25809 1 66 . 1 1 6 6 PRO CD C 13 50.23 0.0773 . . . . . . . 5 PRO CD . 25809 1 67 . 1 1 7 7 LYS H H 1 9.118 0.0277 . . . . . . . 6 LYS HN . 25809 1 68 . 1 1 7 7 LYS HA H 1 4.510 0.0038 . . . . . . . 6 LYS HA . 25809 1 69 . 1 1 7 7 LYS HB2 H 1 1.781 0.0099 . . . . . . . 6 LYS HB . 25809 1 70 . 1 1 7 7 LYS HB3 H 1 1.781 0.0099 . . . . . . . 6 LYS HB . 25809 1 71 . 1 1 7 7 LYS HG2 H 1 1.516 0.0101 . . . . . . . 6 LYS HG2 . 25809 1 72 . 1 1 7 7 LYS HG3 H 1 1.399 0.0028 . . . . . . . 6 LYS HG3 . 25809 1 73 . 1 1 7 7 LYS HD2 H 1 1.689 0.0115 . . . . . . . 6 LYS HD . 25809 1 74 . 1 1 7 7 LYS HD3 H 1 1.689 0.0115 . . . . . . . 6 LYS HD . 25809 1 75 . 1 1 7 7 LYS HE2 H 1 2.993 0.0073 . . . . . . . 6 LYS HE . 25809 1 76 . 1 1 7 7 LYS HE3 H 1 2.993 0.0073 . . . . . . . 6 LYS HE . 25809 1 77 . 1 1 7 7 LYS C C 13 176.2 0.0000 . . . . . . . 6 LYS CO . 25809 1 78 . 1 1 7 7 LYS CA C 13 55.69 0.1876 . . . . . . . 6 LYS CA . 25809 1 79 . 1 1 7 7 LYS CB C 13 32.93 0.4414 . . . . . . . 6 LYS CB . 25809 1 80 . 1 1 7 7 LYS CG C 13 24.75 0.1425 . . . . . . . 6 LYS CG . 25809 1 81 . 1 1 7 7 LYS CD C 13 28.89 0.1233 . . . . . . . 6 LYS CD . 25809 1 82 . 1 1 7 7 LYS CE C 13 41.91 0.0356 . . . . . . . 6 LYS CE . 25809 1 83 . 1 1 7 7 LYS N N 15 124.4 0.1936 . . . . . . . 6 LYS N . 25809 1 84 . 1 1 8 8 ILE H H 1 8.341 0.0288 . . . . . . . 7 ILE HN . 25809 1 85 . 1 1 8 8 ILE HA H 1 4.784 0.0019 . . . . . . . 7 ILE HA . 25809 1 86 . 1 1 8 8 ILE HB H 1 1.655 0.0007 . . . . . . . 7 ILE HB . 25809 1 87 . 1 1 8 8 ILE HG21 H 1 0.7795 0.0056 . . . . . . . 7 ILE HG2 . 25809 1 88 . 1 1 8 8 ILE HG22 H 1 0.7795 0.0056 . . . . . . . 7 ILE HG2 . 25809 1 89 . 1 1 8 8 ILE HG23 H 1 0.7795 0.0056 . . . . . . . 7 ILE HG2 . 25809 1 90 . 1 1 8 8 ILE HD11 H 1 0.7300 0.0050 . . . . . . . 7 ILE HD . 25809 1 91 . 1 1 8 8 ILE HD12 H 1 0.7300 0.0050 . . . . . . . 7 ILE HD . 25809 1 92 . 1 1 8 8 ILE HD13 H 1 0.7300 0.0050 . . . . . . . 7 ILE HD . 25809 1 93 . 1 1 8 8 ILE C C 13 174.9 0.0000 . . . . . . . 7 ILE CO . 25809 1 94 . 1 1 8 8 ILE CA C 13 61.11 0.1338 . . . . . . . 7 ILE CA . 25809 1 95 . 1 1 8 8 ILE CB C 13 41.64 0.1221 . . . . . . . 7 ILE CB . 25809 1 96 . 1 1 8 8 ILE CG1 C 13 27.62 0.0435 . . . . . . . 7 ILE CG1 . 25809 1 97 . 1 1 8 8 ILE CG2 C 13 18.28 0.1152 . . . . . . . 7 ILE CG2 . 25809 1 98 . 1 1 8 8 ILE CD1 C 13 15.10 0.1376 . . . . . . . 7 ILE CD1 . 25809 1 99 . 1 1 8 8 ILE N N 15 124.5 0.2009 . . . . . . . 7 ILE N . 25809 1 100 . 1 1 9 9 GLN H H 1 8.975 0.0294 . . . . . . . 8 GLN HN . 25809 1 101 . 1 1 9 9 GLN HA H 1 4.941 0.0005 . . . . . . . 8 GLN HA . 25809 1 102 . 1 1 9 9 GLN HB2 H 1 2.381 0.0000 . . . . . . . 8 GLN HB2 . 25809 1 103 . 1 1 9 9 GLN HB3 H 1 2.284 0.0000 . . . . . . . 8 GLN HB3 . 25809 1 104 . 1 1 9 9 GLN HG2 H 1 2.459 0.0012 . . . . . . . 8 GLN HG2 . 25809 1 105 . 1 1 9 9 GLN HE21 H 1 7.463 0.0000 . . . . . . . 8 GLN HE21 . 25809 1 106 . 1 1 9 9 GLN HE22 H 1 6.726 0.0000 . . . . . . . 8 GLN HE22 . 25809 1 107 . 1 1 9 9 GLN C C 13 173.9 0.0000 . . . . . . . 8 GLN CO . 25809 1 108 . 1 1 9 9 GLN CA C 13 54.75 0.0250 . . . . . . . 8 GLN CA . 25809 1 109 . 1 1 9 9 GLN CB C 13 33.07 0.1793 . . . . . . . 8 GLN CB . 25809 1 110 . 1 1 9 9 GLN CG C 13 34.20 0.0885 . . . . . . . 8 GLN CG . 25809 1 111 . 1 1 9 9 GLN N N 15 127.1 0.1872 . . . . . . . 8 GLN N . 25809 1 112 . 1 1 9 9 GLN NE2 N 15 112.1 0.0690 . . . . . . . 8 GLN NE2 . 25809 1 113 . 1 1 10 10 VAL H H 1 8.988 0.0290 . . . . . . . 9 VAL HN . 25809 1 114 . 1 1 10 10 VAL HA H 1 5.354 0.0021 . . . . . . . 9 VAL HA . 25809 1 115 . 1 1 10 10 VAL HB H 1 2.048 0.0042 . . . . . . . 9 VAL HB . 25809 1 116 . 1 1 10 10 VAL HG11 H 1 0.9875 0.0033 . . . . . . . 9 VAL HG1 . 25809 1 117 . 1 1 10 10 VAL HG12 H 1 0.9875 0.0033 . . . . . . . 9 VAL HG1 . 25809 1 118 . 1 1 10 10 VAL HG13 H 1 0.9875 0.0033 . . . . . . . 9 VAL HG1 . 25809 1 119 . 1 1 10 10 VAL HG21 H 1 0.9237 0.0005 . . . . . . . 9 VAL HG2 . 25809 1 120 . 1 1 10 10 VAL HG22 H 1 0.9237 0.0005 . . . . . . . 9 VAL HG2 . 25809 1 121 . 1 1 10 10 VAL HG23 H 1 0.9237 0.0005 . . . . . . . 9 VAL HG2 . 25809 1 122 . 1 1 10 10 VAL C C 13 175.1 0.0000 . . . . . . . 9 VAL CO . 25809 1 123 . 1 1 10 10 VAL CA C 13 60.37 0.1332 . . . . . . . 9 VAL CA . 25809 1 124 . 1 1 10 10 VAL CB C 13 33.91 0.2076 . . . . . . . 9 VAL CB . 25809 1 125 . 1 1 10 10 VAL CG1 C 13 23.86 0.1822 . . . . . . . 9 VAL CG1 . 25809 1 126 . 1 1 10 10 VAL CG2 C 13 21.20 0.3662 . . . . . . . 9 VAL CG2 . 25809 1 127 . 1 1 10 10 VAL N N 15 125.3 0.2017 . . . . . . . 9 VAL N . 25809 1 128 . 1 1 11 11 TYR H H 1 8.399 0.0289 . . . . . . . 10 TYR HN . 25809 1 129 . 1 1 11 11 TYR HA H 1 5.322 0.0110 . . . . . . . 10 TYR HA . 25809 1 130 . 1 1 11 11 TYR HB3 H 1 3.208 0.0000 . . . . . . . 10 TYR HB3 . 25809 1 131 . 1 1 11 11 TYR C C 13 173.5 0.0000 . . . . . . . 10 TYR CO . 25809 1 132 . 1 1 11 11 TYR CA C 13 56.03 0.0753 . . . . . . . 10 TYR CA . 25809 1 133 . 1 1 11 11 TYR CB C 13 39.11 0.1117 . . . . . . . 10 TYR CB . 25809 1 134 . 1 1 11 11 TYR N N 15 122.6 0.1986 . . . . . . . 10 TYR N . 25809 1 135 . 1 1 12 12 SER H H 1 9.287 0.0295 . . . . . . . 11 SER HN . 25809 1 136 . 1 1 12 12 SER HA H 1 5.302 0.0030 . . . . . . . 11 SER HA . 25809 1 137 . 1 1 12 12 SER HB2 H 1 3.671 0.0000 . . . . . . . 11 SER HB2 . 25809 1 138 . 1 1 12 12 SER HB3 H 1 4.443 0.0000 . . . . . . . 11 SER HB3 . 25809 1 139 . 1 1 12 12 SER C C 13 174.6 0.0000 . . . . . . . 11 SER CO . 25809 1 140 . 1 1 12 12 SER CA C 13 56.26 0.1380 . . . . . . . 11 SER CA . 25809 1 141 . 1 1 12 12 SER CB C 13 64.94 0.1048 . . . . . . . 11 SER CB . 25809 1 142 . 1 1 12 12 SER N N 15 116.9 0.2171 . . . . . . . 11 SER N . 25809 1 143 . 1 1 13 13 ARG H H 1 8.805 0.0284 . . . . . . . 12 ARG HN . 25809 1 144 . 1 1 13 13 ARG HA H 1 3.926 0.0014 . . . . . . . 12 ARG HA . 25809 1 145 . 1 1 13 13 ARG HB2 H 1 1.952 0.0065 . . . . . . . 12 ARG HB2 . 25809 1 146 . 1 1 13 13 ARG HB3 H 1 1.787 0.0115 . . . . . . . 12 ARG HB3 . 25809 1 147 . 1 1 13 13 ARG HG2 H 1 1.507 0.0005 . . . . . . . 12 ARG HG2 . 25809 1 148 . 1 1 13 13 ARG C C 13 175.3 0.0000 . . . . . . . 12 ARG CO . 25809 1 149 . 1 1 13 13 ARG CA C 13 58.94 0.1870 . . . . . . . 12 ARG CA . 25809 1 150 . 1 1 13 13 ARG CB C 13 33.06 0.2970 . . . . . . . 12 ARG CB . 25809 1 151 . 1 1 13 13 ARG CG C 13 24.85 0.3001 . . . . . . . 12 ARG CG . 25809 1 152 . 1 1 13 13 ARG CD C 13 43.54 0.1527 . . . . . . . 12 ARG CD . 25809 1 153 . 1 1 13 13 ARG N N 15 123.0 0.2005 . . . . . . . 12 ARG N . 25809 1 154 . 1 1 14 14 HIS H H 1 8.247 0.0248 . . . . . . . 13 HIS HN . 25809 1 155 . 1 1 14 14 HIS HA H 1 5.349 0.0035 . . . . . . . 13 HIS HA . 25809 1 156 . 1 1 14 14 HIS HB2 H 1 3.255 0.0000 . . . . . . . 13 HIS HB2 . 25809 1 157 . 1 1 14 14 HIS HB3 H 1 2.919 0.0000 . . . . . . . 13 HIS HB3 . 25809 1 158 . 1 1 14 14 HIS CA C 13 52.36 0.2606 . . . . . . . 13 HIS CA . 25809 1 159 . 1 1 14 14 HIS CB C 13 30.19 0.0667 . . . . . . . 13 HIS CB . 25809 1 160 . 1 1 14 14 HIS N N 15 114.9 0.1998 . . . . . . . 13 HIS N . 25809 1 161 . 1 1 15 15 PRO HA H 1 4.535 0.0049 . . . . . . . 14 PRO HA . 25809 1 162 . 1 1 15 15 PRO HB2 H 1 2.436 0.0049 . . . . . . . 14 PRO HB2 . 25809 1 163 . 1 1 15 15 PRO HB3 H 1 1.952 0.0067 . . . . . . . 14 PRO HB3 . 25809 1 164 . 1 1 15 15 PRO HG2 H 1 2.244 0.0005 . . . . . . . 14 PRO HG2 . 25809 1 165 . 1 1 15 15 PRO HG3 H 1 2.101 0.0015 . . . . . . . 14 PRO HG3 . 25809 1 166 . 1 1 15 15 PRO CA C 13 63.81 0.1155 . . . . . . . 14 PRO CA . 25809 1 167 . 1 1 15 15 PRO CB C 13 31.46 0.1203 . . . . . . . 14 PRO CB . 25809 1 168 . 1 1 15 15 PRO CG C 13 27.83 0.1868 . . . . . . . 14 PRO CG . 25809 1 169 . 1 1 15 15 PRO CD C 13 50.63 0.0525 . . . . . . . 14 PRO CD . 25809 1 170 . 1 1 16 16 ALA HA H 1 4.110 0.0025 . . . . . . . 15 ALA HA . 25809 1 171 . 1 1 16 16 ALA HB1 H 1 1.695 0.0010 . . . . . . . 15 ALA HB . 25809 1 172 . 1 1 16 16 ALA HB2 H 1 1.695 0.0010 . . . . . . . 15 ALA HB . 25809 1 173 . 1 1 16 16 ALA HB3 H 1 1.695 0.0010 . . . . . . . 15 ALA HB . 25809 1 174 . 1 1 16 16 ALA C C 13 176.8 0.0000 . . . . . . . 15 ALA CO . 25809 1 175 . 1 1 16 16 ALA CA C 13 53.01 0.2825 . . . . . . . 15 ALA CA . 25809 1 176 . 1 1 16 16 ALA CB C 13 19.40 0.3754 . . . . . . . 15 ALA CB . 25809 1 177 . 1 1 17 17 GLU H H 1 8.803 0.0286 . . . . . . . 16 GLU HN . 25809 1 178 . 1 1 17 17 GLU HA H 1 4.408 0.0014 . . . . . . . 16 GLU HA . 25809 1 179 . 1 1 17 17 GLU HB2 H 1 1.878 0.0000 . . . . . . . 16 GLU HB . 25809 1 180 . 1 1 17 17 GLU HB3 H 1 1.878 0.0000 . . . . . . . 16 GLU HB . 25809 1 181 . 