data_36175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36175 _Entry.Title ; A-ubiquitin like protein from the trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-02 _Entry.Accession_date 2018-10-01 _Entry.Last_release_date 2018-10-01 _Entry.Original_release_date 2018-10-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 36175 stop_ 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 J. Mi J. . . . 36175 2 X. Tu X. M. . . 36175 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 36175 'STRUCTURE FROM CYANA 3.0' . 36175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 236 36175 '15N chemical shifts' 81 36175 '1H chemical shifts' 497 36175 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-03-06 2018-04-02 update BMRB 'update entry citation' 36175 1 . . 2018-12-07 2018-04-02 original author 'original release' 36175 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5ZMB . 36175 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36175 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/pro.3492 _Citation.PubMed_ID 30058168 _Citation.Full_citation . _Citation.Title ; Solution structure of a ubiquitin-like protein from Trypanosoma brucei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 27 _Citation.Journal_issue 10 _Citation.Journal_ASTM PRCIEI _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0795 _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 1831 _Citation.Page_last 1836 _Citation.Year 2018 _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 J. Mi J. . . . 36175 1 2 J. Zhang J. . . . 36175 1 3 S. Liao S. . . . 36175 1 4 X. Tu X. . . . 36175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36175 _Assembly.ID 1 _Assembly.Name 'ubiquintin-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquintin-like protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSETIPVSVQCCEGRFELSV DSNHTLRDVLRQFKREVAAL DPINLEEYVVNHEGKLLLDD SVTLQTVGVKKDSVFVLVRK A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UNP residues 1-81' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9141.467 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 10 MET . 36175 1 2 11 SER . 36175 1 3 12 GLU . 36175 1 4 13 THR . 36175 1 5 14 ILE . 36175 1 6 15 PRO . 36175 1 7 16 VAL . 36175 1 8 17 SER . 36175 1 9 18 VAL . 36175 1 10 19 GLN . 36175 1 11 20 CYS . 36175 1 12 21 CYS . 36175 1 13 22 GLU . 36175 1 14 23 GLY . 36175 1 15 24 ARG . 36175 1 16 25 PHE . 36175 1 17 26 GLU . 36175 1 18 27 LEU . 36175 1 19 28 SER . 36175 1 20 29 VAL . 36175 1 21 30 ASP . 36175 1 22 31 SER . 36175 1 23 32 ASN . 36175 1 24 33 HIS . 36175 1 25 34 THR . 36175 1 26 35 LEU . 36175 1 27 36 ARG . 36175 1 28 37 ASP . 36175 1 29 38 VAL . 36175 1 30 39 LEU . 36175 1 31 40 ARG . 36175 1 32 41 GLN . 36175 1 33 42 PHE . 36175 1 34 43 LYS . 36175 1 35 44 ARG . 36175 1 36 45 GLU . 36175 1 37 46 VAL . 36175 1 38 47 ALA . 36175 1 39 48 ALA . 36175 1 40 49 LEU . 36175 1 41 50 ASP . 36175 1 42 51 PRO . 36175 1 43 52 ILE . 36175 1 44 53 ASN . 36175 1 45 54 LEU . 36175 1 46 55 GLU . 36175 1 47 56 GLU . 36175 1 48 57 TYR . 36175 1 49 58 VAL . 36175 1 50 59 VAL . 36175 1 51 60 ASN . 36175 1 52 61 HIS . 36175 1 53 62 GLU . 36175 1 54 63 GLY . 36175 1 55 64 LYS . 36175 1 56 65 LEU . 36175 1 57 66 LEU . 36175 1 58 67 LEU . 36175 1 59 68 ASP . 36175 1 60 69 ASP . 36175 1 61 70 SER . 36175 1 62 71 VAL . 36175 1 63 72 THR . 36175 1 64 73 LEU . 36175 1 65 74 GLN . 36175 1 66 75 THR . 36175 1 67 76 VAL . 36175 1 68 77 GLY . 36175 1 69 78 VAL . 36175 1 70 79 LYS . 36175 1 71 80 LYS . 36175 1 72 81 ASP . 36175 1 73 82 SER . 36175 1 74 83 VAL . 36175 1 75 84 PHE . 36175 1 76 85 VAL . 36175 1 77 86 LEU . 36175 1 78 87 VAL . 36175 1 79 88 ARG . 36175 1 80 89 LYS . 36175 1 81 90 ALA . 36175 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 36175 1 . SER 2 2 36175 1 . GLU 3 3 36175 1 . THR 4 4 36175 1 . ILE 5 5 36175 1 . PRO 6 6 36175 1 . VAL 7 7 36175 1 . SER 8 8 36175 1 . VAL 9 9 36175 1 . GLN 10 10 36175 1 . CYS 11 11 36175 1 . CYS 12 12 36175 1 . GLU 13 13 36175 1 . GLY 14 14 36175 1 . ARG 15 15 36175 1 . PHE 16 16 36175 1 . GLU 17 17 36175 1 . LEU 18 18 36175 1 . SER 19 19 36175 1 . VAL 20 20 36175 1 . ASP 21 21 36175 1 . SER 22 22 36175 1 . ASN 23 23 36175 1 . HIS 24 24 36175 1 . THR 25 25 36175 1 . LEU 26 26 36175 1 . ARG 27 27 36175 1 . ASP 28 28 36175 1 . VAL 29 29 36175 1 . LEU 30 30 36175 1 . ARG 31 31 36175 1 . GLN 32 32 36175 1 . PHE 33 33 36175 1 . LYS 34 34 36175 1 . ARG 35 35 36175 1 . GLU 36 36 36175 1 . VAL 37 37 36175 1 . ALA 38 38 36175 1 . ALA 39 39 36175 1 . LEU 40 40 36175 1 . ASP 41 41 36175 1 . PRO 42 42 36175 1 . ILE 43 43 36175 1 . ASN 44 44 36175 1 . LEU 45 45 36175 1 . GLU 46 46 36175 1 . GLU 47 47 36175 1 . TYR 48 48 36175 1 . VAL 49 49 36175 1 . VAL 50 50 36175 1 . ASN 51 51 36175 1 . HIS 52 52 36175 1 . GLU 53 53 36175 1 . GLY 54 54 36175 1 . LYS 55 55 36175 1 . LEU 56 56 36175 1 . LEU 57 57 36175 1 . LEU 58 58 36175 1 . ASP 59 59 36175 1 . ASP 60 60 36175 1 . SER 61 61 36175 1 . VAL 62 62 36175 1 . THR 63 63 36175 1 . LEU 64 64 36175 1 . GLN 65 65 36175 1 . THR 66 66 36175 1 . VAL 67 67 36175 1 . GLY 68 68 36175 1 . VAL 69 69 36175 1 . LYS 70 70 36175 1 . LYS 71 71 36175 1 . ASP 72 72 36175 1 . SER 73 73 36175 1 . VAL 74 74 36175 1 . PHE 75 75 36175 1 . VAL 76 76 36175 1 . LEU 77 77 36175 1 . VAL 78 78 36175 1 . ARG 79 79 36175 1 . LYS 80 80 36175 1 . ALA 81 81 36175 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 36175 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 185431 organism . 'Trypanosoma brucei brucei TREU927' 'Trypanosoma brucei' . . Metazoa . Trypanosoma brucei . . . . . . . . . . . Tb927.6.3140 . 36175 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 36175 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 36175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36175 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-99% 15N] ubiquitin-like protein, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like protein' '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . protein 0.5 . . mM . . . . 36175 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36175 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36175 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 36175 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 36175 1 pH 6.5 . pH 36175 1 pressure 1 . atm 36175 1 temperature 293 . K 36175 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36175 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36175 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36175 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36175 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36175 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 36175 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36175 _Software.ID 3 _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 . . 36175 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36175 3 'peak picking' 36175 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 36175 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 36175 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 36175 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36175 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36175 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36175 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36175 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36175 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36175 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36175 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 36175 1 H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 36175 1 N 15 DSS 'methyl carbons' . . . . ppm 0 internal indirect 0.10132912 . . . . . 36175 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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' 1 $sample_1 isotropic 36175 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36175 1 3 '3D HNCACB' 1 $sample_1 isotropic 36175 1 4 '3D C(CO)NH' 1 $sample_1 isotropic 36175 1 5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36175 1 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36175 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 1 1 MET HA H 1 4.450 0.005 . . . . . . A 10 MET HA . 36175 1 2 . 1 1 1 1 MET HB2 H 1 2.021 0.000 . . . . . . A 10 MET HB2 . 36175 1 3 . 1 1 1 1 MET HB3 H 1 2.021 0.000 . . . . . . A 10 MET HB3 . 36175 1 4 . 1 1 1 1 MET HG2 H 1 2.525 0.000 . . . . . . A 10 MET HG2 . 36175 1 5 . 1 1 1 1 MET HG3 H 1 2.525 0.000 . . . . . . A 10 MET HG3 . 36175 1 6 . 1 1 1 1 MET HE1 H 1 2.045 0.000 . . . . . . A 10 MET HE1 . 