data_25790 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25790 _Entry.Title ; Solution structure of regulatory protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-02 _Entry.Accession_date 2015-09-02 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vaclav Veverka . . . . 25790 2 Rozalie Hexnerova . . . . 25790 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25790 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25790 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25790 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 25790 '15N chemical shifts' 83 25790 '1H chemical shifts' 508 25790 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 . . 2016-07-13 . original BMRB . 25790 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25791 'kinase in complex with its regulatory protein' 25790 PDB 2N72 'BMRB Entry Tracking System' 25790 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25790 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27009356 _Citation.Full_citation . _Citation.Title ; Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 23641 _Citation.Page_last 23641 _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 Martin Klima . . . . 25790 1 2 Daniel Toth . J. . . 25790 1 3 Rozalie Hexnerova . . . . 25790 1 4 Adriana Baumlova . . . . 25790 1 5 Dominika Chalupska . . . . 25790 1 6 Jan Tykvart . . . . 25790 1 7 Lenka Rezabkova . . . . 25790 1 8 Nivedita Sengupta . . . . 25790 1 9 Petr Man . . . . 25790 1 10 Anna Dubankova . . . . 25790 1 11 Jana Humpolickova . . . . 25790 1 12 Radim Nencka . . . . 25790 1 13 Vaclav Veverka . . . . 25790 1 14 Tamas Balla . . . . 25790 1 15 Evzen Boura . . . . 25790 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25790 _Assembly.ID 1 _Assembly.Name 'polyQ regulatory protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25790 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25790 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQQKQQIMAALNSQTAVQFQ QYAAQQYPGNYEQQQILIRQ LQEQHYQQYMQQLYQVQLAQ QQAALQKQQ ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8293.291 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25790 1 2 2 GLN . 25790 1 3 3 GLN . 25790 1 4 4 LYS . 25790 1 5 5 GLN . 25790 1 6 6 GLN . 25790 1 7 7 ILE . 25790 1 8 8 MET . 25790 1 9 9 ALA . 25790 1 10 10 ALA . 25790 1 11 11 LEU . 25790 1 12 12 ASN . 25790 1 13 13 SER . 25790 1 14 14 GLN . 25790 1 15 15 THR . 25790 1 16 16 ALA . 25790 1 17 17 VAL . 25790 1 18 18 GLN . 25790 1 19 19 PHE . 25790 1 20 20 GLN . 25790 1 21 21 GLN . 25790 1 22 22 TYR . 25790 1 23 23 ALA . 25790 1 24 24 ALA . 25790 1 25 25 GLN . 25790 1 26 26 GLN . 25790 1 27 27 TYR . 25790 1 28 28 PRO . 25790 1 29 29 GLY . 25790 1 30 30 ASN . 25790 1 31 31 TYR . 25790 1 32 32 GLU . 25790 1 33 33 GLN . 25790 1 34 34 GLN . 25790 1 35 35 GLN . 25790 1 36 36 ILE . 25790 1 37 37 LEU . 25790 1 38 38 ILE . 25790 1 39 39 ARG . 25790 1 40 40 GLN . 25790 1 41 41 LEU . 25790 1 42 42 GLN . 25790 1 43 43 GLU . 25790 1 44 44 GLN . 25790 1 45 45 HIS . 25790 1 46 46 TYR . 25790 1 47 47 GLN . 25790 1 48 48 GLN . 25790 1 49 49 TYR . 25790 1 50 50 MET . 25790 1 51 51 GLN . 25790 1 52 52 GLN . 25790 1 53 53 LEU . 25790 1 54 54 TYR . 25790 1 55 55 GLN . 25790 1 56 56 VAL . 25790 1 57 57 GLN . 25790 1 58 58 LEU . 25790 1 59 59 ALA . 25790 1 60 60 GLN . 25790 1 61 61 GLN . 25790 1 62 62 GLN . 25790 1 63 63 ALA . 25790 1 64 64 ALA . 25790 1 65 65 LEU . 25790 1 66 66 GLN . 25790 1 67 67 LYS . 25790 1 68 68 GLN . 25790 1 69 69 GLN . 25790 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 25790 1 . GLN 2 2 25790 1 . GLN 3 3 25790 1 . LYS 4 4 25790 1 . GLN 5 5 25790 1 . GLN 6 6 25790 1 . ILE 7 7 25790 1 . MET 8 8 25790 1 . ALA 9 9 25790 1 . ALA 10 10 25790 1 . LEU 11 11 25790 1 . ASN 12 12 25790 1 . SER 13 13 25790 1 . GLN 14 14 25790 1 . THR 15 15 25790 1 . ALA 16 16 25790 1 . VAL 17 17 25790 1 . GLN 18 18 25790 1 . PHE 19 19 25790 1 . GLN 20 20 25790 1 . GLN 21 21 25790 1 . TYR 22 22 25790 1 . ALA 23 23 25790 1 . ALA 24 24 25790 1 . GLN 25 25 25790 1 . GLN 26 26 25790 1 . TYR 27 27 25790 1 . PRO 28 28 25790 1 . GLY 29 29 25790 1 . ASN 30 30 25790 1 . TYR 31 31 25790 1 . GLU 32 32 25790 1 . GLN 33 33 25790 