1 1 17 17 GLU HG3 H 1 2.168 0.0042 . . . . . . . 16 GLU HG3 . 25809 1 182 . 1 1 17 17 GLU C C 13 175.3 0.0000 . . . . . . . 16 GLU CO . 25809 1 183 . 1 1 17 17 GLU CA C 13 54.92 0.0712 . . . . . . . 16 GLU CA . 25809 1 184 . 1 1 17 17 GLU CB C 13 32.15 0.2665 . . . . . . . 16 GLU CB . 25809 1 185 . 1 1 17 17 GLU CG C 13 36.14 0.0747 . . . . . . . 16 GLU CG . 25809 1 186 . 1 1 17 17 GLU N N 15 124.3 0.1897 . . . . . . . 16 GLU N . 25809 1 187 . 1 1 18 18 ASN H H 1 8.687 0.0301 . . . . . . . 17 ASN HN . 25809 1 188 . 1 1 18 18 ASN HA H 1 4.497 0.0000 . . . . . . . 17 ASN HA . 25809 1 189 . 1 1 18 18 ASN HB2 H 1 2.895 0.0000 . . . . . . . 17 ASN HB2 . 25809 1 190 . 1 1 18 18 ASN HB3 H 1 2.690 0.0000 . . . . . . . 17 ASN HB3 . 25809 1 191 . 1 1 18 18 ASN HD21 H 1 7.489 0.0000 . . . . . . . 17 ASN HD21 . 25809 1 192 . 1 1 18 18 ASN HD22 H 1 7.037 0.0000 . . . . . . . 17 ASN HD22 . 25809 1 193 . 1 1 18 18 ASN C C 13 177.3 0.0000 . . . . . . . 17 ASN CO . 25809 1 194 . 1 1 18 18 ASN CA C 13 54.15 0.0477 . . . . . . . 17 ASN CA . 25809 1 195 . 1 1 18 18 ASN CB C 13 36.99 0.1535 . . . . . . . 17 ASN CB . 25809 1 196 . 1 1 18 18 ASN N N 15 123.1 0.2115 . . . . . . . 17 ASN N . 25809 1 197 . 1 1 18 18 ASN ND2 N 15 112.1 0.0485 . . . . . . . 17 ASN ND2 . 25809 1 198 . 1 1 19 19 GLY H H 1 8.759 0.0287 . . . . . . . 18 GLY HN . 25809 1 199 . 1 1 19 19 GLY HA2 H 1 4.183 0.0000 . . . . . . . 18 GLY HA2 . 25809 1 200 . 1 1 19 19 GLY HA3 H 1 3.540 0.0000 . . . . . . . 18 GLY HA3 . 25809 1 201 . 1 1 19 19 GLY C C 13 173.3 0.0000 . . . . . . . 18 GLY CO . 25809 1 202 . 1 1 19 19 GLY CA C 13 45.23 0.0713 . . . . . . . 18 GLY CA . 25809 1 203 . 1 1 19 19 GLY N N 15 109.1 0.1887 . . . . . . . 18 GLY N . 25809 1 204 . 1 1 20 20 LYS H H 1 7.771 0.0304 . . . . . . . 19 LYS HN . 25809 1 205 . 1 1 20 20 LYS HA H 1 4.674 0.0062 . . . . . . . 19 LYS HA . 25809 1 206 . 1 1 20 20 LYS HB3 H 1 1.780 0.0040 . . . . . . . 19 LYS HB3 . 25809 1 207 . 1 1 20 20 LYS HD2 H 1 1.639 0.0250 . . . . . . . 19 LYS HD2 . 25809 1 208 . 1 1 20 20 LYS C C 13 175.4 0.0000 . . . . . . . 19 LYS CO . 25809 1 209 . 1 1 20 20 LYS CA C 13 54.09 0.1542 . . . . . . . 19 LYS CA . 25809 1 210 . 1 1 20 20 LYS CB C 13 33.49 0.0780 . . . . . . . 19 LYS CB . 25809 1 211 . 1 1 20 20 LYS CG C 13 24.36 0.0480 . . . . . . . 19 LYS CG . 25809 1 212 . 1 1 20 20 LYS CD C 13 28.48 0.3463 . . . . . . . 19 LYS CD . 25809 1 213 . 1 1 20 20 LYS N N 15 121.1 0.2265 . . . . . . . 19 LYS N . 25809 1 214 . 1 1 21 21 SER H H 1 8.283 0.0287 . . . . . . . 20 SER HN . 25809 1 215 . 1 1 21 21 SER HA H 1 4.258 0.0005 . . . . . . . 20 SER HA . 25809 1 216 . 1 1 21 21 SER HB2 H 1 3.750 0.0010 . . . . . . . 20 SER HB2 . 25809 1 217 . 1 1 21 21 SER C C 13 173.4 0.0000 . . . . . . . 20 SER CO . 25809 1 218 . 1 1 21 21 SER CA C 13 59.73 0.2605 . . . . . . . 20 SER CA . 25809 1 219 . 1 1 21 21 SER CB C 13 63.02 0.1916 . . . . . . . 20 SER CB . 25809 1 220 . 1 1 21 21 SER N N 15 119.9 0.1969 . . . . . . . 20 SER N . 25809 1 221 . 1 1 22 22 ASN H H 1 8.837 0.0285 . . . . . . . 21 ASN HN . 25809 1 222 . 1 1 22 22 ASN HA H 1 4.885 0.0015 . . . . . . . 21 ASN HA . 25809 1 223 . 1 1 22 22 ASN HB3 H 1 2.556 0.0000 . . . . . . . 21 ASN HB3 . 25809 1 224 . 1 1 22 22 ASN HD21 H 1 7.683 0.0000 . . . . . . . 21 ASN HD21 . 25809 1 225 . 1 1 22 22 ASN HD22 H 1 7.395 0.0000 . . . . . . . 21 ASN HD22 . 25809 1 226 . 1 1 22 22 ASN C C 13 173.7 0.0000 . . . . . . . 21 ASN CO . 25809 1 227 . 1 1 22 22 ASN CA C 13 51.00 0.0292 . . . . . . . 21 ASN CA . 25809 1 228 . 1 1 22 22 ASN CB C 13 41.77 0.0533 . . . . . . . 21 ASN CB . 25809 1 229 . 1 1 22 22 ASN N N 15 126.7 0.1995 . . . . . . . 21 ASN N . 25809 1 230 . 1 1 22 22 ASN ND2 N 15 112.2 0.0050 . . . . . . . 21 ASN ND2 . 25809 1 231 . 1 1 23 23 PHE H H 1 10.28 0.0278 . . . . . . . 22 PHE HN . 25809 1 232 . 1 1 23 23 PHE HA H 1 5.441 0.0000 . . . . . . . 22 PHE HA . 25809 1 233 . 1 1 23 23 PHE HB3 H 1 2.649 0.0000 . . . . . . . 22 PHE HB3 . 25809 1 234 . 1 1 23 23 PHE C C 13 173.6 0.0000 . . . . . . . 22 PHE CO . 25809 1 235 . 1 1 23 23 PHE CA C 13 57.39 0.0660 . . . . . . . 22 PHE CA . 25809 1 236 . 1 1 23 23 PHE CB C 13 43.30 0.0762 . . . . . . . 22 PHE CB . 25809 1 237 . 1 1 23 23 PHE N N 15 119.8 0.1936 . . . . . . . 22 PHE N . 25809 1 238 . 1 1 24 24 LEU H H 1 8.926 0.0278 . . . . . . . 23 LEU HN . 25809 1 239 . 1 1 24 24 LEU HA H 1 3.694 0.0018 . . . . . . . 23 LEU HA . 25809 1 240 . 1 1 24 24 LEU HB2 H 1 0.8020 0.0020 . . . . . . . 23 LEU HB2 . 25809 1 241 . 1 1 24 24 LEU HB3 H 1 0.4130 1.2270 . . . . . . . 23 LEU HB3 . 25809 1 242 . 1 1 24 24 LEU HG H 1 0.5995 0.0005 . . . . . . . 23 LEU HG . 25809 1 243 . 1 1 24 24 LEU HD11 H 1 0.01275 0.0004 . . . . . . . 23 LEU HD . 25809 1 244 . 1 1 24 24 LEU HD12 H 1 0.01275 0.0004 . . . . . . . 23 LEU HD . 25809 1 245 . 1 1 24 24 LEU HD13 H 1 0.01275 0.0004 . . . . . . . 23 LEU HD . 25809 1 246 . 1 1 24 24 LEU HD21 H 1 0.01275 0.0004 . . . . . . . 23 LEU HD . 25809 1 247 . 1 1 24 24 LEU HD22 H 1 0.01275 0.0004 . . . . . . . 23 LEU HD . 25809 1 248 . 1 1 24 24 LEU HD23 H 1 0.01275 0.0004 . . . . . . . 23 LEU HD . 25809 1 249 . 1 1 24 24 LEU C C 13 173.3 0.0000 . . . . . . . 23 LEU CO . 25809 1 250 . 1 1 24 24 LEU CA C 13 52.98 0.0905 . . . . . . . 23 LEU CA . 25809 1 251 . 1 1 24 24 LEU CB C 13 41.43 0.0391 . . . . . . . 23 LEU CB . 25809 1 252 . 1 1 24 24 LEU CG C 13 25.81 0.1595 . . . . . . . 23 LEU CG . 25809 1 253 . 1 1 24 24 LEU CD1 C 13 25.91 0.0087 . . . . . . . 23 LEU CD1 . 25809 1 254 . 1 1 24 24 LEU CD2 C 13 21.04 1.1861 . . . . . . . 23 LEU CD2 . 25809 1 255 . 1 1 24 24 LEU N N 15 127.2 0.1941 . . . . . . . 23 LEU N . 25809 1 256 . 1 1 25 25 ASN H H 1 8.150 0.0295 . . . . . . . 24 ASN HN . 25809 1 257 . 1 1 25 25 ASN HA H 1 5.383 0.0000 . . . . . . . 24 ASN HA . 25809 1 258 . 1 1 25 25 ASN HB2 H 1 1.459 0.0000 . . . . . . . 24 ASN HB2 . 25809 1 259 . 1 1 25 25 ASN HB3 H 1 1.850 0.0000 . . . . . . . 24 ASN HB3 . 25809 1 260 . 1 1 25 25 ASN HD21 H 1 5.734 0.0000 . . . . . . . 24 ASN HD21 . 25809 1 261 . 1 1 25 25 ASN HD22 H 1 5.456 0.0000 . . . . . . . 24 ASN HD22 . 25809 1 262 . 1 1 25 25 ASN C C 13 173.4 0.0000 . . . . . . . 24 ASN CO . 25809 1 263 . 1 1 25 25 ASN CA C 13 51.39 0.0470 . . . . . . . 24 ASN CA . 25809 1 264 . 1 1 25 25 ASN CB C 13 41.26 0.0229 . . . . . . . 24 ASN CB . 25809 1 265 . 1 1 25 25 ASN N N 15 121.7 0.1967 . . . . . . . 24 ASN N . 25809 1 266 . 1 1 25 25 ASN ND2 N 15 107.4 0.0460 . . . . . . . 24 ASN ND2 . 25809 1 267 . 1 1 26 26 CYS H H 1 9.564 0.0281 . . . . . . . 25 CYS HN . 25809 1 268 . 1 1 26 26 CYS HA H 1 5.164 0.0010 . . . . . . . 25 CYS HA . 25809 1 269 . 1 1 26 26 CYS HB2 H 1 3.294 0.0000 . . . . . . . 25 CYS HB2 . 25809 1 270 . 1 1 26 26 CYS C C 13 171.5 0.0000 . . . . . . . 25 CYS CO . 25809 1 271 . 1 1 26 26 CYS CA C 13 53.77 0.0575 . . . . . . . 25 CYS CA . 25809 1 272 . 1 1 26 26 CYS CB C 13 41.30 0.0556 . . . . . . . 25 CYS CB . 25809 1 273 . 1 1 26 26 CYS N N 15 120.9 0.1971 . . . . . . . 25 CYS N . 25809 1 274 . 1 1 27 27 TYR H H 1 9.615 0.0286 . . . . . . . 26 TYR HN . 25809 1 275 . 1 1 27 27 TYR HA H 1 5.455 0.0000 . . . . . . . 26 TYR HA . 25809 1 276 . 1 1 27 27 TYR HB2 H 1 3.231 0.0000 . . . . . . . 26 TYR HB . 25809 1 277 . 1 1 27 27 TYR HB3 H 1 3.231 0.0000 . . . . . . . 26 TYR HB . 25809 1 278 . 1 1 27 27 TYR C C 13 174.4 0.0000 . . . . . . . 26 TYR CO . 25809 1 279 . 1 1 27 27 TYR CA C 13 56.02 0.0761 . . . . . . . 26 TYR CA . 25809 1 280 . 1 1 27 27 TYR CB C 13 40.75 0.0269 . . . . . . . 26 TYR CB . 25809 1 281 . 1 1 27 27 TYR N N 15 129.9 0.1977 . . . . . . . 26 TYR N . 25809 1 282 . 1 1 28 28 VAL H H 1 8.826 0.0285 . . . . . . . 27 VAL HN . 25809 1 283 . 1 1 28 28 VAL HA H 1 5.199 0.0016 . . . . . . . 27 VAL HA . 25809 1 284 . 1 1 28 28 VAL HB H 1 1.940 0.0000 . . . . . . . 27 VAL HB . 25809 1 285 . 1 1 28 28 VAL HG11 H 1 0.7610 0.0000 . . . . . . . 27 VAL HG1 . 25809 1 286 . 1 1 28 28 VAL HG12 H 1 0.7610 0.0000 . . . . . . . 27 VAL HG1 . 25809 1 287 . 1 1 28 28 VAL HG13 H 1 0.7610 0.0000 . . . . . . . 27 VAL HG1 . 25809 1 288 . 1 1 28 28 VAL HG21 H 1 0.9230 0.0007 . . . . . . . 27 VAL HG2 . 25809 1 289 . 1 1 28 28 VAL HG22 H 1 0.9230 0.0007 . . . . . . . 27 VAL HG2 . 25809 1 290 . 1 1 28 28 VAL HG23 H 1 0.9230 0.0007 . . . . . . . 27 VAL HG2 . 25809 1 291 . 1 1 28 28 VAL C C 13 174.6 0.0000 . . . . . . . 27 VAL CO . 25809 1 292 . 1 1 28 28 VAL CA C 13 59.76 0.0456 . . . . . . . 27 VAL CA . 25809 1 293 . 1 1 28 28 VAL CB C 13 33.27 0.1123 . . . . . . . 27 VAL CB . 25809 1 294 . 