36175 1 7 . 1 1 1 1 MET HE2 H 1 2.045 0.000 . . . . . . A 10 MET HE2 . 36175 1 8 . 1 1 1 1 MET HE3 H 1 2.045 0.000 . . . . . . A 10 MET HE3 . 36175 1 9 . 1 1 1 1 MET CA C 13 54.678 0.132 . . . . . . A 10 MET CA . 36175 1 10 . 1 1 1 1 MET CB C 13 31.938 0.082 . . . . . . A 10 MET CB . 36175 1 11 . 1 1 1 1 MET CG C 13 30.847 0.000 . . . . . . A 10 MET CG . 36175 1 12 . 1 1 1 1 MET CE C 13 16.344 0.000 . . . . . . A 10 MET CE . 36175 1 13 . 1 1 2 2 SER H H 1 8.268 0.005 . . . . . . A 11 SER H . 36175 1 14 . 1 1 2 2 SER HB2 H 1 3.783 0.003 . . . . . . A 11 SER HB2 . 36175 1 15 . 1 1 2 2 SER HB3 H 1 3.783 0.003 . . . . . . A 11 SER HB3 . 36175 1 16 . 1 1 2 2 SER CA C 13 57.435 0.031 . . . . . . A 11 SER CA . 36175 1 17 . 1 1 2 2 SER CB C 13 63.117 0.062 . . . . . . A 11 SER CB . 36175 1 18 . 1 1 2 2 SER N N 15 117.145 0.018 . . . . . . A 11 SER N . 36175 1 19 . 1 1 3 3 GLU H H 1 8.507 0.007 . . . . . . A 12 GLU H . 36175 1 20 . 1 1 3 3 GLU HA H 1 4.420 0.001 . . . . . . A 12 GLU HA . 36175 1 21 . 1 1 3 3 GLU HB2 H 1 2.026 0.002 . . . . . . A 12 GLU HB2 . 36175 1 22 . 1 1 3 3 GLU HB3 H 1 1.869 0.000 . . . . . . A 12 GLU HB3 . 36175 1 23 . 1 1 3 3 GLU HG2 H 1 2.172 0.000 . . . . . . A 12 GLU HG2 . 36175 1 24 . 1 1 3 3 GLU HG3 H 1 2.172 0.000 . . . . . . A 12 GLU HG3 . 36175 1 25 . 1 1 3 3 GLU CA C 13 55.360 0.060 . . . . . . A 12 GLU CA . 36175 1 26 . 1 1 3 3 GLU CB C 13 30.152 0.053 . . . . . . A 12 GLU CB . 36175 1 27 . 1 1 3 3 GLU CG C 13 35.220 0.000 . . . . . . A 12 GLU CG . 36175 1 28 . 1 1 3 3 GLU N N 15 123.456 0.056 . . . . . . A 12 GLU N . 36175 1 29 . 1 1 4 4 THR H H 1 8.138 0.005 . . . . . . A 13 THR H . 36175 1 30 . 1 1 4 4 THR HA H 1 4.826 0.007 . . . . . . A 13 THR HA . 36175 1 31 . 1 1 4 4 THR HB H 1 3.839 0.003 . . . . . . A 13 THR HB . 36175 1 32 . 1 1 4 4 THR HG21 H 1 0.905 0.004 . . . . . . A 13 THR HG21 . 36175 1 33 . 1 1 4 4 THR HG22 H 1 0.905 0.004 . . . . . . A 13 THR HG22 . 36175 1 34 . 1 1 4 4 THR HG23 H 1 0.905 0.004 . . . . . . A 13 THR HG23 . 36175 1 35 . 1 1 4 4 THR CA C 13 60.226 0.042 . . . . . . A 13 THR CA . 36175 1 36 . 1 1 4 4 THR CB C 13 69.481 0.019 . . . . . . A 13 THR CB . 36175 1 37 . 1 1 4 4 THR CG2 C 13 20.558 0.000 . . . . . . A 13 THR CG2 . 36175 1 38 . 1 1 4 4 THR N N 15 116.741 0.035 . . . . . . A 13 THR N . 36175 1 39 . 1 1 5 5 ILE H H 1 9.291 0.006 . . . . . . A 14 ILE H . 36175 1 40 . 1 1 5 5 ILE CA C 13 56.795 0.000 . . . . . . A 14 ILE CA . 36175 1 41 . 1 1 5 5 ILE CB C 13 40.975 0.000 . . . . . . A 14 ILE CB . 36175 1 42 . 1 1 5 5 ILE N N 15 120.330 0.029 . . . . . . A 14 ILE N . 36175 1 43 . 1 1 6 6 PRO HA H 1 5.076 0.006 . . . . . . A 15 PRO HA . 36175 1 44 . 1 1 6 6 PRO HB2 H 1 1.988 0.005 . . . . . . A 15 PRO HB2 . 36175 1 45 . 1 1 6 6 PRO HB3 H 1 1.988 0.005 . . . . . . A 15 PRO HB3 . 36175 1 46 . 1 1 6 6 PRO HG2 H 1 2.292 0.006 . . . . . . A 15 PRO HG2 . 36175 1 47 . 1 1 6 6 PRO HG3 H 1 2.292 0.006 . . . . . . A 15 PRO HG3 . 36175 1 48 . 1 1 6 6 PRO HD2 H 1 3.821 0.000 . . . . . . A 15 PRO HD2 . 36175 1 49 . 1 1 6 6 PRO HD3 H 1 3.821 0.000 . . . . . . A 15 PRO HD3 . 36175 1 50 . 1 1 6 6 PRO CA C 13 61.411 0.056 . . . . . . A 15 PRO CA . 36175 1 51 . 1 1 6 6 PRO CB C 13 30.354 0.148 . . . . . . A 15 PRO CB . 36175 1 52 . 1 1 6 6 PRO CG C 13 26.521 0.000 . . . . . . A 15 PRO CG . 36175 1 53 . 1 1 6 6 PRO CD C 13 50.140 0.000 . . . . . . A 15 PRO CD . 36175 1 54 . 1 1 7 7 VAL H H 1 8.820 0.007 . . . . . . A 16 VAL H . 36175 1 55 . 1 1 7 7 VAL HA H 1 4.746 0.005 . . . . . . A 16 VAL HA . 36175 1 56 . 1 1 7 7 VAL HB H 1 1.955 0.008 . . . . . . A 16 VAL HB . 36175 1 57 . 1 1 7 7 VAL HG11 H 1 0.756 0.003 . . . . . . A 16 VAL HG11 . 36175 1 58 . 1 1 7 7 VAL HG12 H 1 0.777 0.000 . . . . . . A 16 VAL HG12 . 36175 1 59 . 1 1 7 7 VAL HG13 H 1 0.756 0.003 . . . . . . A 16 VAL HG13 . 36175 1 60 . 1 1 7 7 VAL HG21 H 1 0.677 0.000 . . . . . . A 16 VAL HG21 . 36175 1 61 . 1 1 7 7 VAL HG22 H 1 0.677 0.000 . . . . . . A 16 VAL HG22 . 36175 1 62 . 1 1 7 7 VAL HG23 H 1 0.677 0.000 . . . . . . A 16 VAL HG23 . 36175 1 63 . 1 1 7 7 VAL CA C 13 55.918 7.005 . . . . . . A 16 VAL CA . 36175 1 64 . 1 1 7 7 VAL CB C 13 35.155 0.116 . . . . . . A 16 VAL CB . 36175 1 65 . 1 1 7 7 VAL CG1 C 13 20.526 0.000 . . . . . . A 16 VAL CG1 . 36175 1 66 . 1 1 7 7 VAL CG2 C 13 19.088 0.000 . . . . . . A 16 VAL CG2 . 36175 1 67 . 1 1 7 7 VAL N N 15 118.719 0.036 . . . . . . A 16 VAL N . 36175 1 68 . 1 1 8 8 SER H H 1 8.429 0.009 . . . . . . A 17 SER H . 36175 1 69 . 1 1 8 8 SER HA H 1 6.055 0.006 . . . . . . A 17 SER HA . 36175 1 70 . 1 1 8 8 SER HB2 H 1 3.518 0.007 . . . . . . A 17 SER HB2 . 36175 1 71 . 1 1 8 8 SER HB3 H 1 3.540 0.000 . . . . . . A 17 SER HB3 . 36175 1 72 . 1 1 8 8 SER CA C 13 56.027 0.096 . . . . . . A 17 SER CA . 36175 1 73 . 1 1 8 8 SER CB C 13 66.007 0.133 . . . . . . A 17 SER CB . 36175 1 74 . 1 1 8 8 SER N N 15 113.660 0.055 . . . . . . A 17 SER N . 36175 1 75 . 1 1 9 9 VAL H H 1 8.784 0.005 . . . . . . A 18 VAL H . 36175 1 76 . 1 1 9 9 VAL HA H 1 4.912 0.011 . . . . . . A 18 VAL HA . 36175 1 77 . 1 1 9 9 VAL HB H 1 1.317 0.012 . . . . . . A 18 VAL HB . 36175 1 78 . 1 1 9 9 VAL HG11 H 1 0.516 0.000 . . . . . . A 18 VAL HG11 . 36175 1 79 . 1 1 9 9 VAL HG12 H 1 0.516 0.004 . . . . . . A 18 VAL HG12 . 36175 1 80 . 1 1 9 9 VAL HG13 H 1 0.516 0.000 . . . . . . A 18 VAL HG13 . 36175 1 81 . 1 1 9 9 VAL HG21 H 1 0.099 0.002 . . . . . . A 18 VAL HG21 . 36175 1 82 . 1 1 9 9 VAL HG22 H 1 0.099 0.002 . . . . . . A 18 VAL HG22 . 36175 1 83 . 1 1 9 9 VAL HG23 H 1 0.099 0.002 . . . . . . A 18 VAL HG23 . 36175 1 84 . 1 1 9 9 VAL CA C 13 59.292 0.035 . . . . . . A 18 VAL CA . 36175 1 85 . 1 1 9 9 VAL CB C 13 33.867 0.099 . . . . . . A 18 VAL CB . 36175 1 86 . 1 1 9 9 VAL CG1 C 13 20.086 0.178 . . . . . . A 18 VAL CG1 . 36175 1 87 . 1 1 9 9 VAL CG2 C 13 20.086 0.178 . . . . . . A 18 VAL CG2 . 36175 1 88 . 1 1 9 9 VAL N N 15 120.513 0.030 . . . . . . A 18 VAL N . 36175 1 89 . 1 1 10 10 GLN H H 1 8.959 0.005 . . . . . . A 19 GLN H . 36175 1 90 . 1 1 10 10 GLN HA H 1 5.112 0.004 . . . . . . A 19 GLN HA . 36175 1 91 . 1 1 10 10 GLN HB2 H 1 1.885 0.002 . . . . . . A 19 GLN HB2 . 36175 1 92 . 1 1 10 10 GLN HB3 H 1 1.693 0.001 . . . . . . A 19 GLN HB3 . 36175 1 93 . 1 1 10 10 GLN HG2 H 1 2.258 0.000 . . . . . . A 19 GLN HG2 . 36175 1 94 . 1 1 10 10 GLN HG3 H 1 2.137 0.000 . . . . . . A 19 GLN HG3 . 36175 1 95 . 1 1 10 10 GLN CA C 13 53.118 0.196 . . . . . . A 19 GLN CA . 36175 1 96 . 1 1 10 10 GLN CB C 13 31.312 0.049 . . . . . . A 19 GLN CB . 36175 1 97 . 1 1 10 10 GLN CG C 13 32.944 0.000 . . . . . . A 19 GLN CG . 36175 1 98 . 1 1 10 10 GLN N N 15 126.518 0.044 . . . . . . A 19 GLN N . 36175 1 99 . 1 1 11 11 CYS H H 1 8.967 0.006 . . . . . . A 20 CYS H . 36175 1 100 . 1 1 11 11 CYS CA C 13 55.327 0.000 . . . . . . A 20 CYS CA . 36175 1 101 . 1 1 11 11 CYS CB C 13 30.267 0.000 . . . . . . A 20 CYS CB . 36175 1 102 . 1 1 11 11 CYS N N 15 120.750 0.032 . . . . . . A 20 CYS N . 36175 1 103 . 1 1 13 13 GLU H H 1 8.059 0.002 . . . . . . A 22 GLU H . 36175 1 104 . 1 1 13 13 GLU HA H 1 4.345 0.003 . . . . . . A 22 GLU HA . 36175 1 105 . 1 1 13 13 GLU HB2 H 1 2.373 0.000 . . . . . . A 22 GLU HB2 . 36175 1 106 . 1 1 13 13 GLU HB3 H 1 1.767 0.001 . . . . . . A 22 GLU HB3 . 36175 1 107 . 1 1 13 13 GLU HG2 H 1 2.357 0.001 . . . . . . A 22 GLU HG2 . 36175 1 108 . 1 1 13 13 GLU HG3 H 1 2.357 0.001 . . . . . . A 22 GLU HG3 . 36175 1 109 . 1 1 13 13 GLU CA C 13 55.918 0.000 . . . . . . A 22 GLU CA . 36175 1 110 . 1 1 13 13 GLU CB C 13 28.899 0.000 . . . . . . A 22 GLU CB . 36175 1 111 . 1 1 13 13 GLU CG C 13 35.293 0.000 . . . . . . A 22 GLU CG . 36175 1 112 . 1 1 13 13 GLU N N 15 117.681 0.023 . . . . . . A 22 GLU N . 36175 1 113 . 1 1 14 14 GLY H H 1 7.743 0.006 . . . . . . A 23 GLY H . 36175 1 114 . 1 1 14 14 GLY HA2 H 1 4.103 0.001 . . . . . . A 23 GLY HA2 . 36175 1 115 . 1 1 14 14 GLY HA3 H 1 3.647 0.003 . . . . . . A 23 GLY HA3 . 36175 1 116 . 1 1 14 14 GLY CA C 13 43.715 0.098 . . . . . . A 23 GLY CA . 36175 1 117 . 1 1 14 14 GLY N N 15 107.579 0.024 . . . . . . A 23 GLY N . 36175 1 118 . 1 1 15 15 ARG H H 1 7.505 0.009 . . . . . . A 24 ARG H . 36175 1 119 . 1 1 15 15 ARG HA H 1 5.266 0.008 . . . . . . A 24 ARG HA . 36175 1 120 . 1 1 15 15 ARG HB2 H 1 1.507 0.006 . . . . . . A 24 ARG HB2 . 36175 1 121 . 1 1 15 15 ARG HB3 H 1 1.507 0.006 . . . . . . A 24 ARG HB3 . 36175 1 122 . 1 1 15 15 ARG HD2 H 1 3.058 0.000 . . . . . . A 24 ARG HD2 . 36175 1 123 . 1 1 15 15 ARG HD3 H 1 3.058 0.000 . . . . . . A 24 ARG HD3 . 36175 1 124 . 1 1 15 15 ARG CA C 13 53.215 0.114 . . . . . . A 24 ARG CA . 36175 1 125 . 