1 . GLN 34 34 25790 1 . GLN 35 35 25790 1 . ILE 36 36 25790 1 . LEU 37 37 25790 1 . ILE 38 38 25790 1 . ARG 39 39 25790 1 . GLN 40 40 25790 1 . LEU 41 41 25790 1 . GLN 42 42 25790 1 . GLU 43 43 25790 1 . GLN 44 44 25790 1 . HIS 45 45 25790 1 . TYR 46 46 25790 1 . GLN 47 47 25790 1 . GLN 48 48 25790 1 . TYR 49 49 25790 1 . MET 50 50 25790 1 . GLN 51 51 25790 1 . GLN 52 52 25790 1 . LEU 53 53 25790 1 . TYR 54 54 25790 1 . GLN 55 55 25790 1 . VAL 56 56 25790 1 . GLN 57 57 25790 1 . LEU 58 58 25790 1 . ALA 59 59 25790 1 . GLN 60 60 25790 1 . GLN 61 61 25790 1 . GLN 62 62 25790 1 . ALA 63 63 25790 1 . ALA 64 64 25790 1 . LEU 65 65 25790 1 . GLN 66 66 25790 1 . LYS 67 67 25790 1 . GLN 68 68 25790 1 . GLN 69 69 25790 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 25790 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25790 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 25790 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . n/a . . . 25790 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25790 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 0.28 . . mM . . . . 25790 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25790 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25790 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 25790 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25790 1 pH 6.5 . pH 25790 1 pressure 1 . atm 25790 1 temperature 298 . K 25790 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25790 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25790 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25790 1 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25790 _Software.ID 2 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID na . . 25790 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25790 2 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 25790 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25790 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 25790 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25790 1 2 spectrometer_2 Bruker Avance . 850 . . . 25790 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 25790 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25790 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25790 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25790 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25790 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25790 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25790 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25790 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25790 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 25790 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25790 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25790 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25790 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 25790 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 25790 1 3 '3D HNCO' . . . 25790 1 8 '3D HCCH-TOCSY' . . . 25790 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HA H 1 4.447 0.015 . . . . . A 2 GLN HA . 25790 1 2 . 1 1 2 2 GLN HB2 H 1 2.217 0.015 . . . . . A 2 GLN HB2 . 25790 1 3 . 1 1 2 2 GLN HB3 H 1 2.063 0.015 . . . . . A 2 GLN HB3 . 25790 1 4 . 1 1 2 2 GLN HG2 H 1 2.468 0.015 . . . . . A 2 GLN HG2 . 25790 1 5 . 1 1 2 2 GLN HG3 H 1 2.468 0.015 . . . . . A 2 GLN HG3 . 25790 1 6 . 1 1 2 2 GLN C C 13 176.144 0.150 . . . . . A 2 GLN C . 25790 1 7 . 1 1 2 2 GLN CA C 13 56.209 0.150 . . . . . A 2 GLN CA . 25790 1 8 . 1 1 2 2 GLN CB C 13 29.459 0.150 . . . . . A 2 GLN CB . 25790 1 9 . 1 1 2 2 GLN CG C 13 34.052 0.150 . . . . . A 2 GLN CG . 25790 1 10 . 1 1 3 3 GLN H H 1 8.780 0.015 . . . . . A 3 GLN H . 25790 1 11 . 1 1 3 3 GLN HA H 1 4.323 0.015 . . . . . A 3 GLN HA . 25790 1 12 . 1 1 3 3 GLN HB2 H 1 2.226 0.015 . . . . . A 3 GLN HB2 . 25790 1 13 . 1 1 3 3 GLN HB3 H 1 2.085 0.015 . . . . . A 3 GLN HB3 . 25790 1 14 . 1 1 3 3 GLN HG2 H 1 2.457 0.015 . . . . . A 3 GLN HG2 . 25790 1 15 . 1 1 3 3 GLN HG3 H 1 2.419 0.015 . . . . . A 3 GLN HG3 . 25790 1 16 . 1 1 3 3 GLN C C 13 176.988 0.150 . . . . . A 3 GLN C . 25790 1 17 . 