1 1 28 28 VAL CG1 C 13 23.33 0.1132 . . . . . . . 27 VAL CG1 . 25809 1 295 . 1 1 28 28 VAL CG2 C 13 21.88 0.6113 . . . . . . . 27 VAL CG2 . 25809 1 296 . 1 1 28 28 VAL N N 15 129.3 0.1981 . . . . . . . 27 VAL N . 25809 1 297 . 1 1 29 29 SER H H 1 9.050 0.0327 . . . . . . . 28 SER HN . 25809 1 298 . 1 1 29 29 SER HA H 1 5.559 0.0000 . . . . . . . 28 SER HA . 25809 1 299 . 1 1 29 29 SER HB2 H 1 3.894 0.0000 . . . . . . . 28 SER HB2 . 25809 1 300 . 1 1 29 29 SER C C 13 174.5 0.0000 . . . . . . . 28 SER CO . 25809 1 301 . 1 1 29 29 SER CA C 13 57.00 0.0851 . . . . . . . 28 SER CA . 25809 1 302 . 1 1 29 29 SER CB C 13 67.43 0.0907 . . . . . . . 28 SER CB . 25809 1 303 . 1 1 29 29 SER N N 15 117.8 0.2547 . . . . . . . 28 SER N . 25809 1 304 . 1 1 30 30 GLY H H 1 8.121 0.0278 . . . . . . . 29 GLY HN . 25809 1 305 . 1 1 30 30 GLY HA3 H 1 3.888 0.0000 . . . . . . . 29 GLY HA3 . 25809 1 306 . 1 1 30 30 GLY C C 13 173.4 0.0000 . . . . . . . 29 GLY CO . 25809 1 307 . 1 1 30 30 GLY CA C 13 46.14 0.0339 . . . . . . . 29 GLY CA . 25809 1 308 . 1 1 30 30 GLY N N 15 107.9 0.1848 . . . . . . . 29 GLY N . 25809 1 309 . 1 1 31 31 PHE H H 1 7.149 0.0330 . . . . . . . 30 PHE HN . 25809 1 310 . 1 1 31 31 PHE HA H 1 4.875 0.0000 . . . . . . . 30 PHE HA . 25809 1 311 . 1 1 31 31 PHE HB2 H 1 2.342 0.0000 . . . . . . . 30 PHE HB2 . 25809 1 312 . 1 1 31 31 PHE HB3 H 1 2.007 0.0000 . . . . . . . 30 PHE HB3 . 25809 1 313 . 1 1 31 31 PHE C C 13 174.4 0.0000 . . . . . . . 30 PHE CO . 25809 1 314 . 1 1 31 31 PHE CA C 13 53.66 0.0862 . . . . . . . 30 PHE CA . 25809 1 315 . 1 1 31 31 PHE CB C 13 41.76 0.1006 . . . . . . . 30 PHE CB . 25809 1 316 . 1 1 31 31 PHE N N 15 111.3 0.2130 . . . . . . . 30 PHE N . 25809 1 317 . 1 1 32 32 HIS H H 1 8.558 0.0299 . . . . . . . 31 HIS HN . 25809 1 318 . 1 1 32 32 HIS HB3 H 1 3.163 0.0000 . . . . . . . 31 HIS HB3 . 25809 1 319 . 1 1 32 32 HIS CA C 13 57.67 0.0000 . . . . . . . 31 HIS CA . 25809 1 320 . 1 1 32 32 HIS CB C 13 33.78 0.0000 . . . . . . . 31 HIS CB . 25809 1 321 . 1 1 32 32 HIS N N 15 119.9 0.2094 . . . . . . . 31 HIS N . 25809 1 322 . 1 1 33 33 PRO HA H 1 3.805 0.0005 . . . . . . . 32 PRO HA . 25809 1 323 . 1 1 33 33 PRO HG2 H 1 2.047 0.0022 . . . . . . . 32 PRO HG2 . 25809 1 324 . 1 1 33 33 PRO HG3 H 1 1.702 0.0025 . . . . . . . 32 PRO HG3 . 25809 1 325 . 1 1 33 33 PRO HD2 H 1 3.738 0.0010 . . . . . . . 32 PRO HD2 . 25809 1 326 . 1 1 33 33 PRO HD3 H 1 3.629 0.0000 . . . . . . . 32 PRO HD3 . 25809 1 327 . 1 1 33 33 PRO C C 13 176.8 0.0000 . . . . . . . 32 PRO CO . 25809 1 328 . 1 1 33 33 PRO CA C 13 62.48 0.0726 . . . . . . . 32 PRO CA . 25809 1 329 . 1 1 33 33 PRO CB C 13 34.76 0.0235 . . . . . . . 32 PRO CB . 25809 1 330 . 1 1 33 33 PRO CG C 13 24.80 0.0841 . . . . . . . 32 PRO CG . 25809 1 331 . 1 1 33 33 PRO CD C 13 50.27 0.1358 . . . . . . . 32 PRO CD . 25809 1 332 . 1 1 34 34 SER H H 1 8.266 0.0314 . . . . . . . 33 SER HN . 25809 1 333 . 1 1 34 34 SER HA H 1 3.599 0.0005 . . . . . . . 33 SER HA . 25809 1 334 . 1 1 34 34 SER HB2 H 1 3.295 0.0000 . . . . . . . 33 SER HB2 . 25809 1 335 . 1 1 34 34 SER HB3 H 1 1.981 0.0030 . . . . . . . 33 SER HB3 . 25809 1 336 . 1 1 34 34 SER C C 13 173.6 0.0000 . . . . . . . 33 SER CO . 25809 1 337 . 1 1 34 34 SER CA C 13 60.49 0.1275 . . . . . . . 33 SER CA . 25809 1 338 . 1 1 34 34 SER CB C 13 62.34 0.1479 . . . . . . . 33 SER CB . 25809 1 339 . 1 1 34 34 SER N N 15 112.4 0.2044 . . . . . . . 33 SER N . 25809 1 340 . 1 1 35 35 ASP H H 1 7.162 0.0294 . . . . . . . 34 ASP HN . 25809 1 341 . 1 1 35 35 ASP HA H 1 4.403 0.0000 . . . . . . . 34 ASP HA . 25809 1 342 . 1 1 35 35 ASP HB2 H 1 2.453 0.0000 . . . . . . . 34 ASP HB2 . 25809 1 343 . 1 1 35 35 ASP HB3 H 1 2.361 0.0000 . . . . . . . 34 ASP HB3 . 25809 1 344 . 1 1 35 35 ASP C C 13 174.1 0.0000 . . . . . . . 34 ASP CO . 25809 1 345 . 1 1 35 35 ASP CA C 13 54.73 0.0455 . . . . . . . 34 ASP CA . 25809 1 346 . 1 1 35 35 ASP CB C 13 40.38 0.0595 . . . . . . . 34 ASP CB . 25809 1 347 . 1 1 35 35 ASP N N 15 120.1 0.1933 . . . . . . . 34 ASP N . 25809 1 348 . 1 1 36 36 ILE H H 1 7.872 0.0288 . . . . . . . 35 ILE HN . 25809 1 349 . 1 1 36 36 ILE HA H 1 4.551 0.0010 . . . . . . . 35 ILE HA . 25809 1 350 . 1 1 36 36 ILE HB H 1 1.399 0.0036 . . . . . . . 35 ILE HB . 25809 1 351 . 1 1 36 36 ILE HG21 H 1 0.5673 0.0042 . . . . . . . 35 ILE HG2 . 25809 1 352 . 1 1 36 36 ILE HG22 H 1 0.5673 0.0042 . . . . . . . 35 ILE HG2 . 25809 1 353 . 1 1 36 36 ILE HG23 H 1 0.5673 0.0042 . . . . . . . 35 ILE HG2 . 25809 1 354 . 1 1 36 36 ILE C C 13 171.8 0.0000 . . . . . . . 35 ILE CO . 25809 1 355 . 1 1 36 36 ILE CA C 13 60.67 0.0711 . . . . . . . 35 ILE CA . 25809 1 356 . 1 1 36 36 ILE CB C 13 40.76 0.0637 . . . . . . . 35 ILE CB . 25809 1 357 . 1 1 36 36 ILE CG1 C 13 28.49 0.0728 . . . . . . . 35 ILE CG1 . 25809 1 358 . 1 1 36 36 ILE CG2 C 13 15.01 0.1571 . . . . . . . 35 ILE CG2 . 25809 1 359 . 1 1 36 36 ILE CD1 C 13 12.73 0.0589 . . . . . . . 35 ILE CD1 . 25809 1 360 . 1 1 36 36 ILE N N 15 123.6 0.2033 . . . . . . . 35 ILE N . 25809 1 361 . 1 1 37 37 GLU H H 1 7.925 0.0319 . . . . . . . 36 GLU HN . 25809 1 362 . 1 1 37 37 GLU HB2 H 1 1.955 0.0050 . . . . . . . 36 GLU HB . 25809 1 363 . 1 1 37 37 GLU HB3 H 1 1.955 0.0050 . . . . . . . 36 GLU HB . 25809 1 364 . 1 1 37 37 GLU HG2 H 1 2.080 0.0022 . . . . . . . 36 GLU HG . 25809 1 365 . 1 1 37 37 GLU HG3 H 1 2.080 0.0022 . . . . . . . 36 GLU HG . 25809 1 366 . 1 1 37 37 GLU C C 13 174.3 0.0000 . . . . . . . 36 GLU CO . 25809 1 367 . 1 1 37 37 GLU CA C 13 54.77 0.1355 . . . . . . . 36 GLU CA . 25809 1 368 . 1 1 37 37 GLU CB C 13 32.24 0.2525 . . . . . . . 36 GLU CB . 25809 1 369 . 1 1 37 37 GLU CG C 13 35.84 0.1228 . . . . . . . 36 GLU CG . 25809 1 370 . 1 1 37 37 GLU N N 15 125.4 0.2280 . . . . . . . 36 GLU N . 25809 1 371 . 1 1 38 38 VAL H H 1 7.896 0.0334 . . . . . . . 37 VAL HN . 25809 1 372 . 1 1 38 38 VAL HA H 1 4.646 0.0065 . . . . . . . 37 VAL HA . 25809 1 373 . 1 1 38 38 VAL HB H 1 0.4560 0.0070 . . . . . . . 37 VAL HB . 25809 1 374 . 1 1 38 38 VAL HG11 H 1 0.2510 0.0064 . . . . . . . 37 VAL HG1 . 25809 1 375 . 1 1 38 38 VAL HG12 H 1 0.2510 0.0064 . . . . . . . 37 VAL HG1 . 25809 1 376 . 1 1 38 38 VAL HG13 H 1 0.2510 0.0064 . . . . . . . 37 VAL HG1 . 25809 1 377 . 1 1 38 38 VAL HG21 H 1 0.4940 0.0000 . . . . . . . 37 VAL HG2 . 25809 1 378 . 1 1 38 38 VAL HG22 H 1 0.4940 0.0000 . . . . . . . 37 VAL HG2 . 25809 1 379 . 1 1 38 38 VAL HG23 H 1 0.4940 0.0000 . . . . . . . 37 VAL HG2 . 25809 1 380 . 1 1 38 38 VAL C C 13 173.5 0.0000 . . . . . . . 37 VAL CO . 25809 1 381 . 1 1 38 38 VAL CA C 13 60.57 0.1234 . . . . . . . 37 VAL CA . 25809 1 382 . 1 1 38 38 VAL CB C 13 33.86 0.0836 . . . . . . . 37 VAL CB . 25809 1 383 . 1 1 38 38 VAL CG1 C 13 21.34 0.0553 . . . . . . . 37 VAL CG1 . 25809 1 384 . 1 1 38 38 VAL CG2 C 13 21.49 0.1349 . . . . . . . 37 VAL CG2 . 25809 1 385 . 1 1 38 38 VAL N N 15 125.1 0.2211 . . . . . . . 37 VAL N . 25809 1 386 . 1 1 39 39 ASP H H 1 8.784 0.0274 . . . . . . . 38 ASP HN . 25809 1 387 . 1 1 39 39 ASP HA H 1 4.965 0.0020 . . . . . . . 38 ASP HA . 25809 1 388 . 1 1 39 39 ASP HB2 H 1 2.404 0.0000 . . . . . . . 38 ASP HB2 . 25809 1 389 . 1 1 39 39 ASP HB3 H 1 2.184 0.0000 . . . . . . . 38 ASP HB3 . 25809 1 390 . 1 1 39 39 ASP C C 13 174.4 0.0000 . . . . . . . 38 ASP CO . 25809 1 391 . 1 1 39 39 ASP CA C 13 52.44 0.0678 . . . . . . . 38 ASP CA . 25809 1 392 . 1 1 39 39 ASP CB C 13 45.81 0.0494 . . . . . . . 38 ASP CB . 25809 1 393 . 1 1 39 39 ASP N N 15 122.8 0.1950 . . . . . . . 38 ASP N . 25809 1 394 . 1 1 40 40 LEU H H 1 8.994 0.0296 . . . . . . . 39 LEU HN . 25809 1 395 . 1 1 40 40 LEU C C 13 174.6 0.0000 . . . . . . . 39 LEU CO . 25809 1 396 . 1 1 40 40 LEU CA C 13 53.48 0.0911 . . . . . . . 39 LEU CA . 25809 1 397 . 1 1 40 40 LEU CB C 13 43.56 0.0000 . . . . . . . 39 LEU CB . 25809 1 398 . 1 1 40 40 LEU N N 15 121.2 0.2054 . . . . . . . 39 LEU N . 25809 1 399 . 1 1 41 41 LEU H H 1 8.909 0.0297 . . . . . . . 40 LEU HN . 25809 1 400 . 1 1 41 41 LEU C C 13 175.5 0.0000 . . . . . . . 40 LEU CO . 25809 1 401 . 1 1 41 41 LEU CA C 13 52.74 0.1667 . . . . . . . 40 LEU CA . 25809 1 402 . 1 1 41 41 LEU CB C 13 45.48 0.0000 . . . . . . . 40 LEU CB . 25809 1 403 . 1 1 41 41 LEU N N 15 120.3 0.2173 . . . . . . . 40 LEU N . 25809 1 404 . 1 1 42 42 LYS H H 1 8.769 0.0281 . . . . . . . 41 LYS HN . 25809 1 405 . 1 1 42 42 LYS HB2 H 1 1.761 0.0000 . . . . . . . 41 LYS HB2 . 25809 1 406 . 1 1 42 42 LYS HG2 H 1 0.8320 0.0127 . . . . . . . 41 LYS HG2 . 25809 1 407 . 