1 1 15 15 ARG CB C 13 31.582 0.080 . . . . . . A 24 ARG CB . 36175 1 126 . 1 1 15 15 ARG CG C 13 26.880 0.000 . . . . . . A 24 ARG CG . 36175 1 127 . 1 1 15 15 ARG CD C 13 42.660 0.000 . . . . . . A 24 ARG CD . 36175 1 128 . 1 1 15 15 ARG N N 15 120.238 0.054 . . . . . . A 24 ARG N . 36175 1 129 . 1 1 16 16 PHE H H 1 8.703 0.009 . . . . . . A 25 PHE H . 36175 1 130 . 1 1 16 16 PHE HA H 1 4.935 0.008 . . . . . . A 25 PHE HA . 36175 1 131 . 1 1 16 16 PHE HB2 H 1 3.387 0.007 . . . . . . A 25 PHE HB2 . 36175 1 132 . 1 1 16 16 PHE HB3 H 1 2.693 0.004 . . . . . . A 25 PHE HB3 . 36175 1 133 . 1 1 16 16 PHE HD1 H 1 7.104 0.006 . . . . . . A 25 PHE HD1 . 36175 1 134 . 1 1 16 16 PHE HD2 H 1 6.933 0.001 . . . . . . A 25 PHE HD2 . 36175 1 135 . 1 1 16 16 PHE CA C 13 55.924 0.055 . . . . . . A 25 PHE CA . 36175 1 136 . 1 1 16 16 PHE CB C 13 42.071 0.082 . . . . . . A 25 PHE CB . 36175 1 137 . 1 1 16 16 PHE N N 15 125.150 0.068 . . . . . . A 25 PHE N . 36175 1 138 . 1 1 17 17 GLU H H 1 8.788 0.005 . . . . . . A 26 GLU H . 36175 1 139 . 1 1 17 17 GLU HA H 1 5.422 0.008 . . . . . . A 26 GLU HA . 36175 1 140 . 1 1 17 17 GLU HB2 H 1 1.965 0.003 . . . . . . A 26 GLU HB2 . 36175 1 141 . 1 1 17 17 GLU HB3 H 1 1.965 0.003 . . . . . . A 26 GLU HB3 . 36175 1 142 . 1 1 17 17 GLU HG2 H 1 2.110 0.002 . . . . . . A 26 GLU HG2 . 36175 1 143 . 1 1 17 17 GLU HG3 H 1 2.110 0.002 . . . . . . A 26 GLU HG3 . 36175 1 144 . 1 1 17 17 GLU CA C 13 54.547 0.123 . . . . . . A 26 GLU CA . 36175 1 145 . 1 1 17 17 GLU CB C 13 32.524 0.054 . . . . . . A 26 GLU CB . 36175 1 146 . 1 1 17 17 GLU CG C 13 36.096 0.000 . . . . . . A 26 GLU CG . 36175 1 147 . 1 1 17 17 GLU N N 15 124.365 0.035 . . . . . . A 26 GLU N . 36175 1 148 . 1 1 18 18 LEU H H 1 8.908 0.005 . . . . . . A 27 LEU H . 36175 1 149 . 1 1 18 18 LEU HA H 1 4.492 0.009 . . . . . . A 27 LEU HA . 36175 1 150 . 1 1 18 18 LEU HB2 H 1 0.954 0.002 . . . . . . A 27 LEU HB2 . 36175 1 151 . 1 1 18 18 LEU HB3 H 1 0.837 0.000 . . . . . . A 27 LEU HB3 . 36175 1 152 . 1 1 18 18 LEU HG H 1 1.026 0.002 . . . . . . A 27 LEU HG . 36175 1 153 . 1 1 18 18 LEU HD11 H 1 0.605 0.011 . . . . . . A 27 LEU HD11 . 36175 1 154 . 1 1 18 18 LEU HD12 H 1 0.572 0.000 . . . . . . A 27 LEU HD12 . 36175 1 155 . 1 1 18 18 LEU HD13 H 1 0.572 0.000 . . . . . . A 27 LEU HD13 . 36175 1 156 . 1 1 18 18 LEU HD21 H 1 0.883 0.000 . . . . . . A 27 LEU HD21 . 36175 1 157 . 1 1 18 18 LEU HD22 H 1 0.045 0.010 . . . . . . A 27 LEU HD22 . 36175 1 158 . 1 1 18 18 LEU HD23 H 1 0.883 0.000 . . . . . . A 27 LEU HD23 . 36175 1 159 . 1 1 18 18 LEU CA C 13 53.549 0.025 . . . . . . A 27 LEU CA . 36175 1 160 . 1 1 18 18 LEU CB C 13 46.281 0.055 . . . . . . A 27 LEU CB . 36175 1 161 . 1 1 18 18 LEU CD1 C 13 23.545 0.000 . . . . . . A 27 LEU CD1 . 36175 1 162 . 1 1 18 18 LEU CD2 C 13 22.826 0.041 . . . . . . A 27 LEU CD2 . 36175 1 163 . 1 1 18 18 LEU N N 15 125.120 0.040 . . . . . . A 27 LEU N . 36175 1 164 . 1 1 19 19 SER H H 1 8.145 0.007 . . . . . . A 28 SER H . 36175 1 165 . 1 1 19 19 SER HA H 1 5.031 0.007 . . . . . . A 28 SER HA . 36175 1 166 . 1 1 19 19 SER HB2 H 1 3.569 0.007 . . . . . . A 28 SER HB2 . 36175 1 167 . 1 1 19 19 SER HB3 H 1 3.457 0.008 . . . . . . A 28 SER HB3 . 36175 1 168 . 1 1 19 19 SER CA C 13 57.396 0.097 . . . . . . A 28 SER CA . 36175 1 169 . 1 1 19 19 SER CB C 13 62.432 0.079 . . . . . . A 28 SER CB . 36175 1 170 . 1 1 19 19 SER N N 15 116.274 0.076 . . . . . . A 28 SER N . 36175 1 171 . 1 1 20 20 VAL H H 1 8.917 0.005 . . . . . . A 29 VAL H . 36175 1 172 . 1 1 20 20 VAL HA H 1 4.168 0.006 . . . . . . A 29 VAL HA . 36175 1 173 . 1 1 20 20 VAL HB H 1 2.014 0.006 . . . . . . A 29 VAL HB . 36175 1 174 . 1 1 20 20 VAL HG11 H 1 0.694 0.009 . . . . . . A 29 VAL HG11 . 36175 1 175 . 1 1 20 20 VAL HG12 H 1 0.694 0.009 . . . . . . A 29 VAL HG12 . 36175 1 176 . 1 1 20 20 VAL HG13 H 1 0.694 0.009 . . . . . . A 29 VAL HG13 . 36175 1 177 . 1 1 20 20 VAL CA C 13 57.216 0.000 . . . . . . A 29 VAL CA . 36175 1 178 . 1 1 20 20 VAL CB C 13 34.428 0.060 . . . . . . A 29 VAL CB . 36175 1 179 . 1 1 20 20 VAL CG1 C 13 20.467 0.000 . . . . . . A 29 VAL CG1 . 36175 1 180 . 1 1 20 20 VAL CG2 C 13 18.267 0.000 . . . . . . A 29 VAL CG2 . 36175 1 181 . 1 1 20 20 VAL N N 15 118.738 0.023 . . . . . . A 29 VAL N . 36175 1 182 . 1 1 21 21 ASP H H 1 8.355 0.007 . . . . . . A 30 ASP H . 36175 1 183 . 1 1 21 21 ASP HA H 1 4.580 0.007 . . . . . . A 30 ASP HA . 36175 1 184 . 1 1 21 21 ASP HB2 H 1 1.872 0.004 . . . . . . A 30 ASP HB2 . 36175 1 185 . 1 1 21 21 ASP HB3 H 1 1.539 0.009 . . . . . . A 30 ASP HB3 . 36175 1 186 . 1 1 21 21 ASP CA C 13 52.261 0.000 . . . . . . A 30 ASP CA . 36175 1 187 . 1 1 21 21 ASP CB C 13 39.965 0.063 . . . . . . A 30 ASP CB . 36175 1 188 . 1 1 21 21 ASP N N 15 121.865 0.045 . . . . . . A 30 ASP N . 36175 1 189 . 1 1 22 22 SER H H 1 8.701 0.005 . . . . . . A 31 SER H . 36175 1 190 . 1 1 22 22 SER HA H 1 4.015 0.012 . . . . . . A 31 SER HA . 36175 1 191 . 1 1 22 22 SER HB2 H 1 3.943 0.000 . . . . . . A 31 SER HB2 . 36175 1 192 . 1 1 22 22 SER HB3 H 1 3.759 0.015 . . . . . . A 31 SER HB3 . 36175 1 193 . 1 1 22 22 SER CA C 13 59.812 0.060 . . . . . . A 31 SER CA . 36175 1 194 . 1 1 22 22 SER CB C 13 62.217 0.030 . . . . . . A 31 SER CB . 36175 1 195 . 1 1 22 22 SER N N 15 120.693 0.019 . . . . . . A 31 SER N . 36175 1 196 . 1 1 23 23 ASN H H 1 9.038 0.006 . . . . . . A 32 ASN H . 36175 1 197 . 1 1 23 23 ASN HA H 1 4.841 0.008 . . . . . . A 32 ASN HA . 36175 1 198 . 1 1 23 23 ASN HB2 H 1 2.798 0.007 . . . . . . A 32 ASN HB2 . 36175 1 199 . 1 1 23 23 ASN HB3 H 1 2.754 0.007 . . . . . . A 32 ASN HB3 . 36175 1 200 . 1 1 23 23 ASN HD21 H 1 7.929 0.000 . . . . . . A 32 ASN HD21 . 36175 1 201 . 1 1 23 23 ASN HD22 H 1 6.858 0.009 . . . . . . A 32 ASN HD22 . 36175 1 202 . 1 1 23 23 ASN CA C 13 52.716 0.118 . . . . . . A 32 ASN CA . 36175 1 203 . 1 1 23 23 ASN CB C 13 38.226 0.036 . . . . . . A 32 ASN CB . 36175 1 204 . 1 1 23 23 ASN N N 15 118.219 0.031 . . . . . . A 32 ASN N . 36175 1 205 . 1 1 23 23 ASN ND2 N 15 114.422 0.031 . . . . . . A 32 ASN ND2 . 36175 1 206 . 1 1 24 24 HIS H H 1 7.881 0.006 . . . . . . A 33 HIS H . 36175 1 207 . 1 1 24 24 HIS HA H 1 4.919 0.011 . . . . . . A 33 HIS HA . 36175 1 208 . 1 1 24 24 HIS HB2 H 1 3.394 0.005 . . . . . . A 33 HIS HB2 . 36175 1 209 . 1 1 24 24 HIS HB3 H 1 3.211 0.006 . . . . . . A 33 HIS HB3 . 36175 1 210 . 1 1 24 24 HIS HD2 H 1 6.826 0.000 . . . . . . A 33 HIS HD2 . 36175 1 211 . 1 1 24 24 HIS CA C 13 53.357 0.082 . . . . . . A 33 HIS CA . 36175 1 212 . 1 1 24 24 HIS CB C 13 30.976 0.016 . . . . . . A 33 HIS CB . 36175 1 213 . 1 1 24 24 HIS N N 15 118.560 0.048 . . . . . . A 33 HIS N . 36175 1 214 . 1 1 25 25 THR H H 1 8.758 0.004 . . . . . . A 34 THR H . 36175 1 215 . 1 1 25 25 THR HA H 1 4.413 0.000 . . . . . . A 34 THR HA . 36175 1 216 . 1 1 25 25 THR HG21 H 1 1.236 0.008 . . . . . . A 34 THR HG21 . 36175 1 217 . 1 1 25 25 THR HG22 H 1 1.236 0.008 . . . . . . A 34 THR HG22 . 36175 1 218 . 1 1 25 25 THR HG23 H 1 1.236 0.008 . . . . . . A 34 THR HG23 . 36175 1 219 . 1 1 25 25 THR CA C 13 59.599 0.099 . . . . . . A 34 THR CA . 36175 1 220 . 1 1 25 25 THR CB C 13 70.471 0.015 . . . . . . A 34 THR CB . 36175 1 221 . 1 1 25 25 THR N N 15 109.121 0.030 . . . . . . A 34 THR N . 36175 1 222 . 1 1 26 26 LEU H H 1 8.417 0.005 . . . . . . A 35 LEU H . 36175 1 223 . 1 1 26 26 LEU HA H 1 3.831 0.009 . . . . . . A 35 LEU HA . 36175 1 224 . 1 1 26 26 LEU HB2 H 1 1.722 0.004 . . . . . . A 35 LEU HB2 . 36175 1 225 . 1 1 26 26 LEU HB3 H 1 1.186 0.017 . . . . . . A 35 LEU HB3 . 36175 1 226 . 1 1 26 26 LEU HG H 1 1.435 0.001 . . . . . . A 35 LEU HG . 36175 1 227 . 1 1 26 26 LEU HD11 H 1 0.685 0.003 . . . . . . A 35 LEU HD11 . 36175 1 228 . 1 1 26 26 LEU HD12 H 1 0.685 0.003 . . . . . . A 35 LEU HD12 . 36175 1 229 . 1 1 26 26 LEU HD13 H 1 0.685 0.003 . . . . . . A 35 LEU HD13 . 36175 1 230 . 1 1 26 26 LEU HD21 H 1 0.427 0.005 . . . . . . A 35 LEU HD21 . 36175 1 231 . 1 1 26 26 LEU HD22 H 1 0.427 0.005 . . . . . . A 35 LEU HD22 . 36175 1 232 . 1 1 26 26 LEU HD23 H 1 0.427 0.005 . . . . . . A 35 LEU HD23 . 36175 1 233 . 1 1 26 26 LEU CA C 13 57.422 0.036 . . . . . . A 35 LEU CA . 36175 1 234 . 1 1 26 26 LEU CB C 13 40.924 0.040 . . . . . . A 35 LEU CB . 36175 1 235 . 1 1 26 26 LEU CG C 13 25.263 0.000 . . . . . . A 35 LEU CG . 36175 1 236 . 1 1 26 26 LEU CD1 C 13 21.861 0.000 . . . . . . A 35 LEU CD1 . 36175 1 237 . 1 1 26 26 LEU CD2 C 13 22.518 0.000 . . . . . . A 35 LEU CD2 . 36175 1 238 . 1 1 26 26 LEU N N 15 121.858 0.083 . . . . . . A 35 LEU N . 36175 1 239 . 1 1 27 27 ARG H H 1 8.780 0.005 . . . . . . A 36 ARG H . 36175 1 240 . 