1 1 3 3 GLN CA C 13 57.403 0.150 . . . . . A 3 GLN CA . 25790 1 18 . 1 1 3 3 GLN CB C 13 29.239 0.150 . . . . . A 3 GLN CB . 25790 1 19 . 1 1 3 3 GLN CG C 13 34.053 0.150 . . . . . A 3 GLN CG . 25790 1 20 . 1 1 3 3 GLN N N 15 122.052 0.150 . . . . . A 3 GLN N . 25790 1 21 . 1 1 4 4 LYS H H 1 8.528 0.015 . . . . . A 4 LYS H . 25790 1 22 . 1 1 4 4 LYS HA H 1 4.004 0.015 . . . . . A 4 LYS HA . 25790 1 23 . 1 1 4 4 LYS HB2 H 1 1.891 0.015 . . . . . A 4 LYS HB2 . 25790 1 24 . 1 1 4 4 LYS HB3 H 1 1.728 0.015 . . . . . A 4 LYS HB3 . 25790 1 25 . 1 1 4 4 LYS HG2 H 1 0.995 0.015 . . . . . A 4 LYS HG2 . 25790 1 26 . 1 1 4 4 LYS HG3 H 1 0.921 0.015 . . . . . A 4 LYS HG3 . 25790 1 27 . 1 1 4 4 LYS HD2 H 1 1.547 0.015 . . . . . A 4 LYS HD2 . 25790 1 28 . 1 1 4 4 LYS HD3 H 1 1.547 0.015 . . . . . A 4 LYS HD3 . 25790 1 29 . 1 1 4 4 LYS HE2 H 1 2.727 0.015 . . . . . A 4 LYS HE2 . 25790 1 30 . 1 1 4 4 LYS HE3 H 1 2.547 0.015 . . . . . A 4 LYS HE3 . 25790 1 31 . 1 1 4 4 LYS C C 13 177.638 0.150 . . . . . A 4 LYS C . 25790 1 32 . 1 1 4 4 LYS CA C 13 60.239 0.150 . . . . . A 4 LYS CA . 25790 1 33 . 1 1 4 4 LYS CB C 13 32.699 0.150 . . . . . A 4 LYS CB . 25790 1 34 . 1 1 4 4 LYS CG C 13 24.650 0.150 . . . . . A 4 LYS CG . 25790 1 35 . 1 1 4 4 LYS CD C 13 29.925 0.150 . . . . . A 4 LYS CD . 25790 1 36 . 1 1 4 4 LYS CE C 13 42.186 0.150 . . . . . A 4 LYS CE . 25790 1 37 . 1 1 4 4 LYS N N 15 121.855 0.150 . . . . . A 4 LYS N . 25790 1 38 . 1 1 5 5 GLN H H 1 8.223 0.015 . . . . . A 5 GLN H . 25790 1 39 . 1 1 5 5 GLN HA H 1 3.941 0.015 . . . . . A 5 GLN HA . 25790 1 40 . 1 1 5 5 GLN HB2 H 1 2.122 0.015 . . . . . A 5 GLN HB2 . 25790 1 41 . 1 1 5 5 GLN HB3 H 1 2.070 0.015 . . . . . A 5 GLN HB3 . 25790 1 42 . 1 1 5 5 GLN HG2 H 1 2.442 0.015 . . . . . A 5 GLN HG2 . 25790 1 43 . 1 1 5 5 GLN HG3 H 1 2.442 0.015 . . . . . A 5 GLN HG3 . 25790 1 44 . 1 1 5 5 GLN C C 13 178.761 0.150 . . . . . A 5 GLN C . 25790 1 45 . 1 1 5 5 GLN CA C 13 59.349 0.150 . . . . . A 5 GLN CA . 25790 1 46 . 1 1 5 5 GLN CB C 13 27.950 0.150 . . . . . A 5 GLN CB . 25790 1 47 . 1 1 5 5 GLN CG C 13 34.207 0.150 . . . . . A 5 GLN CG . 25790 1 48 . 1 1 5 5 GLN N N 15 116.397 0.150 . . . . . A 5 GLN N . 25790 1 49 . 1 1 6 6 GLN H H 1 7.848 0.015 . . . . . A 6 GLN H . 25790 1 50 . 1 1 6 6 GLN HA H 1 4.128 0.015 . . . . . A 6 GLN HA . 25790 1 51 . 1 1 6 6 GLN HB2 H 1 2.249 0.015 . . . . . A 6 GLN HB2 . 25790 1 52 . 1 1 6 6 GLN HB3 H 1 2.168 0.015 . . . . . A 6 GLN HB3 . 25790 1 53 . 1 1 6 6 GLN HG2 H 1 2.427 0.015 . . . . . A 6 GLN HG2 . 25790 1 54 . 1 1 6 6 GLN HG3 H 1 2.427 0.015 . . . . . A 6 GLN HG3 . 25790 1 55 . 1 1 6 6 GLN C C 13 179.018 0.150 . . . . . A 6 GLN C . 25790 1 56 . 1 1 6 6 GLN CA C 13 59.089 0.150 . . . . . A 6 GLN CA . 25790 1 57 . 1 1 6 6 GLN CB C 13 28.710 0.150 . . . . . A 6 GLN CB . 25790 1 58 . 1 1 6 6 GLN CG C 13 34.239 0.150 . . . . . A 6 GLN CG . 25790 1 59 . 1 1 6 6 GLN N N 15 119.262 0.150 . . . . . A 6 GLN N . 25790 1 60 . 1 1 7 7 ILE H H 1 8.095 0.015 . . . . . A 7 ILE H . 25790 1 61 . 1 1 7 7 ILE HA H 1 3.583 0.015 . . . . . A 7 ILE HA . 25790 1 62 . 1 1 7 7 ILE HB H 1 2.110 0.015 . . . . . A 7 ILE HB . 25790 1 63 . 1 1 7 7 ILE HG12 H 1 1.757 0.015 . . . . . A 7 ILE HG12 . 25790 1 64 . 1 1 7 7 ILE HG13 H 1 1.176 0.015 . . . . . A 7 ILE HG13 . 25790 1 65 . 1 1 7 7 ILE HG21 H 1 0.974 0.015 . . . . . A 7 ILE HG21 . 25790 1 66 . 1 1 7 7 ILE HG22 H 1 0.974 0.015 . . . . . A 7 ILE HG22 . 25790 1 67 . 1 1 7 7 ILE HG23 H 1 0.974 0.015 . . . . . A 7 ILE HG23 . 25790 1 68 . 1 1 7 7 ILE HD11 H 1 1.006 0.015 . . . . . A 7 ILE HD11 . 25790 1 69 . 1 1 7 7 ILE HD12 H 1 1.006 0.015 . . . . . A 7 ILE HD12 . 25790 1 70 . 1 1 7 7 ILE HD13 H 1 1.006 0.015 . . . . . A 7 ILE HD13 . 25790 1 71 . 1 1 7 7 ILE C C 13 177.833 0.150 . . . . . A 7 ILE C . 25790 1 72 . 1 1 7 7 ILE CA C 13 65.129 0.150 . . . . . A 7 ILE CA . 25790 1 73 . 1 1 7 7 ILE CB C 13 38.206 0.150 . . . . . A 7 ILE CB . 25790 1 74 . 1 1 7 7 ILE CG1 C 13 29.172 0.150 . . . . . A 7 ILE CG1 . 25790 1 75 . 1 1 7 7 ILE CG2 C 13 17.221 0.150 . . . . . A 7 ILE CG2 . 25790 1 76 . 1 1 7 7 ILE CD1 C 13 13.328 0.150 . . . . . A 7 ILE CD1 . 25790 1 77 . 1 1 7 7 ILE N N 15 121.296 0.150 . . . . . A 7 ILE N . 