1 1 42 42 LYS HE2 H 1 2.947 0.0000 . . . . . . . 41 LYS HE . 25809 1 408 . 1 1 42 42 LYS HE3 H 1 2.947 0.0000 . . . . . . . 41 LYS HE . 25809 1 409 . 1 1 42 42 LYS C C 13 176.4 0.0000 . . . . . . . 41 LYS CO . 25809 1 410 . 1 1 42 42 LYS CA C 13 54.06 0.1111 . . . . . . . 41 LYS CA . 25809 1 411 . 1 1 42 42 LYS CB C 13 33.77 0.2185 . . . . . . . 41 LYS CB . 25809 1 412 . 1 1 42 42 LYS CG C 13 25.59 0.0833 . . . . . . . 41 LYS CG . 25809 1 413 . 1 1 42 42 LYS CE C 13 42.28 0.0065 . . . . . . . 41 LYS CE . 25809 1 414 . 1 1 42 42 LYS N N 15 121.0 0.2187 . . . . . . . 41 LYS N . 25809 1 415 . 1 1 43 43 ASN H H 1 9.674 0.0309 . . . . . . . 42 ASN HN . 25809 1 416 . 1 1 43 43 ASN HA H 1 4.364 0.0000 . . . . . . . 42 ASN HA . 25809 1 417 . 1 1 43 43 ASN HD21 H 1 7.881 0.0000 . . . . . . . 42 ASN HD21 . 25809 1 418 . 1 1 43 43 ASN HD22 H 1 7.628 0.0000 . . . . . . . 42 ASN HD22 . 25809 1 419 . 1 1 43 43 ASN C C 13 175.6 0.0000 . . . . . . . 42 ASN CO . 25809 1 420 . 1 1 43 43 ASN CA C 13 54.29 0.0523 . . . . . . . 42 ASN CA . 25809 1 421 . 1 1 43 43 ASN CB C 13 36.99 0.0155 . . . . . . . 42 ASN CB . 25809 1 422 . 1 1 43 43 ASN N N 15 128.2 0.2088 . . . . . . . 42 ASN N . 25809 1 423 . 1 1 43 43 ASN ND2 N 15 117.5 0.0055 . . . . . . . 42 ASN ND2 . 25809 1 424 . 1 1 44 44 GLY H H 1 8.744 0.0282 . . . . . . . 43 GLY HN . 25809 1 425 . 1 1 44 44 GLY HA3 H 1 3.330 0.0000 . . . . . . . 43 GLY HA3 . 25809 1 426 . 1 1 44 44 GLY C C 13 173.1 0.0000 . . . . . . . 43 GLY CO . 25809 1 427 . 1 1 44 44 GLY CA C 13 45.23 0.0661 . . . . . . . 43 GLY CA . 25809 1 428 . 1 1 44 44 GLY N N 15 102.4 0.1975 . . . . . . . 43 GLY N . 25809 1 429 . 1 1 45 45 GLU H H 1 7.826 0.0735 . . . . . . . 44 GLU HN . 25809 1 430 . 1 1 45 45 GLU HA H 1 4.588 0.0015 . . . . . . . 44 GLU HA . 25809 1 431 . 1 1 45 45 GLU HB2 H 1 2.043 0.0000 . . . . . . . 44 GLU HB2 . 25809 1 432 . 1 1 45 45 GLU HG2 H 1 2.369 0.0055 . . . . . . . 44 GLU HG2 . 25809 1 433 . 1 1 45 45 GLU HG3 H 1 2.171 0.0000 . . . . . . . 44 GLU HG3 . 25809 1 434 . 1 1 45 45 GLU C C 13 175.7 0.0000 . . . . . . . 44 GLU CO . 25809 1 435 . 1 1 45 45 GLU CA C 13 54.36 0.2360 . . . . . . . 44 GLU CA . 25809 1 436 . 1 1 45 45 GLU CB C 13 31.57 0.0462 . . . . . . . 44 GLU CB . 25809 1 437 . 1 1 45 45 GLU CG C 13 36.31 0.1738 . . . . . . . 44 GLU CG . 25809 1 438 . 1 1 45 45 GLU N N 15 121.1 0.2402 . . . . . . . 44 GLU N . 25809 1 439 . 1 1 46 46 ARG H H 1 8.599 0.0287 . . . . . . . 45 ARG HN . 25809 1 440 . 1 1 46 46 ARG C C 13 176.3 0.0000 . . . . . . . 45 ARG CO . 25809 1 441 . 1 1 46 46 ARG CA C 13 57.49 0.0311 . . . . . . . 45 ARG CA . 25809 1 442 . 1 1 46 46 ARG CB C 13 30.27 0.0000 . . . . . . . 45 ARG CB . 25809 1 443 . 1 1 46 46 ARG N N 15 124.5 0.2068 . . . . . . . 45 ARG N . 25809 1 444 . 1 1 47 47 ILE H H 1 8.733 0.0295 . . . . . . . 46 ILE HN . 25809 1 445 . 1 1 47 47 ILE HA H 1 3.986 0.0024 . . . . . . . 46 ILE HA . 25809 1 446 . 1 1 47 47 ILE HB H 1 1.539 0.0026 . . . . . . . 46 ILE HB . 25809 1 447 . 1 1 47 47 ILE HG12 H 1 1.694 0.0000 . . . . . . . 46 ILE HG12 . 25809 1 448 . 1 1 47 47 ILE HG13 H 1 1.034 0.0000 . . . . . . . 46 ILE HG13 . 25809 1 449 . 1 1 47 47 ILE HG21 H 1 0.9703 0.0060 . . . . . . . 46 ILE HG2 . 25809 1 450 . 1 1 47 47 ILE HG22 H 1 0.9703 0.0060 . . . . . . . 46 ILE HG2 . 25809 1 451 . 1 1 47 47 ILE HG23 H 1 0.9703 0.0060 . . . . . . . 46 ILE HG2 . 25809 1 452 . 1 1 47 47 ILE HD11 H 1 0.8557 0.0054 . . . . . . . 46 ILE HD . 25809 1 453 . 1 1 47 47 ILE HD12 H 1 0.8557 0.0054 . . . . . . . 46 ILE HD . 25809 1 454 . 1 1 47 47 ILE HD13 H 1 0.8557 0.0054 . . . . . . . 46 ILE HD . 25809 1 455 . 1 1 47 47 ILE C C 13 176.1 0.0000 . . . . . . . 46 ILE CO . 25809 1 456 . 1 1 47 47 ILE CA C 13 61.67 0.0754 . . . . . . . 46 ILE CA . 25809 1 457 . 1 1 47 47 ILE CB C 13 38.54 0.0640 . . . . . . . 46 ILE CB . 25809 1 458 . 1 1 47 47 ILE CG1 C 13 27.91 0.1664 . . . . . . . 46 ILE CG1 . 25809 1 459 . 1 1 47 47 ILE CG2 C 13 17.65 0.1518 . . . . . . . 46 ILE CG2 . 25809 1 460 . 1 1 47 47 ILE CD1 C 13 13.61 0.1789 . . . . . . . 46 ILE CD1 . 25809 1 461 . 1 1 47 47 ILE N N 15 128.5 0.2187 . . . . . . . 46 ILE N . 25809 1 462 . 1 1 48 48 GLU H H 1 8.425 0.0286 . . . . . . . 47 GLU HN . 25809 1 463 . 1 1 48 48 GLU HA H 1 4.218 0.0000 . . . . . . . 47 GLU HA . 25809 1 464 . 1 1 48 48 GLU HG2 H 1 2.270 0.0179 . . . . . . . 47 GLU HG2 . 25809 1 465 . 1 1 48 48 GLU HG3 H 1 2.356 0.0035 . . . . . . . 47 GLU HG3 . 25809 1 466 . 1 1 48 48 GLU C C 13 177.2 0.0000 . . . . . . . 47 GLU CO . 25809 1 467 . 1 1 48 48 GLU CA C 13 58.51 0.0934 . . . . . . . 47 GLU CA . 25809 1 468 . 1 1 48 48 GLU CB C 13 30.11 0.1030 . . . . . . . 47 GLU CB . 25809 1 469 . 1 1 48 48 GLU CG C 13 36.16 0.1690 . . . . . . . 47 GLU CG . 25809 1 470 . 1 1 48 48 GLU N N 15 126.4 0.2014 . . . . . . . 47 GLU N . 25809 1 471 . 1 1 49 49 LYS H H 1 7.904 0.0288 . . . . . . . 48 LYS HN . 25809 1 472 . 1 1 49 49 LYS HA H 1 4.522 0.0000 . . . . . . . 48 LYS HA . 25809 1 473 . 1 1 49 49 LYS HB2 H 1 1.941 0.0033 . . . . . . . 48 LYS HB2 . 25809 1 474 . 1 1 49 49 LYS HB3 H 1 1.781 0.0017 . . . . . . . 48 LYS HB3 . 25809 1 475 . 1 1 49 49 LYS HD2 H 1 1.726 0.0000 . . . . . . . 48 LYS HD . 25809 1 476 . 1 1 49 49 LYS HD3 H 1 1.726 0.0000 . . . . . . . 48 LYS HD . 25809 1 477 . 1 1 49 49 LYS C C 13 174.5 0.0000 . . . . . . . 48 LYS CO . 25809 1 478 . 1 1 49 49 LYS CA C 13 55.60 0.0650 . . . . . . . 48 LYS CA . 25809 1 479 . 1 1 49 49 LYS CB C 13 30.77 0.1140 . . . . . . . 48 LYS CB . 25809 1 480 . 1 1 49 49 LYS CG C 13 24.49 0.0000 . . . . . . . 48 LYS CG . 25809 1 481 . 1 1 49 49 LYS CD C 13 29.02 0.0000 . . . . . . . 48 LYS CD . 25809 1 482 . 1 1 49 49 LYS CE C 13 42.01 0.0120 . . . . . . . 48 LYS CE . 25809 1 483 . 1 1 49 49 LYS N N 15 119.6 0.1976 . . . . . . . 48 LYS N . 25809 1 484 . 1 1 50 50 VAL H H 1 7.761 0.0274 . . . . . . . 49 VAL HN . 25809 1 485 . 1 1 50 50 VAL HA H 1 4.404 0.0009 . . . . . . . 49 VAL HA . 25809 1 486 . 1 1 50 50 VAL HB H 1 2.123 0.0000 . . . . . . . 49 VAL HB . 25809 1 487 . 1 1 50 50 VAL HG11 H 1 1.093 0.0005 . . . . . . . 49 VAL HG1 . 25809 1 488 . 1 1 50 50 VAL HG12 H 1 1.093 0.0005 . . . . . . . 49 VAL HG1 . 25809 1 489 . 1 1 50 50 VAL HG13 H 1 1.093 0.0005 . . . . . . . 49 VAL HG1 . 25809 1 490 . 1 1 50 50 VAL HG21 H 1 1.037 0.0012 . . . . . . . 49 VAL HG2 . 25809 1 491 . 1 1 50 50 VAL HG22 H 1 1.037 0.0012 . . . . . . . 49 VAL HG2 . 25809 1 492 . 1 1 50 50 VAL HG23 H 1 1.037 0.0012 . . . . . . . 49 VAL HG2 . 25809 1 493 . 1 1 50 50 VAL C C 13 174.7 0.0000 . . . . . . . 49 VAL CO . 25809 1 494 . 1 1 50 50 VAL CA C 13 60.64 0.0961 . . . . . . . 49 VAL CA . 25809 1 495 . 1 1 50 50 VAL CB C 13 34.49 0.1587 . . . . . . . 49 VAL CB . 25809 1 496 . 1 1 50 50 VAL CG1 C 13 22.36 0.0099 . . . . . . . 49 VAL CG1 . 25809 1 497 . 1 1 50 50 VAL CG2 C 13 21.31 0.1404 . . . . . . . 49 VAL CG2 . 25809 1 498 . 1 1 50 50 VAL N N 15 121.8 0.2124 . . . . . . . 49 VAL N . 25809 1 499 . 1 1 51 51 GLU H H 1 8.384 0.0278 . . . . . . . 50 GLU HN . 25809 1 500 . 1 1 51 51 GLU HA H 1 4.475 0.0024 . . . . . . . 50 GLU HA . 25809 1 501 . 1 1 51 51 GLU HB2 H 1 0.7625 0.0000 . . . . . . . 50 GLU HB2 . 25809 1 502 . 1 1 51 51 GLU HB3 H 1 0.7625 0.0005 . . . . . . . 50 GLU HB3 . 25809 1 503 . 1 1 51 51 GLU C C 13 174.2 0.0000 . . . . . . . 50 GLU CO . 25809 1 504 . 1 1 51 51 GLU CA C 13 54.12 0.0617 . . . . . . . 50 GLU CA . 25809 1 505 . 1 1 51 51 GLU CB C 13 32.10 0.1421 . . . . . . . 50 GLU CB . 25809 1 506 . 1 1 51 51 GLU CG C 13 36.04 0.0827 . . . . . . . 50 GLU CG . 25809 1 507 . 1 1 51 51 GLU N N 15 125.0 0.2046 . . . . . . . 50 GLU N . 25809 1 508 . 1 1 52 52 HIS H H 1 8.047 0.0309 . . . . . . . 51 HIS HN . 25809 1 509 . 1 1 52 52 HIS HA H 1 5.478 0.0130 . . . . . . . 51 HIS HA . 25809 1 510 . 1 1 52 52 HIS HB2 H 1 2.453 0.0000 . . . . . . . 51 HIS HB2 . 25809 1 511 . 1 1 52 52 HIS C C 13 174.9 0.0000 . . . . . . . 51 HIS CO . 25809 1 512 . 1 1 52 52 HIS CA C 13 53.47 0.1432 . . . . . . . 51 HIS CA . 25809 1 513 . 1 1 52 52 HIS CB C 13 30.21 0.0984 . . . . . . . 51 HIS CB . 25809 1 514 . 1 1 52 52 HIS N N 15 111.7 0.2125 . . . . . . . 51 HIS N . 25809 1 515 . 1 1 53 53 SER H H 1 9.048 0.0288 . . . . . . . 52 SER HN . 25809 1 516 . 1 1 53 53 SER HA H 1 4.690 0.0040 . . . . . . . 52 SER HA . 25809 1 517 . 1 1 53 53 SER HB2 H 1 4.519 0.0000 . . . . . . . 52 SER HB2 . 25809 1 518 . 1 1 53 53 SER HB3 H 1 4.130 0.0000 . . . . . . . 52 SER HB3 . 25809 1 519 . 1 1 53 53 SER C C 13 174.7 0.0000 . . . . . . . 52 SER CO . 25809 1 520 . 