1 1 27 27 ARG HA H 1 3.867 0.008 . . . . . . A 36 ARG HA . 36175 1 241 . 1 1 27 27 ARG HB2 H 1 1.718 0.001 . . . . . . A 36 ARG HB2 . 36175 1 242 . 1 1 27 27 ARG HB3 H 1 1.524 0.007 . . . . . . A 36 ARG HB3 . 36175 1 243 . 1 1 27 27 ARG HG2 H 1 1.360 0.002 . . . . . . A 36 ARG HG2 . 36175 1 244 . 1 1 27 27 ARG HG3 H 1 1.357 0.000 . . . . . . A 36 ARG HG3 . 36175 1 245 . 1 1 27 27 ARG HD2 H 1 3.077 0.007 . . . . . . A 36 ARG HD2 . 36175 1 246 . 1 1 27 27 ARG HD3 H 1 3.077 0.007 . . . . . . A 36 ARG HD3 . 36175 1 247 . 1 1 27 27 ARG CA C 13 58.598 0.049 . . . . . . A 36 ARG CA . 36175 1 248 . 1 1 27 27 ARG CB C 13 29.199 0.050 . . . . . . A 36 ARG CB . 36175 1 249 . 1 1 27 27 ARG CG C 13 25.390 0.000 . . . . . . A 36 ARG CG . 36175 1 250 . 1 1 27 27 ARG CD C 13 42.499 0.000 . . . . . . A 36 ARG CD . 36175 1 251 . 1 1 27 27 ARG N N 15 117.150 0.024 . . . . . . A 36 ARG N . 36175 1 252 . 1 1 28 28 ASP H H 1 7.783 0.006 . . . . . . A 37 ASP H . 36175 1 253 . 1 1 28 28 ASP HA H 1 4.347 0.013 . . . . . . A 37 ASP HA . 36175 1 254 . 1 1 28 28 ASP HB2 H 1 2.805 0.007 . . . . . . A 37 ASP HB2 . 36175 1 255 . 1 1 28 28 ASP HB3 H 1 2.526 0.005 . . . . . . A 37 ASP HB3 . 36175 1 256 . 1 1 28 28 ASP CA C 13 56.654 0.086 . . . . . . A 37 ASP CA . 36175 1 257 . 1 1 28 28 ASP CB C 13 38.965 0.135 . . . . . . A 37 ASP CB . 36175 1 258 . 1 1 28 28 ASP N N 15 119.498 0.053 . . . . . . A 37 ASP N . 36175 1 259 . 1 1 29 29 VAL H H 1 8.694 0.006 . . . . . . A 38 VAL H . 36175 1 260 . 1 1 29 29 VAL HA H 1 3.898 0.010 . . . . . . A 38 VAL HA . 36175 1 261 . 1 1 29 29 VAL HB H 1 2.228 0.006 . . . . . . A 38 VAL HB . 36175 1 262 . 1 1 29 29 VAL HG11 H 1 1.160 0.004 . . . . . . A 38 VAL HG11 . 36175 1 263 . 1 1 29 29 VAL HG12 H 1 1.160 0.004 . . . . . . A 38 VAL HG12 . 36175 1 264 . 1 1 29 29 VAL HG13 H 1 1.160 0.004 . . . . . . A 38 VAL HG13 . 36175 1 265 . 1 1 29 29 VAL HG21 H 1 1.004 0.009 . . . . . . A 38 VAL HG21 . 36175 1 266 . 1 1 29 29 VAL HG22 H 1 1.004 0.009 . . . . . . A 38 VAL HG22 . 36175 1 267 . 1 1 29 29 VAL HG23 H 1 1.004 0.009 . . . . . . A 38 VAL HG23 . 36175 1 268 . 1 1 29 29 VAL CA C 13 65.959 0.065 . . . . . . A 38 VAL CA . 36175 1 269 . 1 1 29 29 VAL CB C 13 30.634 0.023 . . . . . . A 38 VAL CB . 36175 1 270 . 1 1 29 29 VAL CG1 C 13 23.051 0.000 . . . . . . A 38 VAL CG1 . 36175 1 271 . 1 1 29 29 VAL CG2 C 13 20.555 0.000 . . . . . . A 38 VAL CG2 . 36175 1 272 . 1 1 29 29 VAL N N 15 124.037 0.031 . . . . . . A 38 VAL N . 36175 1 273 . 1 1 30 30 LEU H H 1 8.755 0.008 . . . . . . A 39 LEU H . 36175 1 274 . 1 1 30 30 LEU HA H 1 4.090 0.006 . . . . . . A 39 LEU HA . 36175 1 275 . 1 1 30 30 LEU HB2 H 1 1.964 0.009 . . . . . . A 39 LEU HB2 . 36175 1 276 . 1 1 30 30 LEU HB3 H 1 1.390 0.004 . . . . . . A 39 LEU HB3 . 36175 1 277 . 1 1 30 30 LEU HG H 1 1.680 0.000 . . . . . . A 39 LEU HG . 36175 1 278 . 1 1 30 30 LEU HD11 H 1 0.749 0.000 . . . . . . A 39 LEU HD11 . 36175 1 279 . 1 1 30 30 LEU HD12 H 1 0.749 0.000 . . . . . . A 39 LEU HD12 . 36175 1 280 . 1 1 30 30 LEU HD13 H 1 0.749 0.000 . . . . . . A 39 LEU HD13 . 36175 1 281 . 1 1 30 30 LEU HD21 H 1 0.542 0.010 . . . . . . A 39 LEU HD21 . 36175 1 282 . 1 1 30 30 LEU HD22 H 1 0.542 0.010 . . . . . . A 39 LEU HD22 . 36175 1 283 . 1 1 30 30 LEU HD23 H 1 0.542 0.010 . . . . . . A 39 LEU HD23 . 36175 1 284 . 1 1 30 30 LEU CA C 13 57.798 0.055 . . . . . . A 39 LEU CA . 36175 1 285 . 1 1 30 30 LEU CB C 13 40.086 0.057 . . . . . . A 39 LEU CB . 36175 1 286 . 1 1 30 30 LEU CG C 13 24.340 0.000 . . . . . . A 39 LEU CG . 36175 1 287 . 1 1 30 30 LEU N N 15 120.651 0.050 . . . . . . A 39 LEU N . 36175 1 288 . 1 1 31 31 ARG H H 1 7.853 0.008 . . . . . . A 40 ARG H . 36175 1 289 . 1 1 31 31 ARG HA H 1 3.884 0.003 . . . . . . A 40 ARG HA . 36175 1 290 . 1 1 31 31 ARG HB2 H 1 1.908 0.000 . . . . . . A 40 ARG HB2 . 36175 1 291 . 1 1 31 31 ARG HB3 H 1 1.908 0.000 . . . . . . A 40 ARG HB3 . 36175 1 292 . 1 1 31 31 ARG HG2 H 1 1.627 0.010 . . . . . . A 40 ARG HG2 . 36175 1 293 . 1 1 31 31 ARG HG3 H 1 1.627 0.010 . . . . . . A 40 ARG HG3 . 36175 1 294 . 1 1 31 31 ARG HD2 H 1 3.129 0.002 . . . . . . A 40 ARG HD2 . 36175 1 295 . 1 1 31 31 ARG HD3 H 1 3.129 0.002 . . . . . . A 40 ARG HD3 . 36175 1 296 . 1 1 31 31 ARG CA C 13 58.934 0.070 . . . . . . A 40 ARG CA . 36175 1 297 . 1 1 31 31 ARG CB C 13 28.753 0.015 . . . . . . A 40 ARG CB . 36175 1 298 . 1 1 31 31 ARG CG C 13 33.006 7.786 . . . . . . A 40 ARG CG . 36175 1 299 . 1 1 31 31 ARG N N 15 117.474 0.056 . . . . . . A 40 ARG N . 36175 1 300 . 1 1 32 32 GLN H H 1 8.188 0.008 . . . . . . A 41 GLN H . 36175 1 301 . 1 1 32 32 GLN HA H 1 3.869 0.008 . . . . . . A 41 GLN HA . 36175 1 302 . 1 1 32 32 GLN HB2 H 1 2.430 0.000 . . . . . . A 41 GLN HB2 . 36175 1 303 . 1 1 32 32 GLN HB3 H 1 2.053 0.009 . . . . . . A 41 GLN HB3 . 36175 1 304 . 1 1 32 32 GLN HG2 H 1 1.975 0.003 . . . . . . A 41 GLN HG2 . 36175 1 305 . 1 1 32 32 GLN HG3 H 1 1.975 0.003 . . . . . . A 41 GLN HG3 . 36175 1 306 . 1 1 32 32 GLN HE21 H 1 6.522 0.001 . . . . . . A 41 GLN HE21 . 36175 1 307 . 1 1 32 32 GLN HE22 H 1 7.474 0.001 . . . . . . A 41 GLN HE22 . 36175 1 308 . 1 1 32 32 GLN CA C 13 58.781 0.043 . . . . . . A 41 GLN CA . 36175 1 309 . 1 1 32 32 GLN CB C 13 26.100 0.093 . . . . . . A 41 GLN CB . 36175 1 310 . 1 1 32 32 GLN CG C 13 31.448 0.000 . . . . . . A 41 GLN CG . 36175 1 311 . 1 1 32 32 GLN N N 15 123.432 0.042 . . . . . . A 41 GLN N . 36175 1 312 . 1 1 32 32 GLN NE2 N 15 109.125 0.042 . . . . . . A 41 GLN NE2 . 36175 1 313 . 1 1 33 33 PHE H H 1 8.490 0.007 . . . . . . A 42 PHE H . 36175 1 314 . 1 1 33 33 PHE HA H 1 3.878 0.005 . . . . . . A 42 PHE HA . 36175 1 315 . 1 1 33 33 PHE HB2 H 1 3.233 0.006 . . . . . . A 42 PHE HB2 . 36175 1 316 . 1 1 33 33 PHE HB3 H 1 2.742 0.005 . . . . . . A 42 PHE HB3 . 36175 1 317 . 1 1 33 33 PHE HD1 H 1 7.153 0.005 . . . . . . A 42 PHE HD1 . 36175 1 318 . 1 1 33 33 PHE HD2 H 1 7.153 0.005 . . . . . . A 42 PHE HD2 . 36175 1 319 . 1 1 33 33 PHE HE1 H 1 7.010 0.000 . . . . . . A 42 PHE HE1 . 36175 1 320 . 1 1 33 33 PHE HE2 H 1 7.010 0.000 . . . . . . A 42 PHE HE2 . 36175 1 321 . 1 1 33 33 PHE CA C 13 59.329 6.621 . . . . . . A 42 PHE CA . 36175 1 322 . 1 1 33 33 PHE CB C 13 37.402 0.053 . . . . . . A 42 PHE CB . 36175 1 323 . 1 1 33 33 PHE N N 15 118.952 0.044 . . . . . . A 42 PHE N . 36175 1 324 . 1 1 34 34 LYS H H 1 7.795 0.006 . . . . . . A 43 LYS H . 36175 1 325 . 1 1 34 34 LYS HA H 1 3.833 0.003 . . . . . . A 43 LYS HA . 36175 1 326 . 1 1 34 34 LYS HB2 H 1 1.856 0.007 . . . . . . A 43 LYS HB2 . 36175 1 327 . 1 1 34 34 LYS HB3 H 1 1.856 0.007 . . . . . . A 43 LYS HB3 . 36175 1 328 . 1 1 34 34 LYS HG2 H 1 1.446 0.010 . . . . . . A 43 LYS HG2 . 36175 1 329 . 1 1 34 34 LYS HG3 H 1 1.446 0.010 . . . . . . A 43 LYS HG3 . 36175 1 330 . 1 1 34 34 LYS HD2 H 1 1.582 0.013 . . . . . . A 43 LYS HD2 . 36175 1 331 . 1 1 34 34 LYS HD3 H 1 1.582 0.013 . . . . . . A 43 LYS HD3 . 36175 1 332 . 1 1 34 34 LYS HE2 H 1 3.117 0.012 . . . . . . A 43 LYS HE2 . 36175 1 333 . 1 1 34 34 LYS HE3 H 1 3.117 0.012 . . . . . . A 43 LYS HE3 . 36175 1 334 . 1 1 34 34 LYS CA C 13 57.675 0.077 . . . . . . A 43 LYS CA . 36175 1 335 . 1 1 34 34 LYS CB C 13 30.669 0.084 . . . . . . A 43 LYS CB . 36175 1 336 . 1 1 34 34 LYS CG C 13 23.915 0.000 . . . . . . A 43 LYS CG . 36175 1 337 . 1 1 34 34 LYS CD C 13 27.309 0.000 . . . . . . A 43 LYS CD . 36175 1 338 . 1 1 34 34 LYS CE C 13 40.902 0.023 . . . . . . A 43 LYS CE . 36175 1 339 . 1 1 34 34 LYS N N 15 115.388 0.032 . . . . . . A 43 LYS N . 36175 1 340 . 1 1 35 35 ARG H H 1 7.794 0.006 . . . . . . A 44 ARG H . 36175 1 341 . 1 1 35 35 ARG HA H 1 4.106 0.005 . . . . . . A 44 ARG HA . 36175 1 342 . 1 1 35 35 ARG HB2 H 1 1.914 0.000 . . . . . . A 44 ARG HB2 . 36175 1 343 . 1 1 35 35 ARG HG2 H 1 1.745 0.000 . . . . . . A 44 ARG HG2 . 36175 1 344 . 1 1 35 35 ARG HD2 H 1 3.212 0.009 . . . . . . A 44 ARG HD2 . 36175 1 345 . 1 1 35 35 ARG CA C 13 57.696 0.000 . . . . . . A 44 ARG CA . 36175 1 346 . 1 1 35 35 ARG CB C 13 30.419 0.087 . . . . . . A 44 ARG CB . 36175 1 347 . 1 1 35 35 ARG CG C 13 26.630 0.000 . . . . . . A 44 ARG CG . 36175 1 348 . 1 1 35 35 ARG CD C 13 42.767 0.000 . . . . . . A 44 ARG CD . 36175 1 349 . 1 1 35 35 ARG N N 15 116.681 0.042 . . . . . . A 44 ARG N . 36175 1 350 . 1 1 36 36 GLU H H 1 8.010 0.007 . . . . . . A 45 GLU H . 36175 1 351 . 1 1 36 36 GLU HA H 1 4.261 0.005 . . . . . . A 45 GLU HA . 36175 1 352 . 1 1 36 36 GLU HB2 H 1 2.125 0.004 . . . . . . A 45 GLU HB2 . 36175 1 353 . 1 1 36 36 GLU HB3 H 1 1.779 0.000 . . . . . . A 45 GLU HB3 . 36175 1 354 . 1 1 36 36 GLU HG2 H 1 2.413 0.003 . . . . . . A 45 GLU HG2 . 36175 1 355 . 1 1 36 36 GLU HG3 H 1 2.188 0.000 . . . . . . A 45 GLU HG3 . 