25790 1 78 . 1 1 8 8 MET H H 1 8.672 0.015 . . . . . A 8 MET H . 25790 1 79 . 1 1 8 8 MET HA H 1 3.985 0.015 . . . . . A 8 MET HA . 25790 1 80 . 1 1 8 8 MET HB2 H 1 2.002 0.015 . . . . . A 8 MET HB2 . 25790 1 81 . 1 1 8 8 MET HB3 H 1 1.850 0.015 . . . . . A 8 MET HB3 . 25790 1 82 . 1 1 8 8 MET HG2 H 1 2.504 0.015 . . . . . A 8 MET HG2 . 25790 1 83 . 1 1 8 8 MET HG3 H 1 2.384 0.015 . . . . . A 8 MET HG3 . 25790 1 84 . 1 1 8 8 MET HE1 H 1 1.923 0.015 . . . . . A 8 MET HE1 . 25790 1 85 . 1 1 8 8 MET HE2 H 1 1.923 0.015 . . . . . A 8 MET HE2 . 25790 1 86 . 1 1 8 8 MET HE3 H 1 1.923 0.015 . . . . . A 8 MET HE3 . 25790 1 87 . 1 1 8 8 MET C C 13 177.355 0.150 . . . . . A 8 MET C . 25790 1 88 . 1 1 8 8 MET CA C 13 59.932 0.150 . . . . . A 8 MET CA . 25790 1 89 . 1 1 8 8 MET CB C 13 32.721 0.150 . . . . . A 8 MET CB . 25790 1 90 . 1 1 8 8 MET CG C 13 32.733 0.150 . . . . . A 8 MET CG . 25790 1 91 . 1 1 8 8 MET CE C 13 16.626 0.150 . . . . . A 8 MET CE . 25790 1 92 . 1 1 8 8 MET N N 15 117.603 0.150 . . . . . A 8 MET N . 25790 1 93 . 1 1 9 9 ALA H H 1 7.795 0.015 . . . . . A 9 ALA H . 25790 1 94 . 1 1 9 9 ALA HA H 1 4.046 0.015 . . . . . A 9 ALA HA . 25790 1 95 . 1 1 9 9 ALA HB1 H 1 1.482 0.015 . . . . . A 9 ALA HB1 . 25790 1 96 . 1 1 9 9 ALA HB2 H 1 1.482 0.015 . . . . . A 9 ALA HB2 . 25790 1 97 . 1 1 9 9 ALA HB3 H 1 1.482 0.015 . . . . . A 9 ALA HB3 . 25790 1 98 . 1 1 9 9 ALA C C 13 180.546 0.150 . . . . . A 9 ALA C . 25790 1 99 . 1 1 9 9 ALA CA C 13 55.385 0.150 . . . . . A 9 ALA CA . 25790 1 100 . 1 1 9 9 ALA CB C 13 17.898 0.150 . . . . . A 9 ALA CB . 25790 1 101 . 1 1 9 9 ALA N N 15 118.774 0.150 . . . . . A 9 ALA N . 25790 1 102 . 1 1 10 10 ALA H H 1 7.438 0.015 . . . . . A 10 ALA H . 25790 1 103 . 1 1 10 10 ALA HA H 1 4.205 0.015 . . . . . A 10 ALA HA . 25790 1 104 . 1 1 10 10 ALA HB1 H 1 1.467 0.015 . . . . . A 10 ALA HB1 . 25790 1 105 . 1 1 10 10 ALA HB2 H 1 1.467 0.015 . . . . . A 10 ALA HB2 . 25790 1 106 . 1 1 10 10 ALA HB3 H 1 1.467 0.015 . . . . . A 10 ALA HB3 . 25790 1 107 . 1 1 10 10 ALA C C 13 181.200 0.150 . . . . . A 10 ALA C . 25790 1 108 . 1 1 10 10 ALA CA C 13 55.012 0.150 . . . . . A 10 ALA CA . 25790 1 109 . 1 1 10 10 ALA CB C 13 19.261 0.150 . . . . . A 10 ALA CB . 25790 1 110 . 1 1 10 10 ALA N N 15 120.854 0.150 . . . . . A 10 ALA N . 25790 1 111 . 1 1 11 11 LEU H H 1 8.757 0.015 . . . . . A 11 LEU H . 25790 1 112 . 1 1 11 11 LEU HA H 1 3.748 0.015 . . . . . A 11 LEU HA . 25790 1 113 . 1 1 11 11 LEU HB2 H 1 2.050 0.015 . . . . . A 11 LEU HB2 . 25790 1 114 . 1 1 11 11 LEU HB3 H 1 1.826 0.015 . . . . . A 11 LEU HB3 . 25790 1 115 . 1 1 11 11 LEU HG H 1 1.677 0.015 . . . . . A 11 LEU HG . 25790 1 116 . 1 1 11 11 LEU HD11 H 1 0.521 0.015 . . . . . A 11 LEU HD11 . 25790 1 117 . 1 1 11 11 LEU HD12 H 1 0.521 0.015 . . . . . A 11 LEU HD12 . 25790 1 118 . 1 1 11 11 LEU HD13 H 1 0.521 0.015 . . . . . A 11 LEU HD13 . 25790 1 119 . 1 1 11 11 LEU HD21 H 1 -0.157 0.015 . . . . . A 11 LEU HD21 . 25790 1 120 . 1 1 11 11 LEU HD22 H 1 -0.157 0.015 . . . . . A 11 LEU HD22 . 25790 1 121 . 1 1 11 11 LEU HD23 H 1 -0.157 0.015 . . . . . A 11 LEU HD23 . 25790 1 122 . 1 1 11 11 LEU C C 13 179.041 0.150 . . . . . A 11 LEU C . 25790 1 123 . 1 1 11 11 LEU CA C 13 58.346 0.150 . . . . . A 11 LEU CA . 25790 1 124 . 1 1 11 11 LEU CB C 13 39.977 0.150 . . . . . A 11 LEU CB . 25790 1 125 . 1 1 11 11 LEU CG C 13 25.647 0.150 . . . . . A 11 LEU CG . 25790 1 126 . 1 1 11 11 LEU CD1 C 13 26.105 0.150 . . . . . A 11 LEU CD1 . 25790 1 127 . 1 1 11 11 LEU CD2 C 13 21.515 0.150 . . . . . A 11 LEU CD2 . 25790 1 128 . 1 1 11 11 LEU N N 15 120.775 0.150 . . . . . A 11 LEU N . 25790 1 129 . 1 1 12 12 ASN H H 1 8.850 0.015 . . . . . A 12 ASN H . 25790 1 130 . 1 1 12 12 ASN HA H 1 4.564 0.015 . . . . . A 12 ASN HA . 25790 1 131 . 1 1 12 12 ASN HB2 H 1 2.909 0.015 . . . . . A 12 ASN HB2 . 25790 1 132 . 1 1 12 12 ASN HB3 H 1 2.792 0.015 . . . . . A 12 ASN HB3 . 25790 1 133 . 1 1 12 12 ASN HD21 H 1 7.329 0.015 . . . . . A 12 ASN HD21 . 25790 1 134 . 1 1 12 12 ASN HD22 H 1 6.171 0.015 . . . . . A 12 ASN HD22 . 25790 1 135 . 1 1 12 12 ASN C C 13 178.900 0.150 . . . . . A 12 ASN C . 25790 1 136 . 1 1 12 12 ASN CA C 13 54.065 0.150 . . . . . A 12 ASN CA . 