1 1 53 53 SER CA C 13 57.37 0.1497 . . . . . . . 52 SER CA . 25809 1 521 . 1 1 53 53 SER CB C 13 65.55 0.0722 . . . . . . . 52 SER CB . 25809 1 522 . 1 1 53 53 SER N N 15 116.8 0.2059 . . . . . . . 52 SER N . 25809 1 523 . 1 1 54 54 ASP H H 1 8.529 0.0318 . . . . . . . 53 ASP HN . 25809 1 524 . 1 1 54 54 ASP HA H 1 4.795 0.0000 . . . . . . . 53 ASP HA . 25809 1 525 . 1 1 54 54 ASP HB2 H 1 2.767 0.0000 . . . . . . . 53 ASP HB2 . 25809 1 526 . 1 1 54 54 ASP C C 13 175.7 0.0000 . . . . . . . 53 ASP CO . 25809 1 527 . 1 1 54 54 ASP CA C 13 54.35 0.0471 . . . . . . . 53 ASP CA . 25809 1 528 . 1 1 54 54 ASP CB C 13 40.91 0.1065 . . . . . . . 53 ASP CB . 25809 1 529 . 1 1 54 54 ASP N N 15 120.0 0.1745 . . . . . . . 53 ASP N . 25809 1 530 . 1 1 55 55 LEU H H 1 8.675 0.0437 . . . . . . . 54 LEU HN . 25809 1 531 . 1 1 55 55 LEU HA H 1 4.322 0.0017 . . . . . . . 54 LEU HA . 25809 1 532 . 1 1 55 55 LEU HB2 H 1 1.802 0.0058 . . . . . . . 54 LEU HB2 . 25809 1 533 . 1 1 55 55 LEU HG H 1 1.798 0.0000 . . . . . . . 54 LEU HG . 25809 1 534 . 1 1 55 55 LEU HD11 H 1 0.9370 0.0000 . . . . . . . 54 LEU HD1 . 25809 1 535 . 1 1 55 55 LEU HD12 H 1 0.9370 0.0000 . . . . . . . 54 LEU HD1 . 25809 1 536 . 1 1 55 55 LEU HD13 H 1 0.9370 0.0000 . . . . . . . 54 LEU HD1 . 25809 1 537 . 1 1 55 55 LEU HD21 H 1 0.9967 0.0005 . . . . . . . 54 LEU HD2 . 25809 1 538 . 1 1 55 55 LEU HD22 H 1 0.9967 0.0005 . . . . . . . 54 LEU HD2 . 25809 1 539 . 1 1 55 55 LEU HD23 H 1 0.9967 0.0005 . . . . . . . 54 LEU HD2 . 25809 1 540 . 1 1 55 55 LEU C C 13 172.8 0.0000 . . . . . . . 54 LEU CO . 25809 1 541 . 1 1 55 55 LEU CA C 13 56.43 0.0792 . . . . . . . 54 LEU CA . 25809 1 542 . 1 1 55 55 LEU CB C 13 42.40 0.1050 . . . . . . . 54 LEU CB . 25809 1 543 . 1 1 55 55 LEU CG C 13 27.32 0.0000 . . . . . . . 54 LEU CG . 25809 1 544 . 1 1 55 55 LEU CD1 C 13 25.49 0.2983 . . . . . . . 54 LEU CD1 . 25809 1 545 . 1 1 55 55 LEU CD2 C 13 24.17 0.0339 . . . . . . . 54 LEU CD2 . 25809 1 546 . 1 1 55 55 LEU N N 15 125.9 0.1518 . . . . . . . 54 LEU N . 25809 1 547 . 1 1 56 56 SER H H 1 8.047 0.0374 . . . . . . . 55 SER HN . 25809 1 548 . 1 1 56 56 SER HB2 H 1 3.340 0.0000 . . . . . . . 55 SER HB2 . 25809 1 549 . 1 1 56 56 SER HB3 H 1 2.624 0.0010 . . . . . . . 55 SER HB3 . 25809 1 550 . 1 1 56 56 SER C C 13 171.0 0.0000 . . . . . . . 55 SER CO . 25809 1 551 . 1 1 56 56 SER CA C 13 57.23 0.0612 . . . . . . . 55 SER CA . 25809 1 552 . 1 1 56 56 SER CB C 13 64.92 0.1224 . . . . . . . 55 SER CB . 25809 1 553 . 1 1 56 56 SER N N 15 122.3 0.2182 . . . . . . . 55 SER N . 25809 1 554 . 1 1 57 57 PHE H H 1 8.019 0.0297 . . . . . . . 56 PHE HN . 25809 1 555 . 1 1 57 57 PHE HA H 1 5.149 0.0000 . . . . . . . 56 PHE HA . 25809 1 556 . 1 1 57 57 PHE C C 13 175.9 0.0000 . . . . . . . 56 PHE CO . 25809 1 557 . 1 1 57 57 PHE CA C 13 55.53 0.0160 . . . . . . . 56 PHE CA . 25809 1 558 . 1 1 57 57 PHE CB C 13 41.00 0.0250 . . . . . . . 56 PHE CB . 25809 1 559 . 1 1 57 57 PHE N N 15 119.3 0.2002 . . . . . . . 56 PHE N . 25809 1 560 . 1 1 58 58 SER H H 1 8.831 0.0300 . . . . . . . 57 SER HN . 25809 1 561 . 1 1 58 58 SER HA H 1 4.736 0.0000 . . . . . . . 57 SER HA . 25809 1 562 . 1 1 58 58 SER HB2 H 1 3.876 0.0010 . . . . . . . 57 SER HB2 . 25809 1 563 . 1 1 58 58 SER HB3 H 1 3.644 0.0000 . . . . . . . 57 SER HB3 . 25809 1 564 . 1 1 58 58 SER CA C 13 56.81 0.0991 . . . . . . . 57 SER CA . 25809 1 565 . 1 1 58 58 SER CB C 13 64.62 0.4151 . . . . . . . 57 SER CB . 25809 1 566 . 1 1 58 58 SER N N 15 119.8 0.2121 . . . . . . . 57 SER N . 25809 1 567 . 1 1 59 59 LYS HB2 H 1 1.871 0.0019 . . . . . . . 58 LYS HB . 25809 1 568 . 1 1 59 59 LYS HB3 H 1 1.871 0.0019 . . . . . . . 58 LYS HB . 25809 1 569 . 1 1 59 59 LYS HD2 H 1 1.702 0.0000 . . . . . . . 58 LYS HD . 25809 1 570 . 1 1 59 59 LYS HD3 H 1 1.702 0.0000 . . . . . . . 58 LYS HD . 25809 1 571 . 1 1 59 59 LYS HE2 H 1 3.013 0.0005 . . . . . . . 58 LYS HE . 25809 1 572 . 1 1 59 59 LYS HE3 H 1 3.013 0.0005 . . . . . . . 58 LYS HE . 25809 1 573 . 1 1 59 59 LYS C C 13 176.7 0.0000 . . . . . . . 58 LYS CO . 25809 1 574 . 1 1 59 59 LYS CA C 13 58.58 0.0787 . . . . . . . 58 LYS CA . 25809 1 575 . 1 1 59 59 LYS CB C 13 31.95 0.2277 . . . . . . . 58 LYS CB . 25809 1 576 . 1 1 59 59 LYS CG C 13 24.32 0.0000 . . . . . . . 58 LYS CG . 25809 1 577 . 1 1 59 59 LYS CD C 13 28.92 0.0770 . . . . . . . 58 LYS CD . 25809 1 578 . 1 1 59 59 LYS CE C 13 41.89 0.0269 . . . . . . . 58 LYS CE . 25809 1 579 . 1 1 60 60 ASP H H 1 7.727 0.0295 . . . . . . . 59 ASP HN . 25809 1 580 . 1 1 60 60 ASP HA H 1 4.469 0.0000 . . . . . . . 59 ASP HA . 25809 1 581 . 1 1 60 60 ASP HB2 H 1 2.926 0.0000 . . . . . . . 59 ASP HB2 . 25809 1 582 . 1 1 60 60 ASP HB3 H 1 2.521 0.0000 . . . . . . . 59 ASP HB3 . 25809 1 583 . 1 1 60 60 ASP C C 13 176.8 0.0000 . . . . . . . 59 ASP CO . 25809 1 584 . 1 1 60 60 ASP CA C 13 53.29 0.0242 . . . . . . . 59 ASP CA . 25809 1 585 . 1 1 60 60 ASP CB C 13 39.81 0.0158 . . . . . . . 59 ASP CB . 25809 1 586 . 1 1 60 60 ASP N N 15 116.2 0.2160 . . . . . . . 59 ASP N . 25809 1 587 . 1 1 61 61 GLY H H 1 7.960 0.0291 . . . . . . . 60 GLY HN . 25809 1 588 . 1 1 61 61 GLY HA2 H 1 4.097 0.0000 . . . . . . . 60 GLY HA2 . 25809 1 589 . 1 1 61 61 GLY C C 13 173.1 0.0000 . . . . . . . 60 GLY CO . 25809 1 590 . 1 1 61 61 GLY CA C 13 45.17 0.0675 . . . . . . . 60 GLY CA . 25809 1 591 . 1 1 61 61 GLY N N 15 108.6 0.1978 . . . . . . . 60 GLY N . 25809 1 592 . 1 1 62 62 SER H H 1 7.493 0.0309 . . . . . . . 61 SER HN . 25809 1 593 . 1 1 62 62 SER HA H 1 4.310 0.0090 . . . . . . . 61 SER HA . 25809 1 594 . 1 1 62 62 SER HB2 H 1 3.936 0.0000 . . . . . . . 61 SER HB2 . 25809 1 595 . 1 1 62 62 SER HB3 H 1 3.660 0.0000 . . . . . . . 61 SER HB3 . 25809 1 596 . 1 1 62 62 SER C C 13 171.9 0.0000 . . . . . . . 61 SER CO . 25809 1 597 . 1 1 62 62 SER CA C 13 57.28 0.1527 . . . . . . . 61 SER CA . 25809 1 598 . 1 1 62 62 SER CB C 13 64.44 0.0609 . . . . . . . 61 SER CB . 25809 1 599 . 1 1 62 62 SER N N 15 114.7 0.2167 . . . . . . . 61 SER N . 25809 1 600 . 1 1 63 63 PHE H H 1 8.182 0.0305 . . . . . . . 62 PHE HN . 25809 1 601 . 1 1 63 63 PHE HA H 1 5.260 0.0000 . . . . . . . 62 PHE HA . 25809 1 602 . 1 1 63 63 PHE HB2 H 1 2.496 0.0000 . . . . . . . 62 PHE HB2 . 25809 1 603 . 1 1 63 63 PHE HB3 H 1 1.467 0.0000 . . . . . . . 62 PHE HB3 . 25809 1 604 . 1 1 63 63 PHE C C 13 174.5 0.0000 . . . . . . . 62 PHE CO . 25809 1 605 . 1 1 63 63 PHE CA C 13 57.28 0.0549 . . . . . . . 62 PHE CA . 25809 1 606 . 1 1 63 63 PHE CB C 13 42.15 0.0174 . . . . . . . 62 PHE CB . 25809 1 607 . 1 1 63 63 PHE N N 15 118.9 0.2116 . . . . . . . 62 PHE N . 25809 1 608 . 1 1 64 64 TYR H H 1 8.172 0.0315 . . . . . . . 63 TYR HN . 25809 1 609 . 1 1 64 64 TYR HB2 H 1 3.020 0.0000 . . . . . . . 63 TYR HB . 25809 1 610 . 1 1 64 64 TYR HB3 H 1 3.020 0.0000 . . . . . . . 63 TYR HB . 25809 1 611 . 1 1 64 64 TYR C C 13 173.7 0.0000 . . . . . . . 63 TYR CO . 25809 1 612 . 1 1 64 64 TYR CA C 13 56.59 0.0882 . . . . . . . 63 TYR CA . 25809 1 613 . 1 1 64 64 TYR CB C 13 40.76 0.0405 . . . . . . . 63 TYR CB . 25809 1 614 . 1 1 64 64 TYR N N 15 112.1 0.2056 . . . . . . . 63 TYR N . 25809 1 615 . 1 1 65 65 LEU H H 1 9.126 0.0313 . . . . . . . 64 LEU HN . 25809 1 616 . 1 1 65 65 LEU HA H 1 4.616 0.0000 . . . . . . . 64 LEU HA . 25809 1 617 . 1 1 65 65 LEU HB2 H 1 1.977 0.0017 . . . . . . . 64 LEU HB2 . 25809 1 618 . 1 1 65 65 LEU HB3 H 1 1.769 0.0029 . . . . . . . 64 LEU HB3 . 25809 1 619 . 1 1 65 65 LEU HG H 1 1.792 0.0059 . . . . . . . 64 LEU HG . 25809 1 620 . 1 1 65 65 LEU HD11 H 1 1.030 0.0005 . . . . . . . 64 LEU HD1 . 25809 1 621 . 1 1 65 65 LEU HD12 H 1 1.030 0.0005 . . . . . . . 64 LEU HD1 . 25809 1 622 . 1 1 65 65 LEU HD13 H 1 1.030 0.0005 . . . . . . . 64 LEU HD1 . 25809 1 623 . 1 1 65 65 LEU HD21 H 1 0.9765 0.0005 . . . . . . . 64 LEU HD2 . 25809 1 624 . 1 1 65 65 LEU HD22 H 1 0.9765 0.0005 . . . . . . . 64 LEU HD2 . 25809 1 625 . 1 1 65 65 LEU HD23 H 1 0.9765 0.0005 . . . . . . . 64 LEU HD2 . 25809 1 626 . 1 1 65 65 LEU C C 13 173.2 0.0000 . . . . . . . 64 LEU CO . 25809 1 627 . 1 1 65 65 LEU CA C 13 55.34 0.0768 . . . . . . . 64 LEU CA . 25809 1 628 . 1 1 65 65 LEU CB C 13 47.04 0.0550 . . . . . . . 64 LEU CB . 25809 1 629 . 1 1 65 65 LEU CG C 13 27.34 0.0725 . . . . . . . 64 LEU CG . 25809 1 630 . 1 1 65 65 LEU CD1 C 13 25.84 0.0216 . . . . . . . 64 LEU CD1 . 25809 1 631 . 1 1 65 65 LEU CD2 C 13 25.33 0.1025 . . . . . . . 64 LEU CD2 . 25809 1 632 . 1 1 65 65 LEU N N 15 119.5 0.2114 . . . . . . . 64 LEU N . 25809 1 633 . 