36175 1 356 . 1 1 36 36 GLU CA C 13 57.105 0.130 . . . . . . A 45 GLU CA . 36175 1 357 . 1 1 36 36 GLU CB C 13 30.327 0.049 . . . . . . A 45 GLU CB . 36175 1 358 . 1 1 36 36 GLU CG C 13 35.945 0.000 . . . . . . A 45 GLU CG . 36175 1 359 . 1 1 36 36 GLU N N 15 115.197 0.028 . . . . . . A 45 GLU N . 36175 1 360 . 1 1 37 37 VAL H H 1 7.938 0.006 . . . . . . A 46 VAL H . 36175 1 361 . 1 1 37 37 VAL HA H 1 4.083 0.007 . . . . . . A 46 VAL HA . 36175 1 362 . 1 1 37 37 VAL HB H 1 2.128 0.006 . . . . . . A 46 VAL HB . 36175 1 363 . 1 1 37 37 VAL HG11 H 1 0.846 0.004 . . . . . . A 46 VAL HG11 . 36175 1 364 . 1 1 37 37 VAL HG12 H 1 0.846 0.004 . . . . . . A 46 VAL HG12 . 36175 1 365 . 1 1 37 37 VAL HG13 H 1 0.846 0.004 . . . . . . A 46 VAL HG13 . 36175 1 366 . 1 1 37 37 VAL HG21 H 1 0.213 0.005 . . . . . . A 46 VAL HG21 . 36175 1 367 . 1 1 37 37 VAL HG22 H 1 0.213 0.005 . . . . . . A 46 VAL HG22 . 36175 1 368 . 1 1 37 37 VAL HG23 H 1 0.213 0.005 . . . . . . A 46 VAL HG23 . 36175 1 369 . 1 1 37 37 VAL CA C 13 60.629 0.052 . . . . . . A 46 VAL CA . 36175 1 370 . 1 1 37 37 VAL CB C 13 30.017 0.089 . . . . . . A 46 VAL CB . 36175 1 371 . 1 1 37 37 VAL CG1 C 13 19.700 0.000 . . . . . . A 46 VAL CG1 . 36175 1 372 . 1 1 37 37 VAL CG2 C 13 21.190 0.042 . . . . . . A 46 VAL CG2 . 36175 1 373 . 1 1 37 37 VAL N N 15 120.997 0.029 . . . . . . A 46 VAL N . 36175 1 374 . 1 1 38 38 ALA H H 1 8.548 0.006 . . . . . . A 47 ALA H . 36175 1 375 . 1 1 38 38 ALA HA H 1 4.034 0.002 . . . . . . A 47 ALA HA . 36175 1 376 . 1 1 38 38 ALA HB1 H 1 1.363 0.005 . . . . . . A 47 ALA HB1 . 36175 1 377 . 1 1 38 38 ALA HB2 H 1 1.362 0.000 . . . . . . A 47 ALA HB2 . 36175 1 378 . 1 1 38 38 ALA HB3 H 1 1.363 0.005 . . . . . . A 47 ALA HB3 . 36175 1 379 . 1 1 38 38 ALA CA C 13 54.418 0.110 . . . . . . A 47 ALA CA . 36175 1 380 . 1 1 38 38 ALA CB C 13 17.068 0.104 . . . . . . A 47 ALA CB . 36175 1 381 . 1 1 38 38 ALA N N 15 106.389 0.076 . . . . . . A 47 ALA N . 36175 1 382 . 1 1 39 39 ALA H H 1 8.162 0.006 . . . . . . A 48 ALA H . 36175 1 383 . 1 1 39 39 ALA HA H 1 4.014 0.008 . . . . . . A 48 ALA HA . 36175 1 384 . 1 1 39 39 ALA HB1 H 1 1.108 0.010 . . . . . . A 48 ALA HB1 . 36175 1 385 . 1 1 39 39 ALA HB2 H 1 1.108 0.010 . . . . . . A 48 ALA HB2 . 36175 1 386 . 1 1 39 39 ALA HB3 H 1 1.108 0.010 . . . . . . A 48 ALA HB3 . 36175 1 387 . 1 1 39 39 ALA CA C 13 52.672 0.031 . . . . . . A 48 ALA CA . 36175 1 388 . 1 1 39 39 ALA CB C 13 18.664 0.056 . . . . . . A 48 ALA CB . 36175 1 389 . 1 1 39 39 ALA N N 15 118.508 0.031 . . . . . . A 48 ALA N . 36175 1 390 . 1 1 40 40 LEU H H 1 7.461 0.007 . . . . . . A 49 LEU H . 36175 1 391 . 1 1 40 40 LEU HA H 1 4.179 0.003 . . . . . . A 49 LEU HA . 36175 1 392 . 1 1 40 40 LEU HB2 H 1 1.854 0.011 . . . . . . A 49 LEU HB2 . 36175 1 393 . 1 1 40 40 LEU HB3 H 1 1.428 0.008 . . . . . . A 49 LEU HB3 . 36175 1 394 . 1 1 40 40 LEU HG H 1 1.034 0.012 . . . . . . A 49 LEU HG . 36175 1 395 . 1 1 40 40 LEU HD11 H 1 0.668 0.005 . . . . . . A 49 LEU HD11 . 36175 1 396 . 1 1 40 40 LEU HD12 H 1 0.668 0.005 . . . . . . A 49 LEU HD12 . 36175 1 397 . 1 1 40 40 LEU HD13 H 1 0.668 0.005 . . . . . . A 49 LEU HD13 . 36175 1 398 . 1 1 40 40 LEU HD21 H 1 0.567 0.006 . . . . . . A 49 LEU HD21 . 36175 1 399 . 1 1 40 40 LEU HD22 H 1 0.567 0.006 . . . . . . A 49 LEU HD22 . 36175 1 400 . 1 1 40 40 LEU HD23 H 1 0.567 0.006 . . . . . . A 49 LEU HD23 . 36175 1 401 . 1 1 40 40 LEU CA C 13 53.078 0.023 . . . . . . A 49 LEU CA . 36175 1 402 . 1 1 40 40 LEU CB C 13 40.856 0.000 . . . . . . A 49 LEU CB . 36175 1 403 . 1 1 40 40 LEU N N 15 112.665 0.035 . . . . . . A 49 LEU N . 36175 1 404 . 1 1 41 41 ASP H H 1 7.805 0.006 . . . . . . A 50 ASP H . 36175 1 405 . 1 1 41 41 ASP HA H 1 4.398 0.003 . . . . . . A 50 ASP HA . 36175 1 406 . 1 1 41 41 ASP HB2 H 1 2.905 0.006 . . . . . . A 50 ASP HB2 . 36175 1 407 . 1 1 41 41 ASP HB3 H 1 2.587 0.007 . . . . . . A 50 ASP HB3 . 36175 1 408 . 1 1 41 41 ASP N N 15 123.559 0.031 . . . . . . A 50 ASP N . 36175 1 409 . 1 1 42 42 PRO HA H 1 4.444 0.004 . . . . . . A 51 PRO HA . 36175 1 410 . 1 1 42 42 PRO HB2 H 1 2.267 0.007 . . . . . . A 51 PRO HB2 . 36175 1 411 . 1 1 42 42 PRO HB3 H 1 1.770 0.005 . . . . . . A 51 PRO HB3 . 36175 1 412 . 1 1 42 42 PRO HG2 H 1 1.874 0.004 . . . . . . A 51 PRO HG2 . 36175 1 413 . 1 1 42 42 PRO HG3 H 1 1.808 0.000 . . . . . . A 51 PRO HG3 . 36175 1 414 . 1 1 42 42 PRO HD2 H 1 3.501 0.007 . . . . . . A 51 PRO HD2 . 36175 1 415 . 1 1 42 42 PRO HD3 H 1 3.465 0.000 . . . . . . A 51 PRO HD3 . 36175 1 416 . 1 1 42 42 PRO CA C 13 63.788 0.082 . . . . . . A 51 PRO CA . 36175 1 417 . 1 1 42 42 PRO CB C 13 31.065 0.008 . . . . . . A 51 PRO CB . 36175 1 418 . 1 1 42 42 PRO CG C 13 26.357 0.000 . . . . . . A 51 PRO CG . 36175 1 419 . 1 1 42 42 PRO CD C 13 49.900 0.000 . . . . . . A 51 PRO CD . 36175 1 420 . 1 1 43 43 ILE H H 1 7.485 0.007 . . . . . . A 52 ILE H . 36175 1 421 . 1 1 43 43 ILE HA H 1 3.935 0.005 . . . . . . A 52 ILE HA . 36175 1 422 . 1 1 43 43 ILE HB H 1 2.004 0.005 . . . . . . A 52 ILE HB . 36175 1 423 . 1 1 43 43 ILE HG12 H 1 1.233 0.008 . . . . . . A 52 ILE HG12 . 36175 1 424 . 1 1 43 43 ILE HG13 H 1 1.233 0.008 . . . . . . A 52 ILE HG13 . 36175 1 425 . 1 1 43 43 ILE HG21 H 1 0.526 0.004 . . . . . . A 52 ILE HG21 . 36175 1 426 . 1 1 43 43 ILE HG22 H 1 0.526 0.004 . . . . . . A 52 ILE HG22 . 36175 1 427 . 1 1 43 43 ILE HG23 H 1 0.526 0.004 . . . . . . A 52 ILE HG23 . 36175 1 428 . 1 1 43 43 ILE HD11 H 1 0.495 0.008 . . . . . . A 52 ILE HD11 . 36175 1 429 . 1 1 43 43 ILE HD12 H 1 0.495 0.008 . . . . . . A 52 ILE HD12 . 36175 1 430 . 1 1 43 43 ILE HD13 H 1 0.495 0.008 . . . . . . A 52 ILE HD13 . 36175 1 431 . 1 1 43 43 ILE CA C 13 59.182 0.055 . . . . . . A 52 ILE CA . 36175 1 432 . 1 1 43 43 ILE CB C 13 36.377 0.064 . . . . . . A 52 ILE CB . 36175 1 433 . 1 1 43 43 ILE CG1 C 13 26.124 0.000 . . . . . . A 52 ILE CG1 . 36175 1 434 . 1 1 43 43 ILE CG2 C 13 13.122 0.000 . . . . . . A 52 ILE CG2 . 36175 1 435 . 1 1 43 43 ILE CD1 C 13 16.236 0.066 . . . . . . A 52 ILE CD1 . 36175 1 436 . 1 1 43 43 ILE N N 15 118.390 0.022 . . . . . . A 52 ILE N . 36175 1 437 . 1 1 44 44 ASN H H 1 8.673 0.007 . . . . . . A 53 ASN H . 36175 1 438 . 1 1 44 44 ASN HA H 1 4.948 0.005 . . . . . . A 53 ASN HA . 36175 1 439 . 1 1 44 44 ASN HB2 H 1 3.087 0.009 . . . . . . A 53 ASN HB2 . 36175 1 440 . 1 1 44 44 ASN HB3 H 1 2.816 0.005 . . . . . . A 53 ASN HB3 . 36175 1 441 . 1 1 44 44 ASN HD21 H 1 7.088 0.000 . . . . . . A 53 ASN HD21 . 36175 1 442 . 1 1 44 44 ASN HD22 H 1 7.659 0.000 . . . . . . A 53 ASN HD22 . 36175 1 443 . 1 1 44 44 ASN CA C 13 50.440 0.078 . . . . . . A 53 ASN CA . 36175 1 444 . 1 1 44 44 ASN CB C 13 36.844 0.044 . . . . . . A 53 ASN CB . 36175 1 445 . 1 1 44 44 ASN N N 15 125.921 0.062 . . . . . . A 53 ASN N . 36175 1 446 . 1 1 44 44 ASN ND2 N 15 111.968 0.020 . . . . . . A 53 ASN ND2 . 36175 1 447 . 1 1 45 45 LEU H H 1 8.963 0.005 . . . . . . A 54 LEU H . 36175 1 448 . 1 1 45 45 LEU HA H 1 3.933 0.005 . . . . . . A 54 LEU HA . 36175 1 449 . 1 1 45 45 LEU HB2 H 1 1.834 0.000 . . . . . . A 54 LEU HB2 . 36175 1 450 . 1 1 45 45 LEU HB3 H 1 1.505 0.000 . . . . . . A 54 LEU HB3 . 36175 1 451 . 1 1 45 45 LEU HG H 1 1.525 0.002 . . . . . . A 54 LEU HG . 36175 1 452 . 1 1 45 45 LEU HD11 H 1 0.876 0.004 . . . . . . A 54 LEU HD11 . 36175 1 453 . 1 1 45 45 LEU HD12 H 1 0.876 0.004 . . . . . . A 54 LEU HD12 . 36175 1 454 . 1 1 45 45 LEU HD13 H 1 0.876 0.004 . . . . . . A 54 LEU HD13 . 36175 1 455 . 1 1 45 45 LEU CA C 13 57.410 0.048 . . . . . . A 54 LEU CA . 36175 1 456 . 1 1 45 45 LEU CB C 13 40.682 0.045 . . . . . . A 54 LEU CB . 36175 1 457 . 1 1 45 45 LEU CG C 13 25.166 0.000 . . . . . . A 54 LEU CG . 36175 1 458 . 1 1 45 45 LEU CD1 C 13 21.558 0.000 . . . . . . A 54 LEU CD1 . 36175 1 459 . 1 1 45 45 LEU N N 15 124.981 0.018 . . . . . . A 54 LEU N . 36175 1 460 . 1 1 46 46 GLU H H 1 8.408 0.006 . . . . . . A 55 GLU H . 36175 1 461 . 1 1 46 46 GLU HA H 1 4.237 0.005 . . . . . . A 55 GLU HA . 36175 1 462 . 1 1 46 46 GLU HB2 H 1 2.036 0.000 . . . . . . A 55 GLU HB2 . 36175 1 463 . 1 1 46 46 GLU HB3 H 1 2.000 0.002 . . . . . . A 55 GLU HB3 . 36175 1 464 . 1 1 46 46 GLU HG3 H 1 2.340 0.004 . . . . . . A 55 GLU HG3 . 36175 1 465 . 1 1 46 46 GLU CA C 13 57.496 0.094 . . . . . . A 55 GLU CA . 36175 1 466 . 1 1 46 46 GLU CB C 13 28.224 0.033 . . . . . . A 55 GLU CB . 36175 1 467 . 1 1 46 46 GLU CG C 13 35.524 0.000 . . . . . . A 55 GLU CG . 36175 1 468 . 1 1 46 46 GLU N N 15 115.807 0.020 . . . . . . A 55 GLU N . 36175 1 469 . 1 1 47 47 GLU H H 1 7.974 0.006 . . . . . . A 56 GLU H . 36175 1 470 . 