25790 1 137 . 1 1 12 12 ASN CB C 13 36.993 0.150 . . . . . A 12 ASN CB . 25790 1 138 . 1 1 12 12 ASN N N 15 116.313 0.150 . . . . . A 12 ASN N . 25790 1 139 . 1 1 12 12 ASN ND2 N 15 106.606 0.150 . . . . . A 12 ASN ND2 . 25790 1 140 . 1 1 13 13 SER H H 1 7.672 0.015 . . . . . A 13 SER H . 25790 1 141 . 1 1 13 13 SER HA H 1 4.370 0.015 . . . . . A 13 SER HA . 25790 1 142 . 1 1 13 13 SER HB2 H 1 4.031 0.015 . . . . . A 13 SER HB2 . 25790 1 143 . 1 1 13 13 SER HB3 H 1 4.031 0.015 . . . . . A 13 SER HB3 . 25790 1 144 . 1 1 13 13 SER C C 13 176.515 0.150 . . . . . A 13 SER C . 25790 1 145 . 1 1 13 13 SER CA C 13 61.141 0.150 . . . . . A 13 SER CA . 25790 1 146 . 1 1 13 13 SER CB C 13 63.044 0.150 . . . . . A 13 SER CB . 25790 1 147 . 1 1 13 13 SER N N 15 114.747 0.150 . . . . . A 13 SER N . 25790 1 148 . 1 1 14 14 GLN H H 1 7.573 0.015 . . . . . A 14 GLN H . 25790 1 149 . 1 1 14 14 GLN HA H 1 4.218 0.015 . . . . . A 14 GLN HA . 25790 1 150 . 1 1 14 14 GLN HB2 H 1 2.255 0.015 . . . . . A 14 GLN HB2 . 25790 1 151 . 1 1 14 14 GLN HB3 H 1 2.255 0.015 . . . . . A 14 GLN HB3 . 25790 1 152 . 1 1 14 14 GLN HG2 H 1 2.276 0.015 . . . . . A 14 GLN HG2 . 25790 1 153 . 1 1 14 14 GLN HG3 H 1 2.417 0.015 . . . . . A 14 GLN HG3 . 25790 1 154 . 1 1 14 14 GLN HE21 H 1 7.522 0.015 . . . . . A 14 GLN HE21 . 25790 1 155 . 1 1 14 14 GLN HE22 H 1 6.675 0.015 . . . . . A 14 GLN HE22 . 25790 1 156 . 1 1 14 14 GLN C C 13 178.208 0.150 . . . . . A 14 GLN C . 25790 1 157 . 1 1 14 14 GLN CA C 13 57.749 0.150 . . . . . A 14 GLN CA . 25790 1 158 . 1 1 14 14 GLN CB C 13 28.700 0.150 . . . . . A 14 GLN CB . 25790 1 159 . 1 1 14 14 GLN CG C 13 33.813 0.150 . . . . . A 14 GLN CG . 25790 1 160 . 1 1 14 14 GLN N N 15 119.954 0.150 . . . . . A 14 GLN N . 25790 1 161 . 1 1 14 14 GLN NE2 N 15 110.291 0.150 . . . . . A 14 GLN NE2 . 25790 1 162 . 1 1 15 15 THR H H 1 7.741 0.015 . . . . . A 15 THR H . 25790 1 163 . 1 1 15 15 THR HA H 1 3.899 0.015 . . . . . A 15 THR HA . 25790 1 164 . 1 1 15 15 THR HB H 1 2.503 0.015 . . . . . A 15 THR HB . 25790 1 165 . 1 1 15 15 THR HG1 H 1 5.703 0.015 . . . . . A 15 THR HG1 . 25790 1 166 . 1 1 15 15 THR HG21 H 1 0.380 0.015 . . . . . A 15 THR HG21 . 25790 1 167 . 1 1 15 15 THR HG22 H 1 0.380 0.015 . . . . . A 15 THR HG22 . 25790 1 168 . 1 1 15 15 THR HG23 H 1 0.380 0.015 . . . . . A 15 THR HG23 . 25790 1 169 . 1 1 15 15 THR C C 13 174.683 0.150 . . . . . A 15 THR C . 25790 1 170 . 1 1 15 15 THR CA C 13 61.551 0.150 . . . . . A 15 THR CA . 25790 1 171 . 1 1 15 15 THR CB C 13 69.226 0.150 . . . . . A 15 THR CB . 25790 1 172 . 1 1 15 15 THR CG2 C 13 21.944 0.150 . . . . . A 15 THR CG2 . 25790 1 173 . 1 1 15 15 THR N N 15 107.493 0.150 . . . . . A 15 THR N . 25790 1 174 . 1 1 16 16 ALA H H 1 6.873 0.015 . . . . . A 16 ALA H . 25790 1 175 . 1 1 16 16 ALA HA H 1 4.135 0.015 . . . . . A 16 ALA HA . 25790 1 176 . 1 1 16 16 ALA HB1 H 1 1.519 0.015 . . . . . A 16 ALA HB1 . 25790 1 177 . 1 1 16 16 ALA HB2 H 1 1.519 0.015 . . . . . A 16 ALA HB2 . 25790 1 178 . 1 1 16 16 ALA HB3 H 1 1.519 0.015 . . . . . A 16 ALA HB3 . 25790 1 179 . 1 1 16 16 ALA C C 13 179.899 0.150 . . . . . A 16 ALA C . 25790 1 180 . 1 1 16 16 ALA CA C 13 56.207 0.150 . . . . . A 16 ALA CA . 25790 1 181 . 1 1 16 16 ALA CB C 13 18.724 0.150 . . . . . A 16 ALA CB . 25790 1 182 . 1 1 16 16 ALA N N 15 124.034 0.150 . . . . . A 16 ALA N . 25790 1 183 . 1 1 17 17 VAL H H 1 8.162 0.015 . . . . . A 17 VAL H . 25790 1 184 . 1 1 17 17 VAL HA H 1 3.714 0.015 . . . . . A 17 VAL HA . 25790 1 185 . 1 1 17 17 VAL HB H 1 1.978 0.015 . . . . . A 17 VAL HB . 25790 1 186 . 1 1 17 17 VAL HG11 H 1 1.048 0.015 . . . . . A 17 VAL HG11 . 25790 1 187 . 1 1 17 17 VAL HG12 H 1 1.048 0.015 . . . . . A 17 VAL HG12 . 25790 1 188 . 1 1 17 17 VAL HG13 H 1 1.048 0.015 . . . . . A 17 VAL HG13 . 25790 1 189 . 1 1 17 17 VAL HG21 H 1 0.897 0.015 . . . . . A 17 VAL HG21 . 25790 1 190 . 1 1 17 17 VAL HG22 H 1 0.897 0.015 . . . . . A 17 VAL HG22 . 25790 1 191 . 1 1 17 17 VAL HG23 H 1 0.897 0.015 . . . . . A 17 VAL HG23 . 25790 1 192 . 1 1 17 17 VAL C C 13 178.537 0.150 . . . . . A 17 VAL C . 25790 1 193 . 1 1 17 17 VAL CA C 13 66.508 0.150 . . . . . A 17 VAL CA . 25790 1 194 . 