1 1 66 66 LEU H H 1 8.066 0.0299 . . . . . . . 65 LEU HN . 25809 1 634 . 1 1 66 66 LEU HA H 1 5.502 0.0016 . . . . . . . 65 LEU HA . 25809 1 635 . 1 1 66 66 LEU HB2 H 1 2.003 0.0020 . . . . . . . 65 LEU HB2 . 25809 1 636 . 1 1 66 66 LEU HB3 H 1 1.605 0.0022 . . . . . . . 65 LEU HB3 . 25809 1 637 . 1 1 66 66 LEU HG H 1 1.603 0.0070 . . . . . . . 65 LEU HG . 25809 1 638 . 1 1 66 66 LEU HD11 H 1 0.8387 0.0025 . . . . . . . 65 LEU HD1 . 25809 1 639 . 1 1 66 66 LEU HD12 H 1 0.8387 0.0025 . . . . . . . 65 LEU HD1 . 25809 1 640 . 1 1 66 66 LEU HD13 H 1 0.8387 0.0025 . . . . . . . 65 LEU HD1 . 25809 1 641 . 1 1 66 66 LEU HD21 H 1 1.065 0.0004 . . . . . . . 65 LEU HD2 . 25809 1 642 . 1 1 66 66 LEU HD22 H 1 1.065 0.0004 . . . . . . . 65 LEU HD2 . 25809 1 643 . 1 1 66 66 LEU HD23 H 1 1.065 0.0004 . . . . . . . 65 LEU HD2 . 25809 1 644 . 1 1 66 66 LEU C C 13 175.1 0.0000 . . . . . . . 65 LEU CO . 25809 1 645 . 1 1 66 66 LEU CA C 13 53.85 0.0695 . . . . . . . 65 LEU CA . 25809 1 646 . 1 1 66 66 LEU CB C 13 46.32 0.0930 . . . . . . . 65 LEU CB . 25809 1 647 . 1 1 66 66 LEU CG C 13 27.74 0.1945 . . . . . . . 65 LEU CG . 25809 1 648 . 1 1 66 66 LEU CD1 C 13 25.66 0.1578 . . . . . . . 65 LEU CD1 . 25809 1 649 . 1 1 66 66 LEU CD2 C 13 23.65 0.1254 . . . . . . . 65 LEU CD2 . 25809 1 650 . 1 1 66 66 LEU N N 15 122.3 0.2153 . . . . . . . 65 LEU N . 25809 1 651 . 1 1 67 67 TYR H H 1 9.052 0.0282 . . . . . . . 66 TYR HN . 25809 1 652 . 1 1 67 67 TYR HA H 1 5.366 0.0000 . . . . . . . 66 TYR HA . 25809 1 653 . 1 1 67 67 TYR HB2 H 1 2.861 0.1865 . . . . . . . 66 TYR HB2 . 25809 1 654 . 1 1 67 67 TYR C C 13 175.0 0.0000 . . . . . . . 66 TYR CO . 25809 1 655 . 1 1 67 67 TYR CA C 13 56.71 0.0784 . . . . . . . 66 TYR CA . 25809 1 656 . 1 1 67 67 TYR CB C 13 41.94 0.1541 . . . . . . . 66 TYR CB . 25809 1 657 . 1 1 67 67 TYR N N 15 127.3 0.1999 . . . . . . . 66 TYR N . 25809 1 658 . 1 1 68 68 TYR H H 1 8.861 0.0307 . . . . . . . 67 TYR HN . 25809 1 659 . 1 1 68 68 TYR HA H 1 5.972 0.0000 . . . . . . . 67 TYR HA . 25809 1 660 . 1 1 68 68 TYR HB2 H 1 2.714 0.0040 . . . . . . . 67 TYR HB2 . 25809 1 661 . 1 1 68 68 TYR C C 13 173.6 0.0000 . . . . . . . 67 TYR CO . 25809 1 662 . 1 1 68 68 TYR CA C 13 55.70 0.1462 . . . . . . . 67 TYR CA . 25809 1 663 . 1 1 68 68 TYR CB C 13 40.88 0.2193 . . . . . . . 67 TYR CB . 25809 1 664 . 1 1 68 68 TYR N N 15 116.7 0.2205 . . . . . . . 67 TYR N . 25809 1 665 . 1 1 69 69 THR H H 1 8.230 0.0286 . . . . . . . 68 THR HN . 25809 1 666 . 1 1 69 69 THR HA H 1 4.873 0.0008 . . . . . . . 68 THR HA . 25809 1 667 . 1 1 69 69 THR HB H 1 4.119 0.0015 . . . . . . . 68 THR HB . 25809 1 668 . 1 1 69 69 THR HG21 H 1 0.9505 0.0005 . . . . . . . 68 THR HG2 . 25809 1 669 . 1 1 69 69 THR HG22 H 1 0.9505 0.0005 . . . . . . . 68 THR HG2 . 25809 1 670 . 1 1 69 69 THR HG23 H 1 0.9505 0.0005 . . . . . . . 68 THR HG2 . 25809 1 671 . 1 1 69 69 THR C C 13 171.5 0.0000 . . . . . . . 68 THR CO . 25809 1 672 . 1 1 69 69 THR CA C 13 59.94 0.0463 . . . . . . . 68 THR CA . 25809 1 673 . 1 1 69 69 THR CB C 13 69.92 0.0831 . . . . . . . 68 THR CB . 25809 1 674 . 1 1 69 69 THR CG2 C 13 19.11 0.1063 . . . . . . . 68 THR CG2 . 25809 1 675 . 1 1 69 69 THR N N 15 111.7 0.1993 . . . . . . . 68 THR N . 25809 1 676 . 1 1 70 70 GLU H H 1 8.428 0.0286 . . . . . . . 69 GLU HN . 25809 1 677 . 1 1 70 70 GLU HA H 1 4.313 0.0040 . . . . . . . 69 GLU HA . 25809 1 678 . 1 1 70 70 GLU HB2 H 1 1.869 0.0245 . . . . . . . 69 GLU HB2 . 25809 1 679 . 1 1 70 70 GLU HB3 H 1 1.720 0.0000 . . . . . . . 69 GLU HB3 . 25809 1 680 . 1 1 70 70 GLU HG2 H 1 1.901 0.0014 . . . . . . . 69 GLU HG . 25809 1 681 . 1 1 70 70 GLU HG3 H 1 1.901 0.0014 . . . . . . . 69 GLU HG . 25809 1 682 . 1 1 70 70 GLU C C 13 177.0 0.0000 . . . . . . . 69 GLU CO . 25809 1 683 . 1 1 70 70 GLU CA C 13 56.49 0.0790 . . . . . . . 69 GLU CA . 25809 1 684 . 1 1 70 70 GLU CB C 13 29.79 0.1373 . . . . . . . 69 GLU CB . 25809 1 685 . 1 1 70 70 GLU CG C 13 36.03 0.0686 . . . . . . . 69 GLU CG . 25809 1 686 . 1 1 70 70 GLU N N 15 130.1 0.2006 . . . . . . . 69 GLU N . 25809 1 687 . 1 1 71 71 PHE H H 1 8.677 0.0216 . . . . . . . 70 PHE HN . 25809 1 688 . 1 1 71 71 PHE HB3 H 1 2.605 0.0000 . . . . . . . 70 PHE HB3 . 25809 1 689 . 1 1 71 71 PHE C C 13 171.8 0.0000 . . . . . . . 70 PHE CO . 25809 1 690 . 1 1 71 71 PHE CA C 13 55.06 0.0698 . . . . . . . 70 PHE CA . 25809 1 691 . 1 1 71 71 PHE CB C 13 40.84 0.1179 . . . . . . . 70 PHE CB . 25809 1 692 . 1 1 71 71 PHE N N 15 125.7 0.2491 . . . . . . . 70 PHE N . 25809 1 693 . 1 1 72 72 THR H H 1 8.141 0.0297 . . . . . . . 71 THR HN . 25809 1 694 . 1 1 72 72 THR HA H 1 4.474 0.0016 . . . . . . . 71 THR HA . 25809 1 695 . 1 1 72 72 THR HB H 1 3.874 0.0000 . . . . . . . 71 THR HB . 25809 1 696 . 1 1 72 72 THR HG21 H 1 0.8650 0.0040 . . . . . . . 71 THR HG2 . 25809 1 697 . 1 1 72 72 THR HG22 H 1 0.8650 0.0040 . . . . . . . 71 THR HG2 . 25809 1 698 . 1 1 72 72 THR HG23 H 1 0.8650 0.0040 . . . . . . . 71 THR HG2 . 25809 1 699 . 1 1 72 72 THR CA C 13 58.24 0.0749 . . . . . . . 71 THR CA . 25809 1 700 . 1 1 72 72 THR CB C 13 69.89 0.0491 . . . . . . . 71 THR CB . 25809 1 701 . 1 1 72 72 THR CG2 C 13 20.19 0.2752 . . . . . . . 71 THR CG . 25809 1 702 . 1 1 72 72 THR N N 15 117.1 0.1955 . . . . . . . 71 THR N . 25809 1 703 . 1 1 73 73 PRO HA H 1 4.573 0.0036 . . . . . . . 72 PRO HA . 25809 1 704 . 1 1 73 73 PRO HB2 H 1 2.417 0.0000 . . . . . . . 72 PRO HB2 . 25809 1 705 . 1 1 73 73 PRO HB3 H 1 2.189 0.0050 . . . . . . . 72 PRO HB3 . 25809 1 706 . 1 1 73 73 PRO HG2 H 1 2.002 0.0026 . . . . . . . 72 PRO HG2 . 25809 1 707 . 1 1 73 73 PRO HG3 H 1 1.406 0.0005 . . . . . . . 72 PRO HG3 . 25809 1 708 . 1 1 73 73 PRO HD2 H 1 3.974 0.0021 . . . . . . . 72 PRO HD2 . 25809 1 709 . 1 1 73 73 PRO HD3 H 1 2.233 0.0012 . . . . . . . 72 PRO HD3 . 25809 1 710 . 1 1 73 73 PRO C C 13 175.1 0.0000 . . . . . . . 72 PRO CO . 25809 1 711 . 1 1 73 73 PRO CA C 13 62.96 0.0967 . . . . . . . 72 PRO CA . 25809 1 712 . 1 1 73 73 PRO CB C 13 31.69 0.1058 . . . . . . . 72 PRO CB . 25809 1 713 . 1 1 73 73 PRO CG C 13 26.74 0.3267 . . . . . . . 72 PRO CG . 25809 1 714 . 1 1 73 73 PRO CD C 13 50.75 0.2018 . . . . . . . 72 PRO CD . 25809 1 715 . 1 1 74 74 THR H H 1 8.004 0.0261 . . . . . . . 73 THR HN . 25809 1 716 . 1 1 74 74 THR HA H 1 4.664 0.0123 . . . . . . . 73 THR HA . 25809 1 717 . 1 1 74 74 THR HB H 1 4.543 0.0020 . . . . . . . 73 THR HB . 25809 1 718 . 1 1 74 74 THR HG21 H 1 1.319 0.0010 . . . . . . . 73 THR HG2 . 25809 1 719 . 1 1 74 74 THR HG22 H 1 1.319 0.0010 . . . . . . . 73 THR HG2 . 25809 1 720 . 1 1 74 74 THR HG23 H 1 1.319 0.0010 . . . . . . . 73 THR HG2 . 25809 1 721 . 1 1 74 74 THR C C 13 175.2 0.0000 . . . . . . . 73 THR CO . 25809 1 722 . 1 1 74 74 THR CA C 13 59.97 0.2207 . . . . . . . 73 THR CA . 25809 1 723 . 1 1 74 74 THR CB C 13 72.61 0.0720 . . . . . . . 73 THR CB . 25809 1 724 . 1 1 74 74 THR CG2 C 13 21.01 0.2074 . . . . . . . 73 THR CG . 25809 1 725 . 1 1 74 74 THR N N 15 110.7 0.1741 . . . . . . . 73 THR N . 25809 1 726 . 1 1 75 75 GLU H H 1 9.041 0.0284 . . . . . . . 74 GLU HN . 25809 1 727 . 1 1 75 75 GLU HA H 1 4.202 0.0150 . . . . . . . 74 GLU HA . 25809 1 728 . 1 1 75 75 GLU HB2 H 1 2.080 0.0015 . . . . . . . 74 GLU HB . 25809 1 729 . 1 1 75 75 GLU HB3 H 1 2.080 0.0015 . . . . . . . 74 GLU HB . 25809 1 730 . 1 1 75 75 GLU HG3 H 1 2.293 0.0000 . . . . . . . 74 GLU HG3 . 25809 1 731 . 1 1 75 75 GLU C C 13 177.6 0.0000 . . . . . . . 74 GLU CO . 25809 1 732 . 1 1 75 75 GLU CA C 13 58.67 0.1880 . . . . . . . 74 GLU CA . 25809 1 733 . 1 1 75 75 GLU CB C 13 29.70 0.1514 . . . . . . . 74 GLU CB . 25809 1 734 . 1 1 75 75 GLU CG C 13 36.11 0.0707 . . . . . . . 74 GLU CG . 25809 1 735 . 1 1 75 75 GLU N N 15 118.6 0.4409 . . . . . . . 74 GLU N . 25809 1 736 . 1 1 76 76 LYS H H 1 7.730 0.0285 . . . . . . . 75 LYS HN . 25809 1 737 . 1 1 76 76 LYS C C 13 176.6 0.0000 . . . . . . . 75 LYS CO . 25809 1 738 . 1 1 76 76 LYS CA C 13 56.17 0.0711 . . . . . . . 75 LYS CA . 25809 1 739 . 1 1 76 76 LYS CB C 13 33.73 0.0000 . . . . . . . 75 LYS CB . 25809 1 740 . 1 1 76 76 LYS N N 15 114.0 0.1946 . . . . . . . 75 LYS N . 25809 1 741 . 1 1 77 77 ASP H H 1 7.055 0.0319 . . . . . . . 76 ASP HN . 25809 1 742 . 1 1 77 77 ASP HA H 1 5.133 0.0080 . . . . . . . 76 ASP HA . 25809 1 743 . 1 1 77 77 ASP HB2 H 1 2.810 0.0060 . . . . . . . 76 ASP HB2 . 25809 1 744 . 1 1 77 77 ASP HB3 H 1 2.155 0.0000 . . . . . . . 76 ASP HB3 . 25809 1 745 . 1 1 77 77 ASP C C 13 175.1 0.0000 . . . . . . . 76 ASP CO . 25809 1 746 . 