1 1 47 47 GLU HA H 1 4.248 0.003 . . . . . . A 56 GLU HA . 36175 1 471 . 1 1 47 47 GLU HB2 H 1 2.015 0.000 . . . . . . A 56 GLU HB2 . 36175 1 472 . 1 1 47 47 GLU HB3 H 1 1.957 0.000 . . . . . . A 56 GLU HB3 . 36175 1 473 . 1 1 47 47 GLU HG2 H 1 2.183 0.004 . . . . . . A 56 GLU HG2 . 36175 1 474 . 1 1 47 47 GLU CA C 13 55.516 0.045 . . . . . . A 56 GLU CA . 36175 1 475 . 1 1 47 47 GLU CB C 13 29.143 0.018 . . . . . . A 56 GLU CB . 36175 1 476 . 1 1 47 47 GLU CG C 13 35.970 0.000 . . . . . . A 56 GLU CG . 36175 1 477 . 1 1 47 47 GLU N N 15 116.190 0.028 . . . . . . A 56 GLU N . 36175 1 478 . 1 1 48 48 TYR H H 1 7.738 0.007 . . . . . . A 57 TYR H . 36175 1 479 . 1 1 48 48 TYR HA H 1 5.144 0.006 . . . . . . A 57 TYR HA . 36175 1 480 . 1 1 48 48 TYR HB2 H 1 2.821 0.008 . . . . . . A 57 TYR HB2 . 36175 1 481 . 1 1 48 48 TYR HB3 H 1 2.592 0.007 . . . . . . A 57 TYR HB3 . 36175 1 482 . 1 1 48 48 TYR HD1 H 1 6.948 0.006 . . . . . . A 57 TYR HD1 . 36175 1 483 . 1 1 48 48 TYR HE1 H 1 6.831 0.003 . . . . . . A 57 TYR HE1 . 36175 1 484 . 1 1 48 48 TYR CA C 13 57.278 0.034 . . . . . . A 57 TYR CA . 36175 1 485 . 1 1 48 48 TYR CB C 13 42.635 0.058 . . . . . . A 57 TYR CB . 36175 1 486 . 1 1 48 48 TYR N N 15 118.117 0.027 . . . . . . A 57 TYR N . 36175 1 487 . 1 1 49 49 VAL H H 1 9.302 0.006 . . . . . . A 58 VAL H . 36175 1 488 . 1 1 49 49 VAL HA H 1 4.580 0.005 . . . . . . A 58 VAL HA . 36175 1 489 . 1 1 49 49 VAL HB H 1 2.001 0.000 . . . . . . A 58 VAL HB . 36175 1 490 . 1 1 49 49 VAL HG11 H 1 0.837 0.000 . . . . . . A 58 VAL HG11 . 36175 1 491 . 1 1 49 49 VAL HG12 H 1 0.883 0.002 . . . . . . A 58 VAL HG12 . 36175 1 492 . 1 1 49 49 VAL HG13 H 1 0.837 0.000 . . . . . . A 58 VAL HG13 . 36175 1 493 . 1 1 49 49 VAL HG21 H 1 0.786 0.005 . . . . . . A 58 VAL HG21 . 36175 1 494 . 1 1 49 49 VAL HG22 H 1 0.786 0.005 . . . . . . A 58 VAL HG22 . 36175 1 495 . 1 1 49 49 VAL HG23 H 1 0.786 0.005 . . . . . . A 58 VAL HG23 . 36175 1 496 . 1 1 49 49 VAL CA C 13 58.605 0.054 . . . . . . A 58 VAL CA . 36175 1 497 . 1 1 49 49 VAL CB C 13 33.892 0.000 . . . . . . A 58 VAL CB . 36175 1 498 . 1 1 49 49 VAL CG1 C 13 19.539 0.171 . . . . . . A 58 VAL CG1 . 36175 1 499 . 1 1 49 49 VAL CG2 C 13 21.105 0.000 . . . . . . A 58 VAL CG2 . 36175 1 500 . 1 1 49 49 VAL N N 15 116.042 0.017 . . . . . . A 58 VAL N . 36175 1 501 . 1 1 50 50 VAL H H 1 8.509 0.001 . . . . . . A 59 VAL H . 36175 1 502 . 1 1 50 50 VAL HA H 1 4.385 0.002 . . . . . . A 59 VAL HA . 36175 1 503 . 1 1 50 50 VAL HB H 1 1.998 0.001 . . . . . . A 59 VAL HB . 36175 1 504 . 1 1 50 50 VAL HG11 H 1 0.788 0.005 . . . . . . A 59 VAL HG11 . 36175 1 505 . 1 1 50 50 VAL HG12 H 1 0.788 0.005 . . . . . . A 59 VAL HG12 . 36175 1 506 . 1 1 50 50 VAL HG13 H 1 0.788 0.005 . . . . . . A 59 VAL HG13 . 36175 1 507 . 1 1 50 50 VAL CA C 13 61.480 0.058 . . . . . . A 59 VAL CA . 36175 1 508 . 1 1 50 50 VAL CB C 13 32.331 0.046 . . . . . . A 59 VAL CB . 36175 1 509 . 1 1 50 50 VAL CG2 C 13 19.368 0.000 . . . . . . A 59 VAL CG2 . 36175 1 510 . 1 1 50 50 VAL N N 15 121.732 0.083 . . . . . . A 59 VAL N . 36175 1 511 . 1 1 51 51 ASN H H 1 9.396 0.005 . . . . . . A 60 ASN H . 36175 1 512 . 1 1 51 51 ASN HA H 1 5.371 0.005 . . . . . . A 60 ASN HA . 36175 1 513 . 1 1 51 51 ASN HB2 H 1 2.844 0.008 . . . . . . A 60 ASN HB2 . 36175 1 514 . 1 1 51 51 ASN HB3 H 1 2.303 0.010 . . . . . . A 60 ASN HB3 . 36175 1 515 . 1 1 51 51 ASN HD21 H 1 6.675 0.005 . . . . . . A 60 ASN HD21 . 36175 1 516 . 1 1 51 51 ASN HD22 H 1 6.433 0.008 . . . . . . A 60 ASN HD22 . 36175 1 517 . 1 1 51 51 ASN CA C 13 50.832 0.031 . . . . . . A 60 ASN CA . 36175 1 518 . 1 1 51 51 ASN CB C 13 40.470 0.055 . . . . . . A 60 ASN CB . 36175 1 519 . 1 1 51 51 ASN N N 15 126.087 0.028 . . . . . . A 60 ASN N . 36175 1 520 . 1 1 51 51 ASN ND2 N 15 109.039 0.044 . . . . . . A 60 ASN ND2 . 36175 1 521 . 1 1 52 52 HIS H H 1 9.192 0.005 . . . . . . A 61 HIS H . 36175 1 522 . 1 1 52 52 HIS HA H 1 5.145 0.007 . . . . . . A 61 HIS HA . 36175 1 523 . 1 1 52 52 HIS HB2 H 1 3.022 0.008 . . . . . . A 61 HIS HB2 . 36175 1 524 . 1 1 52 52 HIS HB3 H 1 2.840 0.010 . . . . . . A 61 HIS HB3 . 36175 1 525 . 1 1 52 52 HIS CA C 13 54.814 0.070 . . . . . . A 61 HIS CA . 36175 1 526 . 1 1 52 52 HIS CB C 13 31.827 0.034 . . . . . . A 61 HIS CB . 36175 1 527 . 1 1 52 52 HIS N N 15 125.454 0.036 . . . . . . A 61 HIS N . 36175 1 528 . 1 1 53 53 GLU H H 1 9.603 0.006 . . . . . . A 62 GLU H . 36175 1 529 . 1 1 53 53 GLU HA H 1 3.636 0.001 . . . . . . A 62 GLU HA . 36175 1 530 . 1 1 53 53 GLU HB2 H 1 1.988 0.000 . . . . . . A 62 GLU HB2 . 36175 1 531 . 1 1 53 53 GLU HB3 H 1 1.545 0.000 . . . . . . A 62 GLU HB3 . 36175 1 532 . 1 1 53 53 GLU CA C 13 55.926 0.031 . . . . . . A 62 GLU CA . 36175 1 533 . 1 1 53 53 GLU CB C 13 26.204 0.001 . . . . . . A 62 GLU CB . 36175 1 534 . 1 1 53 53 GLU CG C 13 34.623 0.000 . . . . . . A 62 GLU CG . 36175 1 535 . 1 1 53 53 GLU N N 15 126.216 0.046 . . . . . . A 62 GLU N . 36175 1 536 . 1 1 54 54 GLY H H 1 8.087 0.006 . . . . . . A 63 GLY H . 36175 1 537 . 1 1 54 54 GLY HA2 H 1 4.185 0.007 . . . . . . A 63 GLY HA2 . 36175 1 538 . 1 1 54 54 GLY HA3 H 1 3.659 0.000 . . . . . . A 63 GLY HA3 . 36175 1 539 . 1 1 54 54 GLY CA C 13 44.827 0.062 . . . . . . A 63 GLY CA . 36175 1 540 . 1 1 54 54 GLY N N 15 104.356 0.020 . . . . . . A 63 GLY N . 36175 1 541 . 1 1 55 55 LYS H H 1 7.793 0.007 . . . . . . A 64 LYS H . 36175 1 542 . 1 1 55 55 LYS HA H 1 4.538 0.003 . . . . . . A 64 LYS HA . 36175 1 543 . 1 1 55 55 LYS HB2 H 1 1.878 0.000 . . . . . . A 64 LYS HB2 . 36175 1 544 . 1 1 55 55 LYS HB3 H 1 1.878 0.000 . . . . . . A 64 LYS HB3 . 36175 1 545 . 1 1 55 55 LYS CA C 13 53.752 0.000 . . . . . . A 64 LYS CA . 36175 1 546 . 1 1 55 55 LYS CB C 13 33.388 0.067 . . . . . . A 64 LYS CB . 36175 1 547 . 1 1 55 55 LYS N N 15 121.872 0.052 . . . . . . A 64 LYS N . 36175 1 548 . 1 1 56 56 LEU H H 1 8.438 0.007 . . . . . . A 65 LEU H . 36175 1 549 . 1 1 56 56 LEU HA H 1 4.847 0.011 . . . . . . A 65 LEU HA . 36175 1 550 . 1 1 56 56 LEU HB2 H 1 1.712 0.000 . . . . . . A 65 LEU HB2 . 36175 1 551 . 1 1 56 56 LEU HB3 H 1 1.196 0.004 . . . . . . A 65 LEU HB3 . 36175 1 552 . 1 1 56 56 LEU HG H 1 1.685 0.003 . . . . . . A 65 LEU HG . 36175 1 553 . 1 1 56 56 LEU HD11 H 1 0.810 0.000 . . . . . . A 65 LEU HD11 . 36175 1 554 . 1 1 56 56 LEU HD12 H 1 0.864 0.007 . . . . . . A 65 LEU HD12 . 36175 1 555 . 1 1 56 56 LEU HD13 H 1 0.810 0.000 . . . . . . A 65 LEU HD13 . 36175 1 556 . 1 1 56 56 LEU HD21 H 1 0.847 0.041 . . . . . . A 65 LEU HD21 . 36175 1 557 . 1 1 56 56 LEU HD22 H 1 0.757 0.006 . . . . . . A 65 LEU HD22 . 36175 1 558 . 1 1 56 56 LEU HD23 H 1 0.847 0.041 . . . . . . A 65 LEU HD23 . 36175 1 559 . 1 1 56 56 LEU CA C 13 50.904 6.614 . . . . . . A 65 LEU CA . 36175 1 560 . 1 1 56 56 LEU CB C 13 41.114 0.057 . . . . . . A 65 LEU CB . 36175 1 561 . 1 1 56 56 LEU CG C 13 25.609 0.000 . . . . . . A 65 LEU CG . 36175 1 562 . 1 1 56 56 LEU CD1 C 13 22.248 0.000 . . . . . . A 65 LEU CD1 . 36175 1 563 . 1 1 56 56 LEU CD2 C 13 24.040 0.000 . . . . . . A 65 LEU CD2 . 36175 1 564 . 1 1 56 56 LEU N N 15 122.895 0.068 . . . . . . A 65 LEU N . 36175 1 565 . 1 1 57 57 LEU H H 1 8.953 0.006 . . . . . . A 66 LEU H . 36175 1 566 . 1 1 57 57 LEU HA H 1 4.543 0.006 . . . . . . A 66 LEU HA . 36175 1 567 . 1 1 57 57 LEU HB2 H 1 1.749 0.002 . . . . . . A 66 LEU HB2 . 36175 1 568 . 1 1 57 57 LEU HB3 H 1 1.285 0.008 . . . . . . A 66 LEU HB3 . 36175 1 569 . 1 1 57 57 LEU HG H 1 1.944 0.000 . . . . . . A 66 LEU HG . 36175 1 570 . 1 1 57 57 LEU HD11 H 1 0.811 0.007 . . . . . . A 66 LEU HD11 . 36175 1 571 . 1 1 57 57 LEU HD12 H 1 0.811 0.007 . . . . . . A 66 LEU HD12 . 36175 1 572 . 1 1 57 57 LEU HD13 H 1 0.811 0.007 . . . . . . A 66 LEU HD13 . 36175 1 573 . 1 1 57 57 LEU CA C 13 52.592 0.124 . . . . . . A 66 LEU CA . 36175 1 574 . 1 1 57 57 LEU CB C 13 38.437 0.067 . . . . . . A 66 LEU CB . 36175 1 575 . 1 1 57 57 LEU CG C 13 25.592 0.000 . . . . . . A 66 LEU CG . 36175 1 576 . 1 1 57 57 LEU CD1 C 13 21.679 0.000 . . . . . . A 66 LEU CD1 . 36175 1 577 . 1 1 57 57 LEU CD2 C 13 21.679 0.000 . . . . . . A 66 LEU CD2 . 36175 1 578 . 1 1 57 57 LEU N N 15 126.947 0.076 . . . . . . A 66 LEU N . 36175 1 579 . 1 1 58 58 LEU H H 1 7.794 0.006 . . . . . . A 67 LEU H . 36175 1 580 . 1 1 58 58 LEU HA H 1 4.138 0.004 . . . . . . A 67 LEU HA . 36175 1 581 . 1 1 58 58 LEU HB2 H 1 1.592 0.007 . . . . . . A 67 LEU HB2 . 36175 1 582 . 1 1 58 58 LEU HD11 H 1 0.918 0.000 . . . . . . A 67 LEU HD11 . 36175 1 583 . 1 1 58 58 LEU HD12 H 1 0.918 0.000 . . . . . . A 67 LEU HD12 . 36175 1 584 . 1 1 58 58 LEU HD13 H 1 0.918 0.000 . . . . . . A 67 LEU HD13 . 36175 1 585 . 