1 1 17 17 VAL CB C 13 31.693 0.150 . . . . . A 17 VAL CB . 25790 1 195 . 1 1 17 17 VAL CG1 C 13 22.530 0.150 . . . . . A 17 VAL CG1 . 25790 1 196 . 1 1 17 17 VAL CG2 C 13 20.919 0.150 . . . . . A 17 VAL CG2 . 25790 1 197 . 1 1 17 17 VAL N N 15 117.150 0.150 . . . . . A 17 VAL N . 25790 1 198 . 1 1 18 18 GLN H H 1 8.451 0.015 . . . . . A 18 GLN H . 25790 1 199 . 1 1 18 18 GLN HA H 1 4.057 0.015 . . . . . A 18 GLN HA . 25790 1 200 . 1 1 18 18 GLN HB2 H 1 1.759 0.015 . . . . . A 18 GLN HB2 . 25790 1 201 . 1 1 18 18 GLN HB3 H 1 1.849 0.015 . . . . . A 18 GLN HB3 . 25790 1 202 . 1 1 18 18 GLN HG2 H 1 2.365 0.015 . . . . . A 18 GLN HG2 . 25790 1 203 . 1 1 18 18 GLN HG3 H 1 2.328 0.015 . . . . . A 18 GLN HG3 . 25790 1 204 . 1 1 18 18 GLN HE21 H 1 7.426 0.015 . . . . . A 18 GLN HE21 . 25790 1 205 . 1 1 18 18 GLN HE22 H 1 6.937 0.015 . . . . . A 18 GLN HE22 . 25790 1 206 . 1 1 18 18 GLN C C 13 180.429 0.150 . . . . . A 18 GLN C . 25790 1 207 . 1 1 18 18 GLN CA C 13 59.699 0.150 . . . . . A 18 GLN CA . 25790 1 208 . 1 1 18 18 GLN CB C 13 29.186 0.150 . . . . . A 18 GLN CB . 25790 1 209 . 1 1 18 18 GLN CG C 13 35.136 0.150 . . . . . A 18 GLN CG . 25790 1 210 . 1 1 18 18 GLN N N 15 119.489 0.150 . . . . . A 18 GLN N . 25790 1 211 . 1 1 18 18 GLN NE2 N 15 111.475 0.150 . . . . . A 18 GLN NE2 . 25790 1 212 . 1 1 19 19 PHE H H 1 8.924 0.015 . . . . . A 19 PHE H . 25790 1 213 . 1 1 19 19 PHE HA H 1 4.830 0.015 . . . . . A 19 PHE HA . 25790 1 214 . 1 1 19 19 PHE HB2 H 1 3.430 0.015 . . . . . A 19 PHE HB2 . 25790 1 215 . 1 1 19 19 PHE HB3 H 1 3.143 0.015 . . . . . A 19 PHE HB3 . 25790 1 216 . 1 1 19 19 PHE HD1 H 1 6.945 0.015 . . . . . A 19 PHE HD1 . 25790 1 217 . 1 1 19 19 PHE HD2 H 1 6.945 0.015 . . . . . A 19 PHE HD2 . 25790 1 218 . 1 1 19 19 PHE HE1 H 1 7.318 0.015 . . . . . A 19 PHE HE1 . 25790 1 219 . 1 1 19 19 PHE HE2 H 1 7.318 0.015 . . . . . A 19 PHE HE2 . 25790 1 220 . 1 1 19 19 PHE HZ H 1 6.765 0.015 . . . . . A 19 PHE HZ . 25790 1 221 . 1 1 19 19 PHE C C 13 177.858 0.150 . . . . . A 19 PHE C . 25790 1 222 . 1 1 19 19 PHE CA C 13 57.029 0.150 . . . . . A 19 PHE CA . 25790 1 223 . 1 1 19 19 PHE CB C 13 35.905 0.150 . . . . . A 19 PHE CB . 25790 1 224 . 1 1 19 19 PHE CD1 C 13 128.818 0.150 . . . . . A 19 PHE CD1 . 25790 1 225 . 1 1 19 19 PHE CE1 C 13 132.077 0.150 . . . . . A 19 PHE CE1 . 25790 1 226 . 1 1 19 19 PHE CZ C 13 128.423 0.150 . . . . . A 19 PHE CZ . 25790 1 227 . 1 1 19 19 PHE N N 15 117.940 0.150 . . . . . A 19 PHE N . 25790 1 228 . 1 1 20 20 GLN H H 1 8.264 0.015 . . . . . A 20 GLN H . 25790 1 229 . 1 1 20 20 GLN HA H 1 4.106 0.015 . . . . . A 20 GLN HA . 25790 1 230 . 1 1 20 20 GLN HB2 H 1 2.336 0.015 . . . . . A 20 GLN HB2 . 25790 1 231 . 1 1 20 20 GLN HB3 H 1 2.258 0.015 . . . . . A 20 GLN HB3 . 25790 1 232 . 1 1 20 20 GLN HG2 H 1 2.606 0.015 . . . . . A 20 GLN HG2 . 25790 1 233 . 1 1 20 20 GLN HG3 H 1 2.503 0.015 . . . . . A 20 GLN HG3 . 25790 1 234 . 1 1 20 20 GLN HE21 H 1 7.388 0.015 . . . . . A 20 GLN HE21 . 25790 1 235 . 1 1 20 20 GLN HE22 H 1 6.787 0.015 . . . . . A 20 GLN HE22 . 25790 1 236 . 1 1 20 20 GLN C C 13 178.986 0.150 . . . . . A 20 GLN C . 25790 1 237 . 1 1 20 20 GLN CA C 13 59.563 0.150 . . . . . A 20 GLN CA . 25790 1 238 . 1 1 20 20 GLN CB C 13 27.895 0.150 . . . . . A 20 GLN CB . 25790 1 239 . 1 1 20 20 GLN CG C 13 34.196 0.150 . . . . . A 20 GLN CG . 25790 1 240 . 1 1 20 20 GLN N N 15 120.297 0.150 . . . . . A 20 GLN N . 25790 1 241 . 1 1 20 20 GLN NE2 N 15 110.955 0.150 . . . . . A 20 GLN NE2 . 25790 1 242 . 1 1 21 21 GLN H H 1 8.527 0.015 . . . . . A 21 GLN H . 25790 1 243 . 1 1 21 21 GLN HA H 1 4.082 0.015 . . . . . A 21 GLN HA . 25790 1 244 . 1 1 21 21 GLN HB2 H 1 2.237 0.015 . . . . . A 21 GLN HB2 . 25790 1 245 . 1 1 21 21 GLN HB3 H 1 2.121 0.015 . . . . . A 21 GLN HB3 . 25790 1 246 . 1 1 21 21 GLN HG2 H 1 2.646 0.015 . . . . . A 21 GLN HG2 . 25790 1 247 . 1 1 21 21 GLN HG3 H 1 2.404 0.015 . . . . . A 21 GLN HG3 . 25790 1 248 . 1 1 21 21 GLN HE21 H 1 7.467 0.015 . . . . . A 21 GLN HE21 . 25790 1 249 . 1 1 21 21 GLN HE22 H 1 6.799 0.015 . . . . . A 21 GLN HE22 . 25790 1 250 . 1 1 21 21 GLN C C 13 178.806 0.150 . . . . . A 21 GLN C . 25790 1 251 . 