1 1 77 77 ASP CA C 13 55.10 0.1399 . . . . . . . 76 ASP CA . 25809 1 747 . 1 1 77 77 ASP CB C 13 43.46 0.0894 . . . . . . . 76 ASP CB . 25809 1 748 . 1 1 77 77 ASP N N 15 118.1 0.2139 . . . . . . . 76 ASP N . 25809 1 749 . 1 1 78 78 GLU H H 1 8.553 0.0288 . . . . . . . 77 GLU HN . 25809 1 750 . 1 1 78 78 GLU HA H 1 4.808 0.0000 . . . . . . . 77 GLU HA . 25809 1 751 . 1 1 78 78 GLU HB2 H 1 2.026 0.0257 . . . . . . . 77 GLU HB2 . 25809 1 752 . 1 1 78 78 GLU HG2 H 1 2.377 0.0000 . . . . . . . 77 GLU HG2 . 25809 1 753 . 1 1 78 78 GLU C C 13 175.0 0.0000 . . . . . . . 77 GLU CO . 25809 1 754 . 1 1 78 78 GLU CA C 13 54.64 0.0882 . . . . . . . 77 GLU CA . 25809 1 755 . 1 1 78 78 GLU CB C 13 32.54 0.1093 . . . . . . . 77 GLU CB . 25809 1 756 . 1 1 78 78 GLU CG C 13 36.51 0.1094 . . . . . . . 77 GLU CG . 25809 1 757 . 1 1 78 78 GLU N N 15 122.7 0.2074 . . . . . . . 77 GLU N . 25809 1 758 . 1 1 79 79 TYR H H 1 9.407 0.0272 . . . . . . . 78 TYR HN . 25809 1 759 . 1 1 79 79 TYR HA H 1 5.602 0.0000 . . . . . . . 78 TYR HA . 25809 1 760 . 1 1 79 79 TYR HB2 H 1 2.828 0.0000 . . . . . . . 78 TYR HB2 . 25809 1 761 . 1 1 79 79 TYR HB3 H 1 2.721 0.0000 . . . . . . . 78 TYR HB3 . 25809 1 762 . 1 1 79 79 TYR C C 13 175.3 0.0000 . . . . . . . 78 TYR CO . 25809 1 763 . 1 1 79 79 TYR CA C 13 56.65 0.0284 . . . . . . . 78 TYR CA . 25809 1 764 . 1 1 79 79 TYR CB C 13 42.86 0.0460 . . . . . . . 78 TYR CB . 25809 1 765 . 1 1 79 79 TYR N N 15 124.0 0.1948 . . . . . . . 78 TYR N . 25809 1 766 . 1 1 80 80 ALA H H 1 8.732 0.0274 . . . . . . . 79 ALA HN . 25809 1 767 . 1 1 80 80 ALA HA H 1 5.120 0.0625 . . . . . . . 79 ALA HA . 25809 1 768 . 1 1 80 80 ALA HB1 H 1 1.204 0.0000 . . . . . . . 79 ALA HB . 25809 1 769 . 1 1 80 80 ALA HB2 H 1 1.204 0.0000 . . . . . . . 79 ALA HB . 25809 1 770 . 1 1 80 80 ALA HB3 H 1 1.204 0.0000 . . . . . . . 79 ALA HB . 25809 1 771 . 1 1 80 80 ALA C C 13 173.7 0.0000 . . . . . . . 79 ALA CO . 25809 1 772 . 1 1 80 80 ALA CA C 13 50.79 0.1363 . . . . . . . 79 ALA CA . 25809 1 773 . 1 1 80 80 ALA CB C 13 23.91 0.1096 . . . . . . . 79 ALA CB . 25809 1 774 . 1 1 80 80 ALA N N 15 121.1 0.1834 . . . . . . . 79 ALA N . 25809 1 775 . 1 1 81 81 CYS H H 1 9.040 0.0281 . . . . . . . 80 CYS HN . 25809 1 776 . 1 1 81 81 CYS HA H 1 5.130 0.0000 . . . . . . . 80 CYS HA . 25809 1 777 . 1 1 81 81 CYS HB2 H 1 3.059 0.0000 . . . . . . . 80 CYS HB2 . 25809 1 778 . 1 1 81 81 CYS HB3 H 1 2.625 0.0000 . . . . . . . 80 CYS HB3 . 25809 1 779 . 1 1 81 81 CYS C C 13 171.3 0.0000 . . . . . . . 80 CYS CO . 25809 1 780 . 1 1 81 81 CYS CA C 13 52.78 0.0876 . . . . . . . 80 CYS CA . 25809 1 781 . 1 1 81 81 CYS CB C 13 43.28 0.0309 . . . . . . . 80 CYS CB . 25809 1 782 . 1 1 81 81 CYS N N 15 120.0 0.1976 . . . . . . . 80 CYS N . 25809 1 783 . 1 1 82 82 ARG H H 1 9.348 0.0293 . . . . . . . 81 ARG HN . 25809 1 784 . 1 1 82 82 ARG HA H 1 5.399 0.0024 . . . . . . . 81 ARG HA . 25809 1 785 . 1 1 82 82 ARG HB2 H 1 1.771 0.0035 . . . . . . . 81 ARG HB2 . 25809 1 786 . 1 1 82 82 ARG HB3 H 1 1.180 0.0020 . . . . . . . 81 ARG HB3 . 25809 1 787 . 1 1 82 82 ARG HG3 H 1 1.239 0.0000 . . . . . . . 81 ARG HG3 . 25809 1 788 . 1 1 82 82 ARG C C 13 174.0 0.0000 . . . . . . . 81 ARG CO . 25809 1 789 . 1 1 82 82 ARG CA C 13 53.58 0.0902 . . . . . . . 81 ARG CA . 25809 1 790 . 1 1 82 82 ARG CB C 13 33.65 0.0884 . . . . . . . 81 ARG CB . 25809 1 791 . 1 1 82 82 ARG CG C 13 26.32 0.0200 . . . . . . . 81 ARG CG . 25809 1 792 . 1 1 82 82 ARG CD C 13 43.53 0.1375 . . . . . . . 81 ARG CD . 25809 1 793 . 1 1 82 82 ARG N N 15 128.6 0.2122 . . . . . . . 81 ARG N . 25809 1 794 . 1 1 83 83 VAL H H 1 8.959 0.0303 . . . . . . . 82 VAL HN . 25809 1 795 . 1 1 83 83 VAL HA H 1 4.947 0.0005 . . . . . . . 82 VAL HA . 25809 1 796 . 1 1 83 83 VAL HB H 1 1.678 0.0020 . . . . . . . 82 VAL HB . 25809 1 797 . 1 1 83 83 VAL HG11 H 1 0.8080 0.0007 . . . . . . . 82 VAL HG1 . 25809 1 798 . 1 1 83 83 VAL HG12 H 1 0.8080 0.0007 . . . . . . . 82 VAL HG1 . 25809 1 799 . 1 1 83 83 VAL HG13 H 1 0.8080 0.0007 . . . . . . . 82 VAL HG1 . 25809 1 800 . 1 1 83 83 VAL HG21 H 1 0.6030 0.0016 . . . . . . . 82 VAL HG2 . 25809 1 801 . 1 1 83 83 VAL HG22 H 1 0.6030 0.0016 . . . . . . . 82 VAL HG2 . 25809 1 802 . 1 1 83 83 VAL HG23 H 1 0.6030 0.0016 . . . . . . . 82 VAL HG2 . 25809 1 803 . 1 1 83 83 VAL C C 13 173.4 0.0000 . . . . . . . 82 VAL CO . 25809 1 804 . 1 1 83 83 VAL CA C 13 60.14 0.0639 . . . . . . . 82 VAL CA . 25809 1 805 . 1 1 83 83 VAL CB C 13 35.44 0.1026 . . . . . . . 82 VAL CB . 25809 1 806 . 1 1 83 83 VAL CG1 C 13 22.92 0.0401 . . . . . . . 82 VAL CG1 . 25809 1 807 . 1 1 83 83 VAL CG2 C 13 21.33 0.0957 . . . . . . . 82 VAL CG2 . 25809 1 808 . 1 1 83 83 VAL N N 15 127.7 0.2045 . . . . . . . 82 VAL N . 25809 1 809 . 1 1 84 84 ASN H H 1 8.951 0.0283 . . . . . . . 83 ASN HN . 25809 1 810 . 1 1 84 84 ASN HA H 1 5.186 0.0000 . . . . . . . 83 ASN HA . 25809 1 811 . 1 1 84 84 ASN HB2 H 1 2.802 0.0050 . . . . . . . 83 ASN HB2 . 25809 1 812 . 1 1 84 84 ASN HB3 H 1 2.435 0.0450 . . . . . . . 83 ASN HB3 . 25809 1 813 . 1 1 84 84 ASN HD21 H 1 7.314 0.0000 . . . . . . . 83 ASN HD21 . 25809 1 814 . 1 1 84 84 ASN HD22 H 1 6.526 0.0000 . . . . . . . 83 ASN HD22 . 25809 1 815 . 1 1 84 84 ASN C C 13 172.9 0.0000 . . . . . . . 83 ASN CO . 25809 1 816 . 1 1 84 84 ASN CA C 13 51.01 0.0217 . . . . . . . 83 ASN CA . 25809 1 817 . 1 1 84 84 ASN CB C 13 41.45 0.1543 . . . . . . . 83 ASN CB . 25809 1 818 . 1 1 84 84 ASN N N 15 123.6 0.2004 . . . . . . . 83 ASN N . 25809 1 819 . 1 1 84 84 ASN ND2 N 15 110.8 0.0030 . . . . . . . 83 ASN ND2 . 25809 1 820 . 1 1 85 85 HIS H H 1 7.655 0.0291 . . . . . . . 84 HIS HN . 25809 1 821 . 1 1 85 85 HIS HA H 1 4.573 0.0000 . . . . . . . 84 HIS HA . 25809 1 822 . 1 1 85 85 HIS HB2 H 1 2.898 0.0000 . . . . . . . 84 HIS HB2 . 25809 1 823 . 1 1 85 85 HIS HB3 H 1 2.429 0.0000 . . . . . . . 84 HIS HB3 . 25809 1 824 . 1 1 85 85 HIS C C 13 175.3 0.0000 . . . . . . . 84 HIS CO . 25809 1 825 . 1 1 85 85 HIS CA C 13 56.80 0.0329 . . . . . . . 84 HIS CA . 25809 1 826 . 1 1 85 85 HIS CB C 13 35.95 0.0604 . . . . . . . 84 HIS CB . 25809 1 827 . 1 1 85 85 HIS N N 15 122.9 0.1941 . . . . . . . 84 HIS N . 25809 1 828 . 1 1 86 86 VAL H H 1 7.943 0.0285 . . . . . . . 85 VAL HN . 25809 1 829 . 1 1 86 86 VAL C C 13 180.0 0.0000 . . . . . . . 85 VAL CO . 25809 1 830 . 1 1 86 86 VAL CA C 13 64.35 0.0396 . . . . . . . 85 VAL CA . 25809 1 831 . 1 1 86 86 VAL CB C 13 30.99 0.0000 . . . . . . . 85 VAL CB . 25809 1 832 . 1 1 86 86 VAL N N 15 124.9 0.1913 . . . . . . . 85 VAL N . 25809 1 833 . 1 1 87 87 THR H H 1 7.432 0.0238 . . . . . . . 86 THR HN . 25809 1 834 . 1 1 87 87 THR HA H 1 4.169 0.0005 . . . . . . . 86 THR HA . 25809 1 835 . 1 1 87 87 THR HB H 1 4.506 0.0010 . . . . . . . 86 THR HB . 25809 1 836 . 1 1 87 87 THR HG21 H 1 1.482 0.0000 . . . . . . . 86 THR HG2 . 25809 1 837 . 1 1 87 87 THR HG22 H 1 1.482 0.0000 . . . . . . . 86 THR HG2 . 25809 1 838 . 1 1 87 87 THR HG23 H 1 1.482 0.0000 . . . . . . . 86 THR HG2 . 25809 1 839 . 1 1 87 87 THR C C 13 174.6 0.0000 . . . . . . . 86 THR CO . 25809 1 840 . 1 1 87 87 THR CA C 13 62.99 0.0956 . . . . . . . 86 THR CA . 25809 1 841 . 1 1 87 87 THR CB C 13 69.59 0.0899 . . . . . . . 86 THR CB . 25809 1 842 . 1 1 87 87 THR CG2 C 13 23.31 0.1057 . . . . . . . 86 THR CG . 25809 1 843 . 1 1 87 87 THR N N 15 110.6 0.2058 . . . . . . . 86 THR N . 25809 1 844 . 1 1 88 88 LEU H H 1 7.994 0.0287 . . . . . . . 87 LEU HN . 25809 1 845 . 1 1 88 88 LEU HA H 1 4.755 0.0010 . . . . . . . 87 LEU HA . 25809 1 846 . 1 1 88 88 LEU HB2 H 1 2.030 0.0000 . . . . . . . 87 LEU HB2 . 25809 1 847 . 1 1 88 88 LEU HB3 H 1 1.829 0.0000 . . . . . . . 87 LEU HB3 . 25809 1 848 . 1 1 88 88 LEU HD21 H 1 0.9575 0.0005 . . . . . . . 87 LEU HD2 . 25809 1 849 . 1 1 88 88 LEU HD22 H 1 0.9575 0.0005 . . . . . . . 87 LEU HD2 . 25809 1 850 . 1 1 88 88 LEU HD23 H 1 0.9575 0.0005 . . . . . . . 87 LEU HD2 . 25809 1 851 . 1 1 88 88 LEU CA C 13 53.20 0.0312 . . . . . . . 87 LEU CA . 25809 1 852 . 1 1 88 88 LEU CB C 13 42.59 0.0469 . . . . . . . 87 LEU CB . 25809 1 853 . 1 1 88 88 LEU CG C 13 26.39 0.1164 . . . . . . . 87 LEU CG . 25809 1 854 . 1 1 88 88 LEU CD2 C 13 22.87 0.0000 . . . . . . . 87 LEU CD2 . 25809 1 855 . 1 1 88 88 LEU N N 15 123.2 0.1956 . . . . . . . 87 LEU N . 25809 1 856 . 1 1 89 89 SER HB3 H 1 3.976 0.0005 . . . . . . . 88 SER HB3 . 25809 1 857 . 1 1 89 89 SER C C 13 174.1 0.0000 . . . . . . . 88 SER CO . 25809 1 858 . 1 1 89 89 SER CA C 13 60.29 0.0697 . . . . . . . 88 SER CA . 25809 1 859 . 