1 1 58 58 LEU HD21 H 1 0.848 0.000 . . . . . . A 67 LEU HD21 . 36175 1 586 . 1 1 58 58 LEU HD22 H 1 0.848 0.000 . . . . . . A 67 LEU HD22 . 36175 1 587 . 1 1 58 58 LEU HD23 H 1 0.848 0.000 . . . . . . A 67 LEU HD23 . 36175 1 588 . 1 1 58 58 LEU CA C 13 55.046 0.065 . . . . . . A 67 LEU CA . 36175 1 589 . 1 1 58 58 LEU CB C 13 41.372 0.102 . . . . . . A 67 LEU CB . 36175 1 590 . 1 1 58 58 LEU CG C 13 24.118 0.000 . . . . . . A 67 LEU CG . 36175 1 591 . 1 1 58 58 LEU CD1 C 13 22.019 0.000 . . . . . . A 67 LEU CD1 . 36175 1 592 . 1 1 58 58 LEU CD2 C 13 20.526 0.000 . . . . . . A 67 LEU CD2 . 36175 1 593 . 1 1 58 58 LEU N N 15 120.848 0.065 . . . . . . A 67 LEU N . 36175 1 594 . 1 1 59 59 ASP H H 1 8.317 0.006 . . . . . . A 68 ASP H . 36175 1 595 . 1 1 59 59 ASP HA H 1 4.846 0.005 . . . . . . A 68 ASP HA . 36175 1 596 . 1 1 59 59 ASP HB2 H 1 2.928 0.005 . . . . . . A 68 ASP HB2 . 36175 1 597 . 1 1 59 59 ASP HB3 H 1 2.505 0.005 . . . . . . A 68 ASP HB3 . 36175 1 598 . 1 1 59 59 ASP CA C 13 51.301 0.044 . . . . . . A 68 ASP CA . 36175 1 599 . 1 1 59 59 ASP CB C 13 40.304 0.044 . . . . . . A 68 ASP CB . 36175 1 600 . 1 1 59 59 ASP N N 15 119.209 0.024 . . . . . . A 68 ASP N . 36175 1 601 . 1 1 60 60 ASP H H 1 8.516 0.006 . . . . . . A 69 ASP H . 36175 1 602 . 1 1 60 60 ASP HA H 1 4.392 0.008 . . . . . . A 69 ASP HA . 36175 1 603 . 1 1 60 60 ASP HB2 H 1 2.764 0.003 . . . . . . A 69 ASP HB2 . 36175 1 604 . 1 1 60 60 ASP HB3 H 1 2.555 0.016 . . . . . . A 69 ASP HB3 . 36175 1 605 . 1 1 60 60 ASP CA C 13 53.232 0.036 . . . . . . A 69 ASP CA . 36175 1 606 . 1 1 60 60 ASP CB C 13 38.485 0.081 . . . . . . A 69 ASP CB . 36175 1 607 . 1 1 60 60 ASP N N 15 123.831 0.058 . . . . . . A 69 ASP N . 36175 1 608 . 1 1 61 61 SER H H 1 8.558 0.006 . . . . . . A 70 SER H . 36175 1 609 . 1 1 61 61 SER HA H 1 4.389 0.007 . . . . . . A 70 SER HA . 36175 1 610 . 1 1 61 61 SER HB2 H 1 4.076 0.010 . . . . . . A 70 SER HB2 . 36175 1 611 . 1 1 61 61 SER HB3 H 1 3.910 0.007 . . . . . . A 70 SER HB3 . 36175 1 612 . 1 1 61 61 SER CA C 13 58.737 0.025 . . . . . . A 70 SER CA . 36175 1 613 . 1 1 61 61 SER CB C 13 63.364 0.052 . . . . . . A 70 SER CB . 36175 1 614 . 1 1 61 61 SER N N 15 114.584 0.034 . . . . . . A 70 SER N . 36175 1 615 . 1 1 62 62 VAL H H 1 6.855 0.006 . . . . . . A 71 VAL H . 36175 1 616 . 1 1 62 62 VAL HA H 1 4.311 0.006 . . . . . . A 71 VAL HA . 36175 1 617 . 1 1 62 62 VAL HB H 1 2.141 0.004 . . . . . . A 71 VAL HB . 36175 1 618 . 1 1 62 62 VAL HG11 H 1 1.001 0.000 . . . . . . A 71 VAL HG11 . 36175 1 619 . 1 1 62 62 VAL HG12 H 1 1.001 0.000 . . . . . . A 71 VAL HG12 . 36175 1 620 . 1 1 62 62 VAL HG13 H 1 1.001 0.000 . . . . . . A 71 VAL HG13 . 36175 1 621 . 1 1 62 62 VAL HG21 H 1 0.968 0.013 . . . . . . A 71 VAL HG21 . 36175 1 622 . 1 1 62 62 VAL HG22 H 1 0.943 0.001 . . . . . . A 71 VAL HG22 . 36175 1 623 . 1 1 62 62 VAL HG23 H 1 0.968 0.013 . . . . . . A 71 VAL HG23 . 36175 1 624 . 1 1 62 62 VAL CA C 13 59.668 0.012 . . . . . . A 71 VAL CA . 36175 1 625 . 1 1 62 62 VAL CB C 13 31.535 0.036 . . . . . . A 71 VAL CB . 36175 1 626 . 1 1 62 62 VAL CG1 C 13 20.224 0.000 . . . . . . A 71 VAL CG1 . 36175 1 627 . 1 1 62 62 VAL CG2 C 13 17.862 0.213 . . . . . . A 71 VAL CG2 . 36175 1 628 . 1 1 62 62 VAL N N 15 115.697 0.028 . . . . . . A 71 VAL N . 36175 1 629 . 1 1 63 63 THR H H 1 8.186 0.006 . . . . . . A 72 THR H . 36175 1 630 . 1 1 63 63 THR HA H 1 4.778 0.007 . . . . . . A 72 THR HA . 36175 1 631 . 1 1 63 63 THR HB H 1 4.451 0.009 . . . . . . A 72 THR HB . 36175 1 632 . 1 1 63 63 THR HG21 H 1 1.235 0.004 . . . . . . A 72 THR HG21 . 36175 1 633 . 1 1 63 63 THR HG22 H 1 1.235 0.004 . . . . . . A 72 THR HG22 . 36175 1 634 . 1 1 63 63 THR HG23 H 1 1.235 0.004 . . . . . . A 72 THR HG23 . 36175 1 635 . 1 1 63 63 THR CA C 13 59.595 0.055 . . . . . . A 72 THR CA . 36175 1 636 . 1 1 63 63 THR CB C 13 65.292 8.590 . . . . . . A 72 THR CB . 36175 1 637 . 1 1 63 63 THR CG2 C 13 21.173 0.039 . . . . . . A 72 THR CG2 . 36175 1 638 . 1 1 63 63 THR N N 15 111.160 0.015 . . . . . . A 72 THR N . 36175 1 639 . 1 1 64 64 LEU H H 1 8.041 0.007 . . . . . . A 73 LEU H . 36175 1 640 . 1 1 64 64 LEU HA H 1 3.844 0.007 . . . . . . A 73 LEU HA . 36175 1 641 . 1 1 64 64 LEU HD11 H 1 0.853 0.014 . . . . . . A 73 LEU HD11 . 36175 1 642 . 1 1 64 64 LEU HD12 H 1 0.853 0.014 . . . . . . A 73 LEU HD12 . 36175 1 643 . 1 1 64 64 LEU HD13 H 1 0.853 0.014 . . . . . . A 73 LEU HD13 . 36175 1 644 . 1 1 64 64 LEU CA C 13 57.969 0.115 . . . . . . A 73 LEU CA . 36175 1 645 . 1 1 64 64 LEU CB C 13 39.441 0.170 . . . . . . A 73 LEU CB . 36175 1 646 . 1 1 64 64 LEU N N 15 120.877 0.013 . . . . . . A 73 LEU N . 36175 1 647 . 1 1 65 65 GLN H H 1 8.283 0.009 . . . . . . A 74 GLN H . 36175 1 648 . 1 1 65 65 GLN HA H 1 4.148 0.007 . . . . . . A 74 GLN HA . 36175 1 649 . 1 1 65 65 GLN HB2 H 1 1.984 0.008 . . . . . . A 74 GLN HB2 . 36175 1 650 . 1 1 65 65 GLN HG2 H 1 2.344 0.006 . . . . . . A 74 GLN HG2 . 36175 1 651 . 1 1 65 65 GLN CA C 13 57.984 0.064 . . . . . . A 74 GLN CA . 36175 1 652 . 1 1 65 65 GLN CB C 13 27.504 0.004 . . . . . . A 74 GLN CB . 36175 1 653 . 1 1 65 65 GLN N N 15 117.155 0.025 . . . . . . A 74 GLN N . 36175 1 654 . 1 1 66 66 THR H H 1 7.738 0.007 . . . . . . A 75 THR H . 36175 1 655 . 1 1 66 66 THR HA H 1 3.957 0.006 . . . . . . A 75 THR HA . 36175 1 656 . 1 1 66 66 THR HB H 1 4.384 0.006 . . . . . . A 75 THR HB . 36175 1 657 . 1 1 66 66 THR HG21 H 1 1.249 0.004 . . . . . . A 75 THR HG21 . 36175 1 658 . 1 1 66 66 THR HG22 H 1 1.253 0.000 . . . . . . A 75 THR HG22 . 36175 1 659 . 1 1 66 66 THR HG23 H 1 1.249 0.004 . . . . . . A 75 THR HG23 . 36175 1 660 . 1 1 66 66 THR CA C 13 65.143 0.026 . . . . . . A 75 THR CA . 36175 1 661 . 1 1 66 66 THR CB C 13 67.895 0.067 . . . . . . A 75 THR CB . 36175 1 662 . 1 1 66 66 THR N N 15 116.181 0.023 . . . . . . A 75 THR N . 36175 1 663 . 1 1 67 67 VAL H H 1 7.442 0.007 . . . . . . A 76 VAL H . 36175 1 664 . 1 1 67 67 VAL HA H 1 4.195 0.005 . . . . . . A 76 VAL HA . 36175 1 665 . 1 1 67 67 VAL HB H 1 2.395 0.005 . . . . . . A 76 VAL HB . 36175 1 666 . 1 1 67 67 VAL HG11 H 1 0.967 0.000 . . . . . . A 76 VAL HG11 . 36175 1 667 . 1 1 67 67 VAL HG12 H 1 0.967 0.000 . . . . . . A 76 VAL HG12 . 36175 1 668 . 1 1 67 67 VAL HG13 H 1 0.967 0.000 . . . . . . A 76 VAL HG13 . 36175 1 669 . 1 1 67 67 VAL HG21 H 1 0.918 0.011 . . . . . . A 76 VAL HG21 . 36175 1 670 . 1 1 67 67 VAL HG22 H 1 0.881 0.000 . . . . . . A 76 VAL HG22 . 36175 1 671 . 1 1 67 67 VAL HG23 H 1 0.918 0.011 . . . . . . A 76 VAL HG23 . 36175 1 672 . 1 1 67 67 VAL CA C 13 61.742 0.054 . . . . . . A 76 VAL CA . 36175 1 673 . 1 1 67 67 VAL CB C 13 30.440 0.008 . . . . . . A 76 VAL CB . 36175 1 674 . 1 1 67 67 VAL CG1 C 13 21.178 0.000 . . . . . . A 76 VAL CG1 . 36175 1 675 . 1 1 67 67 VAL CG2 C 13 20.309 0.000 . . . . . . A 76 VAL CG2 . 36175 1 676 . 1 1 67 67 VAL N N 15 115.565 0.055 . . . . . . A 76 VAL N . 36175 1 677 . 1 1 68 68 GLY H H 1 7.638 0.006 . . . . . . A 77 GLY H . 36175 1 678 . 1 1 68 68 GLY HA2 H 1 4.108 0.011 . . . . . . A 77 GLY HA2 . 36175 1 679 . 1 1 68 68 GLY HA3 H 1 3.783 0.000 . . . . . . A 77 GLY HA3 . 36175 1 680 . 1 1 68 68 GLY CA C 13 45.477 0.038 . . . . . . A 77 GLY CA . 36175 1 681 . 1 1 68 68 GLY N N 15 107.261 0.016 . . . . . . A 77 GLY N . 36175 1 682 . 1 1 69 69 VAL H H 1 7.305 0.006 . . . . . . A 78 VAL H . 36175 1 683 . 1 1 69 69 VAL HA H 1 3.719 0.008 . . . . . . A 78 VAL HA . 36175 1 684 . 1 1 69 69 VAL HB H 1 1.713 0.003 . . . . . . A 78 VAL HB . 36175 1 685 . 1 1 69 69 VAL HG11 H 1 0.701 0.009 . . . . . . A 78 VAL HG11 . 36175 1 686 . 1 1 69 69 VAL HG12 H 1 0.701 0.009 . . . . . . A 78 VAL HG12 . 36175 1 687 . 1 1 69 69 VAL HG13 H 1 0.701 0.009 . . . . . . A 78 VAL HG13 . 36175 1 688 . 1 1 69 69 VAL CA C 13 62.341 0.083 . . . . . . A 78 VAL CA . 36175 1 689 . 1 1 69 69 VAL CB C 13 30.476 0.104 . . . . . . A 78 VAL CB . 36175 1 690 . 1 1 69 69 VAL CG1 C 13 20.598 0.000 . . . . . . A 78 VAL CG1 . 36175 1 691 . 1 1 69 69 VAL CG2 C 13 18.845 0.125 . . . . . . A 78 VAL CG2 . 36175 1 692 . 1 1 69 69 VAL N N 15 119.657 0.020 . . . . . . A 78 VAL N . 36175 1 693 . 1 1 70 70 LYS H H 1 8.630 0.005 . . . . . . A 79 LYS H . 36175 1 694 . 1 1 70 70 LYS HA H 1 4.545 0.006 . . . . . . A 79 LYS HA . 36175 1 695 . 1 1 70 70 LYS HB2 H 1 1.864 0.010 . . . . . . A 79 LYS HB2 . 36175 1 696 . 1 1 70 70 LYS HB3 H 1 1.754 0.000 . . . . . . A 79 LYS HB3 . 36175 1 697 . 1 1 70 70 LYS HG2 H 1 1.422 0.006 . . . . . . A 79 LYS HG2 . 36175 1 698 . 1 1 70 70 LYS HE2 H 1 3.005 0.004 . . . . . . A 79 LYS HE2 . 36175 1 699 . 1 1 70 70 LYS CA C 13 53.534 0.096 . . . . . . A 79 LYS CA . 36175 1 700 . 