1 1 21 21 GLN CA C 13 59.170 0.150 . . . . . A 21 GLN CA . 25790 1 252 . 1 1 21 21 GLN CB C 13 28.196 0.150 . . . . . A 21 GLN CB . 25790 1 253 . 1 1 21 21 GLN CG C 13 34.239 0.150 . . . . . A 21 GLN CG . 25790 1 254 . 1 1 21 21 GLN N N 15 118.595 0.150 . . . . . A 21 GLN N . 25790 1 255 . 1 1 21 21 GLN NE2 N 15 111.478 0.150 . . . . . A 21 GLN NE2 . 25790 1 256 . 1 1 22 22 TYR H H 1 7.843 0.015 . . . . . A 22 TYR H . 25790 1 257 . 1 1 22 22 TYR HA H 1 4.247 0.015 . . . . . A 22 TYR HA . 25790 1 258 . 1 1 22 22 TYR HB2 H 1 3.330 0.015 . . . . . A 22 TYR HB2 . 25790 1 259 . 1 1 22 22 TYR HB3 H 1 2.865 0.015 . . . . . A 22 TYR HB3 . 25790 1 260 . 1 1 22 22 TYR HD1 H 1 6.958 0.015 . . . . . A 22 TYR HD1 . 25790 1 261 . 1 1 22 22 TYR HD2 H 1 6.958 0.015 . . . . . A 22 TYR HD2 . 25790 1 262 . 1 1 22 22 TYR HE1 H 1 6.649 0.015 . . . . . A 22 TYR HE1 . 25790 1 263 . 1 1 22 22 TYR HE2 H 1 6.649 0.015 . . . . . A 22 TYR HE2 . 25790 1 264 . 1 1 22 22 TYR C C 13 177.789 0.150 . . . . . A 22 TYR C . 25790 1 265 . 1 1 22 22 TYR CA C 13 61.712 0.150 . . . . . A 22 TYR CA . 25790 1 266 . 1 1 22 22 TYR CB C 13 38.724 0.150 . . . . . A 22 TYR CB . 25790 1 267 . 1 1 22 22 TYR CD1 C 13 132.543 0.150 . . . . . A 22 TYR CD1 . 25790 1 268 . 1 1 22 22 TYR CE1 C 13 118.175 0.150 . . . . . A 22 TYR CE1 . 25790 1 269 . 1 1 22 22 TYR N N 15 119.594 0.150 . . . . . A 22 TYR N . 25790 1 270 . 1 1 23 23 ALA H H 1 8.612 0.015 . . . . . A 23 ALA H . 25790 1 271 . 1 1 23 23 ALA HA H 1 3.857 0.015 . . . . . A 23 ALA HA . 25790 1 272 . 1 1 23 23 ALA HB1 H 1 1.556 0.015 . . . . . A 23 ALA HB1 . 25790 1 273 . 1 1 23 23 ALA HB2 H 1 1.556 0.015 . . . . . A 23 ALA HB2 . 25790 1 274 . 1 1 23 23 ALA HB3 H 1 1.556 0.015 . . . . . A 23 ALA HB3 . 25790 1 275 . 1 1 23 23 ALA C C 13 179.319 0.150 . . . . . A 23 ALA C . 25790 1 276 . 1 1 23 23 ALA CA C 13 55.589 0.150 . . . . . A 23 ALA CA . 25790 1 277 . 1 1 23 23 ALA CB C 13 18.482 0.150 . . . . . A 23 ALA CB . 25790 1 278 . 1 1 23 23 ALA N N 15 120.663 0.150 . . . . . A 23 ALA N . 25790 1 279 . 1 1 24 24 ALA H H 1 8.168 0.015 . . . . . A 24 ALA H . 25790 1 280 . 1 1 24 24 ALA HA H 1 3.938 0.015 . . . . . A 24 ALA HA . 25790 1 281 . 1 1 24 24 ALA HB1 H 1 1.449 0.015 . . . . . A 24 ALA HB1 . 25790 1 282 . 1 1 24 24 ALA HB2 H 1 1.449 0.015 . . . . . A 24 ALA HB2 . 25790 1 283 . 1 1 24 24 ALA HB3 H 1 1.449 0.015 . . . . . A 24 ALA HB3 . 25790 1 284 . 1 1 24 24 ALA C C 13 178.987 0.150 . . . . . A 24 ALA C . 25790 1 285 . 1 1 24 24 ALA CA C 13 54.317 0.150 . . . . . A 24 ALA CA . 25790 1 286 . 1 1 24 24 ALA CB C 13 17.891 0.150 . . . . . A 24 ALA CB . 25790 1 287 . 1 1 24 24 ALA N N 15 119.002 0.150 . . . . . A 24 ALA N . 25790 1 288 . 1 1 25 25 GLN H H 1 7.300 0.015 . . . . . A 25 GLN H . 25790 1 289 . 1 1 25 25 GLN HA H 1 4.004 0.015 . . . . . A 25 GLN HA . 25790 1 290 . 1 1 25 25 GLN HB2 H 1 2.123 0.015 . . . . . A 25 GLN HB2 . 25790 1 291 . 1 1 25 25 GLN HB3 H 1 2.026 0.015 . . . . . A 25 GLN HB3 . 25790 1 292 . 1 1 25 25 GLN HG2 H 1 2.474 0.015 . . . . . A 25 GLN HG2 . 25790 1 293 . 1 1 25 25 GLN HG3 H 1 2.285 0.015 . . . . . A 25 GLN HG3 . 25790 1 294 . 1 1 25 25 GLN C C 13 177.818 0.150 . . . . . A 25 GLN C . 25790 1 295 . 1 1 25 25 GLN CA C 13 57.454 0.150 . . . . . A 25 GLN CA . 25790 1 296 . 1 1 25 25 GLN CB C 13 28.455 0.150 . . . . . A 25 GLN CB . 25790 1 297 . 1 1 25 25 GLN CG C 13 33.896 0.150 . . . . . A 25 GLN CG . 25790 1 298 . 1 1 25 25 GLN N N 15 115.599 0.150 . . . . . A 25 GLN N . 25790 1 299 . 1 1 26 26 GLN H H 1 7.401 0.015 . . . . . A 26 GLN H . 25790 1 300 . 1 1 26 26 GLN HA H 1 3.704 0.015 . . . . . A 26 GLN HA . 25790 1 301 . 1 1 26 26 GLN HB2 H 1 1.364 0.015 . . . . . A 26 GLN HB2 . 25790 1 302 . 1 1 26 26 GLN HB3 H 1 1.235 0.015 . . . . . A 26 GLN HB3 . 25790 1 303 . 1 1 26 26 GLN HG2 H 1 1.528 0.015 . . . . . A 26 GLN HG2 . 25790 1 304 . 1 1 26 26 GLN HG3 H 1 1.372 0.015 . . . . . A 26 GLN HG3 . 25790 1 305 . 1 1 26 26 GLN HE21 H 1 6.378 0.015 . . . . . A 26 GLN HE21 . 25790 1 306 . 1 1 26 26 GLN HE22 H 1 6.665 0.015 . . . . . A 26 GLN HE22 . 25790 1 307 . 1 1 26 26 GLN C C 13 175.979 0.150 . . . . . A 26 GLN C . 25790 1 308 . 1 1 26 26 GLN CA C 13 56.788 0.150 . . . . . A 26 GLN CA . 25790 1 309 . 