1 1 89 89 SER CB C 13 63.01 0.2091 . . . . . . . 88 SER CB . 25809 1 860 . 1 1 90 90 GLN H H 1 7.471 0.0294 . . . . . . . 89 GLN HN . 25809 1 861 . 1 1 90 90 GLN HA H 1 4.740 0.0000 . . . . . . . 89 GLN HA . 25809 1 862 . 1 1 90 90 GLN HB2 H 1 2.155 0.0000 . . . . . . . 89 GLN HB2 . 25809 1 863 . 1 1 90 90 GLN HB3 H 1 1.995 0.0000 . . . . . . . 89 GLN HB3 . 25809 1 864 . 1 1 90 90 GLN HG3 H 1 2.289 0.0000 . . . . . . . 89 GLN HG3 . 25809 1 865 . 1 1 90 90 GLN HE21 H 1 7.405 0.0000 . . . . . . . 89 GLN HE21 . 25809 1 866 . 1 1 90 90 GLN HE22 H 1 6.595 0.0000 . . . . . . . 89 GLN HE22 . 25809 1 867 . 1 1 90 90 GLN CA C 13 53.06 0.1718 . . . . . . . 89 GLN CA . 25809 1 868 . 1 1 90 90 GLN CB C 13 30.07 0.2500 . . . . . . . 89 GLN CB . 25809 1 869 . 1 1 90 90 GLN CG C 13 32.88 0.0769 . . . . . . . 89 GLN CG . 25809 1 870 . 1 1 90 90 GLN N N 15 117.3 0.2005 . . . . . . . 89 GLN N . 25809 1 871 . 1 1 90 90 GLN NE2 N 15 111.0 0.0040 . . . . . . . 89 GLN NE2 . 25809 1 872 . 1 1 91 91 PRO HA H 1 4.505 0.0012 . . . . . . . 90 PRO HA . 25809 1 873 . 1 1 91 91 PRO HB2 H 1 1.840 0.0000 . . . . . . . 90 PRO HB2 . 25809 1 874 . 1 1 91 91 PRO HG3 H 1 1.767 0.0055 . . . . . . . 90 PRO HG3 . 25809 1 875 . 1 1 91 91 PRO HD2 H 1 3.796 0.0010 . . . . . . . 90 PRO HD2 . 25809 1 876 . 1 1 91 91 PRO C C 13 175.9 0.0000 . . . . . . . 90 PRO CO . 25809 1 877 . 1 1 91 91 PRO CA C 13 63.34 0.0787 . . . . . . . 90 PRO CA . 25809 1 878 . 1 1 91 91 PRO CB C 13 31.56 0.1167 . . . . . . . 90 PRO CB . 25809 1 879 . 1 1 91 91 PRO CG C 13 27.25 0.1490 . . . . . . . 90 PRO CG . 25809 1 880 . 1 1 91 91 PRO CD C 13 50.66 0.0167 . . . . . . . 90 PRO CD . 25809 1 881 . 1 1 92 92 LYS H H 1 8.657 0.0318 . . . . . . . 91 LYS HN . 25809 1 882 . 1 1 92 92 LYS HA H 1 4.589 0.0045 . . . . . . . 91 LYS HA . 25809 1 883 . 1 1 92 92 LYS HB2 H 1 1.734 0.0066 . . . . . . . 91 LYS HB2 . 25809 1 884 . 1 1 92 92 LYS HB3 H 1 1.654 0.0075 . . . . . . . 91 LYS HB3 . 25809 1 885 . 1 1 92 92 LYS HG3 H 1 1.335 0.0020 . . . . . . . 91 LYS HG3 . 25809 1 886 . 1 1 92 92 LYS C C 13 174.7 0.0000 . . . . . . . 91 LYS CO . 25809 1 887 . 1 1 92 92 LYS CA C 13 54.72 0.1375 . . . . . . . 91 LYS CA . 25809 1 888 . 1 1 92 92 LYS CB C 13 35.22 0.1876 . . . . . . . 91 LYS CB . 25809 1 889 . 1 1 92 92 LYS CG C 13 25.04 0.0887 . . . . . . . 91 LYS CG . 25809 1 890 . 1 1 92 92 LYS CD C 13 28.97 0.2055 . . . . . . . 91 LYS CD . 25809 1 891 . 1 1 92 92 LYS CE C 13 41.94 0.0245 . . . . . . . 91 LYS CE . 25809 1 892 . 1 1 92 92 LYS N N 15 125.3 0.2170 . . . . . . . 91 LYS N . 25809 1 893 . 1 1 93 93 ILE H H 1 8.418 0.0255 . . . . . . . 92 ILE HN . 25809 1 894 . 1 1 93 93 ILE HA H 1 4.793 0.0021 . . . . . . . 92 ILE HA . 25809 1 895 . 1 1 93 93 ILE HB H 1 1.698 0.0052 . . . . . . . 92 ILE HB . 25809 1 896 . 1 1 93 93 ILE HG12 H 1 1.426 0.0017 . . . . . . . 92 ILE HG12 . 25809 1 897 . 1 1 93 93 ILE HG13 H 1 0.7498 0.0010 . . . . . . . 92 ILE HG13 . 25809 1 898 . 1 1 93 93 ILE HG21 H 1 0.6202 0.0050 . . . . . . . 92 ILE HG2 . 25809 1 899 . 1 1 93 93 ILE HG22 H 1 0.6202 0.0050 . . . . . . . 92 ILE HG2 . 25809 1 900 . 1 1 93 93 ILE HG23 H 1 0.6202 0.0050 . . . . . . . 92 ILE HG2 . 25809 1 901 . 1 1 93 93 ILE HD11 H 1 0.7485 0.0056 . . . . . . . 92 ILE HD . 25809 1 902 . 1 1 93 93 ILE HD12 H 1 0.7485 0.0056 . . . . . . . 92 ILE HD . 25809 1 903 . 1 1 93 93 ILE HD13 H 1 0.7485 0.0056 . . . . . . . 92 ILE HD . 25809 1 904 . 1 1 93 93 ILE C C 13 175.7 0.0000 . . . . . . . 92 ILE CO . 25809 1 905 . 1 1 93 93 ILE CA C 13 60.25 0.1042 . . . . . . . 92 ILE CA . 25809 1 906 . 1 1 93 93 ILE CB C 13 38.64 0.0762 . . . . . . . 92 ILE CB . 25809 1 907 . 1 1 93 93 ILE CG1 C 13 28.13 0.1367 . . . . . . . 92 ILE CG1 . 25809 1 908 . 1 1 93 93 ILE CG2 C 13 18.11 0.1136 . . . . . . . 92 ILE CG2 . 25809 1 909 . 1 1 93 93 ILE CD1 C 13 12.88 0.1419 . . . . . . . 92 ILE CD . 25809 1 910 . 1 1 93 93 ILE N N 15 125.4 0.1817 . . . . . . . 92 ILE N . 25809 1 911 . 1 1 94 94 VAL H H 1 8.999 0.0295 . . . . . . . 93 VAL HN . 25809 1 912 . 1 1 94 94 VAL HA H 1 4.326 0.0026 . . . . . . . 93 VAL HA . 25809 1 913 . 1 1 94 94 VAL HB H 1 1.894 0.0005 . . . . . . . 93 VAL HB . 25809 1 914 . 1 1 94 94 VAL C C 13 175.2 0.0000 . . . . . . . 93 VAL CO . 25809 1 915 . 1 1 94 94 VAL CA C 13 61.27 0.0950 . . . . . . . 93 VAL CA . 25809 1 916 . 1 1 94 94 VAL CB C 13 33.74 0.1358 . . . . . . . 93 VAL CB . 25809 1 917 . 1 1 94 94 VAL CG1 C 13 21.32 0.0125 . . . . . . . 93 VAL CG1 . 25809 1 918 . 1 1 94 94 VAL N N 15 129.8 0.2107 . . . . . . . 93 VAL N . 25809 1 919 . 1 1 95 95 LYS H H 1 8.709 0.0284 . . . . . . . 94 LYS HN . 25809 1 920 . 1 1 95 95 LYS HA H 1 4.469 0.0052 . . . . . . . 94 LYS HA . 25809 1 921 . 1 1 95 95 LYS HB2 H 1 1.860 0.0057 . . . . . . . 94 LYS HB2 . 25809 1 922 . 1 1 95 95 LYS HE2 H 1 2.996 0.0000 . . . . . . . 94 LYS HE . 25809 1 923 . 1 1 95 95 LYS HE3 H 1 2.996 0.0000 . . . . . . . 94 LYS HE . 25809 1 924 . 1 1 95 95 LYS C C 13 176.2 0.0000 . . . . . . . 94 LYS CO . 25809 1 925 . 1 1 95 95 LYS CA C 13 56.24 0.1372 . . . . . . . 94 LYS CA . 25809 1 926 . 1 1 95 95 LYS CB C 13 33.49 0.1112 . . . . . . . 94 LYS CB . 25809 1 927 . 1 1 95 95 LYS CE C 13 41.87 0.0233 . . . . . . . 94 LYS CE . 25809 1 928 . 1 1 95 95 LYS N N 15 127.9 0.2000 . . . . . . . 94 LYS N . 25809 1 929 . 1 1 96 96 TRP H H 1 8.639 0.0306 . . . . . . . 95 TRP HN . 25809 1 930 . 1 1 96 96 TRP HA H 1 4.650 0.0000 . . . . . . . 95 TRP HA . 25809 1 931 . 1 1 96 96 TRP HB2 H 1 3.510 0.0000 . . . . . . . 95 TRP HB2 . 25809 1 932 . 1 1 96 96 TRP HB3 H 1 2.609 0.0000 . . . . . . . 95 TRP HB3 . 25809 1 933 . 1 1 96 96 TRP HE1 H 1 10.41 0.0000 . . . . . . . 95 TRP HE1 . 25809 1 934 . 1 1 96 96 TRP C C 13 174.5 0.0000 . . . . . . . 95 TRP CO . 25809 1 935 . 1 1 96 96 TRP CA C 13 56.70 0.0553 . . . . . . . 95 TRP CA . 25809 1 936 . 1 1 96 96 TRP CB C 13 28.08 0.0910 . . . . . . . 95 TRP CB . 25809 1 937 . 1 1 96 96 TRP N N 15 122.6 0.2044 . . . . . . . 95 TRP N . 25809 1 938 . 1 1 96 96 TRP NE1 N 15 129.7 0.0000 . . . . . . . 95 TRP NE1 . 25809 1 939 . 1 1 97 97 ASP H H 1 8.383 0.0284 . . . . . . . 96 ASP HN . 25809 1 940 . 1 1 97 97 ASP HA H 1 4.497 0.0040 . . . . . . . 96 ASP HA . 25809 1 941 . 1 1 97 97 ASP HB2 H 1 2.754 0.0000 . . . . . . . 96 ASP HB2 . 25809 1 942 . 1 1 97 97 ASP HB3 H 1 2.476 0.0000 . . . . . . . 96 ASP HB3 . 25809 1 943 . 1 1 97 97 ASP C C 13 175.0 0.0000 . . . . . . . 96 ASP CO . 25809 1 944 . 1 1 97 97 ASP CA C 13 52.82 0.0720 . . . . . . . 96 ASP CA . 25809 1 945 . 1 1 97 97 ASP CB C 13 41.62 0.0785 . . . . . . . 96 ASP CB . 25809 1 946 . 1 1 97 97 ASP N N 15 131.6 0.1996 . . . . . . . 96 ASP N . 25809 1 947 . 1 1 98 98 ARG H H 1 7.360 0.0294 . . . . . . . 97 ARG HN . 25809 1 948 . 1 1 98 98 ARG HB2 H 1 1.418 0.0043 . . . . . . . 97 ARG HB2 . 25809 1 949 . 1 1 98 98 ARG HB3 H 1 1.140 0.0000 . . . . . . . 97 ARG HB3 . 25809 1 950 . 1 1 98 98 ARG C C 13 175.6 0.0000 . . . . . . . 97 ARG CO . 25809 1 951 . 1 1 98 98 ARG CA C 13 56.49 0.0759 . . . . . . . 97 ARG CA . 25809 1 952 . 1 1 98 98 ARG CB C 13 29.71 0.1634 . . . . . . . 97 ARG CB . 25809 1 953 . 1 1 98 98 ARG CD C 13 43.33 0.1125 . . . . . . . 97 ARG CD . 25809 1 954 . 1 1 98 98 ARG N N 15 120.7 0.2016 . . . . . . . 97 ARG N . 25809 1 955 . 1 1 99 99 ASP H H 1 8.132 0.0288 . . . . . . . 98 ASP HN . 25809 1 956 . 1 1 99 99 ASP HA H 1 4.661 0.0000 . . . . . . . 98 ASP HA . 25809 1 957 . 1 1 99 99 ASP HB2 H 1 2.765 0.0040 . . . . . . . 98 ASP HB2 . 25809 1 958 . 1 1 99 99 ASP HB3 H 1 2.604 0.0005 . . . . . . . 98 ASP HB3 . 25809 1 959 . 1 1 99 99 ASP C C 13 175.2 0.0000 . . . . . . . 98 ASP CO . 25809 1 960 . 1 1 99 99 ASP CA C 13 54.44 0.0556 . . . . . . . 98 ASP CA . 25809 1 961 . 1 1 99 99 ASP CB C 13 41.02 0.2029 . . . . . . . 98 ASP CB . 25809 1 962 . 1 1 99 99 ASP N N 15 120.2 0.2658 . . . . . . . 98 ASP N . 25809 1 963 . 1 1 100 100 MET H H 1 7.527 0.0273 . . . . . . . 99 MET HN . 25809 1 964 . 1 1 100 100 MET HA H 1 4.300 0.0000 . . . . . . . 99 MET HA . 25809 1 965 . 1 1 100 100 MET HB2 H 1 2.175 0.0025 . . . . . . . 99 MET HB2 . 25809 1 966 . 1 1 100 100 MET HB3 H 1 2.040 0.0000 . . . . . . . 99 MET HB3 . 25809 1 967 . 1 1 100 100 MET HG2 H 1 2.573 0.0086 . . . . . . . 99 MET HG2 . 25809 1 968 . 1 1 100 100 MET CA C 13 57.17 0.0545 . . . . . . . 99 MET CA . 25809 1 969 . 1 1 100 100 MET CB C 13 34.09 0.0493 . . . . . . . 99 MET CB . 25809 1 970 . 1 1 100 100 MET CG C 13 32.22 0.1759 . . . . . . . 99 MET CG . 25809 1 971 . 1 1 100 100 MET N N 15 125.2 0.1863 . . . . . . . 99 MET N . 25809 1 stop_ save_