1 1 70 70 LYS CB C 13 34.888 0.089 . . . . . . A 79 LYS CB . 36175 1 701 . 1 1 70 70 LYS CG C 13 22.709 0.000 . . . . . . A 79 LYS CG . 36175 1 702 . 1 1 70 70 LYS CD C 13 27.917 0.000 . . . . . . A 79 LYS CD . 36175 1 703 . 1 1 70 70 LYS CE C 13 41.263 0.012 . . . . . . A 79 LYS CE . 36175 1 704 . 1 1 70 70 LYS N N 15 125.668 0.023 . . . . . . A 79 LYS N . 36175 1 705 . 1 1 71 71 LYS H H 1 8.439 0.005 . . . . . . A 80 LYS H . 36175 1 706 . 1 1 71 71 LYS HA H 1 3.949 0.005 . . . . . . A 80 LYS HA . 36175 1 707 . 1 1 71 71 LYS HB2 H 1 1.807 0.000 . . . . . . A 80 LYS HB2 . 36175 1 708 . 1 1 71 71 LYS HB3 H 1 1.720 0.002 . . . . . . A 80 LYS HB3 . 36175 1 709 . 1 1 71 71 LYS HG2 H 1 1.389 0.000 . . . . . . A 80 LYS HG2 . 36175 1 710 . 1 1 71 71 LYS HE2 H 1 2.984 0.004 . . . . . . A 80 LYS HE2 . 36175 1 711 . 1 1 71 71 LYS CA C 13 57.938 0.112 . . . . . . A 80 LYS CA . 36175 1 712 . 1 1 71 71 LYS CB C 13 31.489 0.025 . . . . . . A 80 LYS CB . 36175 1 713 . 1 1 71 71 LYS CG C 13 23.513 0.000 . . . . . . A 80 LYS CG . 36175 1 714 . 1 1 71 71 LYS CD C 13 28.582 0.000 . . . . . . A 80 LYS CD . 36175 1 715 . 1 1 71 71 LYS CE C 13 41.204 0.000 . . . . . . A 80 LYS CE . 36175 1 716 . 1 1 71 71 LYS N N 15 119.567 0.099 . . . . . . A 80 LYS N . 36175 1 717 . 1 1 72 72 ASP H H 1 9.300 0.006 . . . . . . A 81 ASP H . 36175 1 718 . 1 1 72 72 ASP HA H 1 4.158 0.004 . . . . . . A 81 ASP HA . 36175 1 719 . 1 1 72 72 ASP HB2 H 1 3.026 0.005 . . . . . . A 81 ASP HB2 . 36175 1 720 . 1 1 72 72 ASP HB3 H 1 2.804 0.007 . . . . . . A 81 ASP HB3 . 36175 1 721 . 1 1 72 72 ASP CA C 13 55.592 0.187 . . . . . . A 81 ASP CA . 36175 1 722 . 1 1 72 72 ASP CB C 13 37.930 0.120 . . . . . . A 81 ASP CB . 36175 1 723 . 1 1 72 72 ASP N N 15 119.752 0.048 . . . . . . A 81 ASP N . 36175 1 724 . 1 1 73 73 SER H H 1 8.351 0.007 . . . . . . A 82 SER H . 36175 1 725 . 1 1 73 73 SER HA H 1 4.303 0.000 . . . . . . A 82 SER HA . 36175 1 726 . 1 1 73 73 SER HB2 H 1 3.938 0.003 . . . . . . A 82 SER HB2 . 36175 1 727 . 1 1 73 73 SER HB3 H 1 3.695 0.002 . . . . . . A 82 SER HB3 . 36175 1 728 . 1 1 73 73 SER CA C 13 61.651 0.000 . . . . . . A 82 SER CA . 36175 1 729 . 1 1 73 73 SER CB C 13 64.389 0.000 . . . . . . A 82 SER CB . 36175 1 730 . 1 1 73 73 SER N N 15 119.196 0.020 . . . . . . A 82 SER N . 36175 1 731 . 1 1 74 74 VAL H H 1 8.404 0.005 . . . . . . A 83 VAL H . 36175 1 732 . 1 1 74 74 VAL HA H 1 4.477 0.004 . . . . . . A 83 VAL HA . 36175 1 733 . 1 1 74 74 VAL HB H 1 1.853 0.005 . . . . . . A 83 VAL HB . 36175 1 734 . 1 1 74 74 VAL HG11 H 1 0.826 0.003 . . . . . . A 83 VAL HG11 . 36175 1 735 . 1 1 74 74 VAL HG12 H 1 0.826 0.003 . . . . . . A 83 VAL HG12 . 36175 1 736 . 1 1 74 74 VAL HG13 H 1 0.826 0.003 . . . . . . A 83 VAL HG13 . 36175 1 737 . 1 1 74 74 VAL HG21 H 1 0.716 0.007 . . . . . . A 83 VAL HG21 . 36175 1 738 . 1 1 74 74 VAL HG22 H 1 0.716 0.007 . . . . . . A 83 VAL HG22 . 36175 1 739 . 1 1 74 74 VAL HG23 H 1 0.716 0.007 . . . . . . A 83 VAL HG23 . 36175 1 740 . 1 1 74 74 VAL CA C 13 59.693 0.049 . . . . . . A 83 VAL CA . 36175 1 741 . 1 1 74 74 VAL CB C 13 33.380 0.065 . . . . . . A 83 VAL CB . 36175 1 742 . 1 1 74 74 VAL CG1 C 13 20.109 0.000 . . . . . . A 83 VAL CG1 . 36175 1 743 . 1 1 74 74 VAL CG2 C 13 20.109 0.000 . . . . . . A 83 VAL CG2 . 36175 1 744 . 1 1 74 74 VAL N N 15 120.344 0.058 . . . . . . A 83 VAL N . 36175 1 745 . 1 1 75 75 PHE H H 1 9.331 0.006 . . . . . . A 84 PHE H . 36175 1 746 . 1 1 75 75 PHE HA H 1 5.093 0.005 . . . . . . A 84 PHE HA . 36175 1 747 . 1 1 75 75 PHE HB2 H 1 3.152 0.003 . . . . . . A 84 PHE HB2 . 36175 1 748 . 1 1 75 75 PHE HB3 H 1 2.740 0.002 . . . . . . A 84 PHE HB3 . 36175 1 749 . 1 1 75 75 PHE HD1 H 1 6.950 0.003 . . . . . . A 84 PHE HD1 . 36175 1 750 . 1 1 75 75 PHE HD2 H 1 6.759 0.009 . . . . . . A 84 PHE HD2 . 36175 1 751 . 1 1 75 75 PHE HE1 H 1 7.461 0.000 . . . . . . A 84 PHE HE1 . 36175 1 752 . 1 1 75 75 PHE HE2 H 1 7.461 0.000 . . . . . . A 84 PHE HE2 . 36175 1 753 . 1 1 75 75 PHE CA C 13 53.647 0.048 . . . . . . A 84 PHE CA . 36175 1 754 . 1 1 75 75 PHE CB C 13 37.928 0.114 . . . . . . A 84 PHE CB . 36175 1 755 . 1 1 75 75 PHE N N 15 127.358 0.020 . . . . . . A 84 PHE N . 36175 1 756 . 1 1 76 76 VAL H H 1 9.045 0.005 . . . . . . A 85 VAL H . 36175 1 757 . 1 1 76 76 VAL HA H 1 4.525 0.006 . . . . . . A 85 VAL HA . 36175 1 758 . 1 1 76 76 VAL HG11 H 1 0.852 0.005 . . . . . . A 85 VAL HG11 . 36175 1 759 . 1 1 76 76 VAL HG12 H 1 0.852 0.005 . . . . . . A 85 VAL HG12 . 36175 1 760 . 1 1 76 76 VAL HG13 H 1 0.852 0.005 . . . . . . A 85 VAL HG13 . 36175 1 761 . 1 1 76 76 VAL HG21 H 1 0.852 0.005 . . . . . . A 85 VAL HG21 . 36175 1 762 . 1 1 76 76 VAL HG22 H 1 0.852 0.005 . . . . . . A 85 VAL HG22 . 36175 1 763 . 1 1 76 76 VAL HG23 H 1 0.852 0.005 . . . . . . A 85 VAL HG23 . 36175 1 764 . 1 1 76 76 VAL CA C 13 61.129 0.030 . . . . . . A 85 VAL CA . 36175 1 765 . 1 1 76 76 VAL CB C 13 32.161 0.086 . . . . . . A 85 VAL CB . 36175 1 766 . 1 1 76 76 VAL CG1 C 13 20.278 0.000 . . . . . . A 85 VAL CG1 . 36175 1 767 . 1 1 76 76 VAL CG2 C 13 20.278 0.000 . . . . . . A 85 VAL CG2 . 36175 1 768 . 1 1 76 76 VAL N N 15 125.854 0.042 . . . . . . A 85 VAL N . 36175 1 769 . 1 1 77 77 LEU H H 1 8.429 0.006 . . . . . . A 86 LEU H . 36175 1 770 . 1 1 77 77 LEU CA C 13 53.948 0.070 . . . . . . A 86 LEU CA . 36175 1 771 . 1 1 77 77 LEU CB C 13 40.261 0.047 . . . . . . A 86 LEU CB . 36175 1 772 . 1 1 77 77 LEU N N 15 126.657 0.078 . . . . . . A 86 LEU N . 36175 1 773 . 1 1 78 78 VAL H H 1 9.211 0.006 . . . . . . A 87 VAL H . 36175 1 774 . 1 1 78 78 VAL HA H 1 4.415 0.003 . . . . . . A 87 VAL HA . 36175 1 775 . 1 1 78 78 VAL HB H 1 2.254 0.000 . . . . . . A 87 VAL HB . 36175 1 776 . 1 1 78 78 VAL HG21 H 1 0.831 0.010 . . . . . . A 87 VAL HG21 . 36175 1 777 . 1 1 78 78 VAL HG22 H 1 0.831 0.010 . . . . . . A 87 VAL HG22 . 36175 1 778 . 1 1 78 78 VAL HG23 H 1 0.831 0.010 . . . . . . A 87 VAL HG23 . 36175 1 779 . 1 1 78 78 VAL CA C 13 60.000 0.000 . . . . . . A 87 VAL CA . 36175 1 780 . 1 1 78 78 VAL CB C 13 33.454 0.000 . . . . . . A 87 VAL CB . 36175 1 781 . 1 1 78 78 VAL CG1 C 13 21.435 0.000 . . . . . . A 87 VAL CG1 . 36175 1 782 . 1 1 78 78 VAL CG2 C 13 21.435 0.000 . . . . . . A 87 VAL CG2 . 36175 1 783 . 1 1 78 78 VAL N N 15 125.699 0.044 . . . . . . A 87 VAL N . 36175 1 784 . 1 1 79 79 ARG H H 1 8.499 0.002 . . . . . . A 88 ARG H . 36175 1 785 . 1 1 79 79 ARG HA H 1 3.707 0.006 . . . . . . A 88 ARG HA . 36175 1 786 . 1 1 79 79 ARG HB2 H 1 1.676 0.010 . . . . . . A 88 ARG HB2 . 36175 1 787 . 1 1 79 79 ARG HB3 H 1 1.676 0.010 . . . . . . A 88 ARG HB3 . 36175 1 788 . 1 1 79 79 ARG HD2 H 1 3.041 0.005 . . . . . . A 88 ARG HD2 . 36175 1 789 . 1 1 79 79 ARG HD3 H 1 3.041 0.005 . . . . . . A 88 ARG HD3 . 36175 1 790 . 1 1 79 79 ARG CA C 13 56.445 0.078 . . . . . . A 88 ARG CA . 36175 1 791 . 1 1 79 79 ARG CB C 13 29.245 0.040 . . . . . . A 88 ARG CB . 36175 1 792 . 1 1 79 79 ARG CG C 13 26.942 0.000 . . . . . . A 88 ARG CG . 36175 1 793 . 1 1 79 79 ARG CD C 13 42.170 0.000 . . . . . . A 88 ARG CD . 36175 1 794 . 1 1 79 79 ARG N N 15 121.252 0.018 . . . . . . A 88 ARG N . 36175 1 795 . 1 1 80 80 LYS H H 1 8.452 0.006 . . . . . . A 89 LYS H . 36175 1 796 . 1 1 80 80 LYS HA H 1 3.878 0.004 . . . . . . A 89 LYS HA . 36175 1 797 . 1 1 80 80 LYS HB2 H 1 1.725 0.000 . . . . . . A 89 LYS HB2 . 36175 1 798 . 1 1 80 80 LYS HB3 H 1 1.429 0.004 . . . . . . A 89 LYS HB3 . 36175 1 799 . 1 1 80 80 LYS HD2 H 1 1.578 0.000 . . . . . . A 89 LYS HD2 . 36175 1 800 . 1 1 80 80 LYS HD3 H 1 1.578 0.000 . . . . . . A 89 LYS HD3 . 36175 1 801 . 1 1 80 80 LYS HE2 H 1 2.243 0.000 . . . . . . A 89 LYS HE2 . 36175 1 802 . 1 1 80 80 LYS HE3 H 1 2.243 0.000 . . . . . . A 89 LYS HE3 . 36175 1 803 . 1 1 80 80 LYS CA C 13 57.618 0.011 . . . . . . A 89 LYS CA . 36175 1 804 . 1 1 80 80 LYS CB C 13 32.701 0.075 . . . . . . A 89 LYS CB . 36175 1 805 . 1 1 80 80 LYS CG C 13 23.552 0.000 . . . . . . A 89 LYS CG . 36175 1 806 . 1 1 80 80 LYS CD C 13 27.798 0.000 . . . . . . A 89 LYS CD . 36175 1 807 . 1 1 80 80 LYS N N 15 125.800 0.045 . . . . . . A 89 LYS N . 36175 1 808 . 1 1 81 81 ALA H H 1 8.413 0.015 . . . . . . A 90 ALA H . 36175 1 809 . 1 1 81 81 ALA HA H 1 4.208 0.000 . . . . . . A 90 ALA HA . 36175 1 810 . 1 1 81 81 ALA HB1 H 1 1.341 0.003 . . . . . . A 90 ALA HB1 . 36175 1 811 . 1 1 81 81 ALA HB2 H 1 1.341 0.003 . . . . . . A 90 ALA HB2 . 36175 1 812 . 1 1 81 81 ALA HB3 H 1 1.341 0.003 . . . . . . A 90 ALA HB3 . 36175 1 813 . 1 1 81 81 ALA CB C 13 27.674 15.773 . . . . . . A 90 ALA CB . 36175 1 814 . 1 1 81 81 ALA N N 15 122.998 0.056 . . . . . . A 90 ALA N . 36175 1 stop_ save_