1 1 26 26 GLN CB C 13 29.080 0.150 . . . . . A 26 GLN CB . 25790 1 310 . 1 1 26 26 GLN CG C 13 33.102 0.150 . . . . . A 26 GLN CG . 25790 1 311 . 1 1 26 26 GLN N N 15 116.989 0.150 . . . . . A 26 GLN N . 25790 1 312 . 1 1 26 26 GLN NE2 N 15 113.001 0.150 . . . . . A 26 GLN NE2 . 25790 1 313 . 1 1 27 27 TYR H H 1 7.675 0.015 . . . . . A 27 TYR H . 25790 1 314 . 1 1 27 27 TYR HA H 1 5.078 0.015 . . . . . A 27 TYR HA . 25790 1 315 . 1 1 27 27 TYR HB2 H 1 2.616 0.015 . . . . . A 27 TYR HB2 . 25790 1 316 . 1 1 27 27 TYR HB3 H 1 3.219 0.015 . . . . . A 27 TYR HB3 . 25790 1 317 . 1 1 27 27 TYR HD1 H 1 6.932 0.015 . . . . . A 27 TYR HD1 . 25790 1 318 . 1 1 27 27 TYR HD2 H 1 6.932 0.015 . . . . . A 27 TYR HD2 . 25790 1 319 . 1 1 27 27 TYR HE1 H 1 6.788 0.015 . . . . . A 27 TYR HE1 . 25790 1 320 . 1 1 27 27 TYR HE2 H 1 6.788 0.015 . . . . . A 27 TYR HE2 . 25790 1 321 . 1 1 27 27 TYR C C 13 172.931 0.150 . . . . . A 27 TYR C . 25790 1 322 . 1 1 27 27 TYR CA C 13 55.167 0.150 . . . . . A 27 TYR CA . 25790 1 323 . 1 1 27 27 TYR CB C 13 39.660 0.150 . . . . . A 27 TYR CB . 25790 1 324 . 1 1 27 27 TYR CD1 C 13 133.272 0.150 . . . . . A 27 TYR CD1 . 25790 1 325 . 1 1 27 27 TYR CE1 C 13 118.291 0.150 . . . . . A 27 TYR CE1 . 25790 1 326 . 1 1 27 27 TYR N N 15 114.712 0.150 . . . . . A 27 TYR N . 25790 1 327 . 1 1 28 28 PRO HA H 1 4.362 0.015 . . . . . A 28 PRO HA . 25790 1 328 . 1 1 28 28 PRO HB2 H 1 2.285 0.015 . . . . . A 28 PRO HB2 . 25790 1 329 . 1 1 28 28 PRO HB3 H 1 1.939 0.015 . . . . . A 28 PRO HB3 . 25790 1 330 . 1 1 28 28 PRO HG2 H 1 1.999 0.015 . . . . . A 28 PRO HG2 . 25790 1 331 . 1 1 28 28 PRO HG3 H 1 1.999 0.015 . . . . . A 28 PRO HG3 . 25790 1 332 . 1 1 28 28 PRO HD2 H 1 3.414 0.015 . . . . . A 28 PRO HD2 . 25790 1 333 . 1 1 28 28 PRO HD3 H 1 3.217 0.015 . . . . . A 28 PRO HD3 . 25790 1 334 . 1 1 28 28 PRO C C 13 179.333 0.150 . . . . . A 28 PRO C . 25790 1 335 . 1 1 28 28 PRO CA C 13 64.394 0.150 . . . . . A 28 PRO CA . 25790 1 336 . 1 1 28 28 PRO CB C 13 31.254 0.150 . . . . . A 28 PRO CB . 25790 1 337 . 1 1 28 28 PRO CG C 13 27.691 0.150 . . . . . A 28 PRO CG . 25790 1 338 . 1 1 28 28 PRO CD C 13 50.130 0.150 . . . . . A 28 PRO CD . 25790 1 339 . 1 1 29 29 GLY H H 1 8.826 0.015 . . . . . A 29 GLY H . 25790 1 340 . 1 1 29 29 GLY HA2 H 1 4.014 0.015 . . . . . A 29 GLY HA2 . 25790 1 341 . 1 1 29 29 GLY HA3 H 1 3.861 0.015 . . . . . A 29 GLY HA3 . 25790 1 342 . 1 1 29 29 GLY C C 13 173.218 0.150 . . . . . A 29 GLY C . 25790 1 343 . 1 1 29 29 GLY CA C 13 45.912 0.150 . . . . . A 29 GLY CA . 25790 1 344 . 1 1 29 29 GLY N N 15 110.091 0.150 . . . . . A 29 GLY N . 25790 1 345 . 1 1 30 30 ASN H H 1 7.293 0.015 . . . . . A 30 ASN H . 25790 1 346 . 1 1 30 30 ASN HA H 1 4.999 0.015 . . . . . A 30 ASN HA . 25790 1 347 . 1 1 30 30 ASN HB2 H 1 2.464 0.015 . . . . . A 30 ASN HB2 . 25790 1 348 . 1 1 30 30 ASN HB3 H 1 3.095 0.015 . . . . . A 30 ASN HB3 . 25790 1 349 . 1 1 30 30 ASN HD21 H 1 7.824 0.015 . . . . . A 30 ASN HD21 . 25790 1 350 . 1 1 30 30 ASN HD22 H 1 6.974 0.015 . . . . . A 30 ASN HD22 . 25790 1 351 . 1 1 30 30 ASN C C 13 173.977 0.150 . . . . . A 30 ASN C . 25790 1 352 . 1 1 30 30 ASN CA C 13 51.185 0.150 . . . . . A 30 ASN CA . 25790 1 353 . 1 1 30 30 ASN CB C 13 38.426 0.150 . . . . . A 30 ASN CB . 25790 1 354 . 1 1 30 30 ASN N N 15 118.603 0.150 . . . . . A 30 ASN N . 25790 1 355 . 1 1 30 30 ASN ND2 N 15 112.728 0.150 . . . . . A 30 ASN ND2 . 25790 1 356 . 1 1 31 31 TYR H H 1 8.509 0.015 . . . . . A 31 TYR H . 25790 1 357 . 1 1 31 31 TYR HA H 1 3.898 0.015 . . . . . A 31 TYR HA . 25790 1 358 . 1 1 31 31 TYR HB2 H 1 2.981 0.015 . . . . . A 31 TYR HB2 . 25790 1 359 . 1 1 31 31 TYR HB3 H 1 3.118 0.015 . . . . . A 31 TYR HB3 . 25790 1 360 . 1 1 31 31 TYR HD1 H 1 7.097 0.015 . . . . . A 31 TYR HD1 . 25790 1 361 . 1 1 31 31 TYR HD2 H 1 7.097 0.015 . . . . . A 31 TYR HD2 . 25790 1 362 . 1 1 31 31 TYR HE1 H 1 6.830 0.015 . . . . . A 31 TYR HE1 . 25790 1 363 . 1 1 31 31 TYR HE2 H 1 6.830 0.015 . . . . . A 31 TYR HE2 . 25790 1 364 . 1 1 31 31 TYR C C 13 177.343 0.150 . . . . . A 31 TYR C . 25790 1 365 . 1 1 31 31 TYR CA C 13 61.811 0.150 . . . . . A 31 TYR CA . 25790 1 366 . 1 1 31 31 TYR CB C 13 38.357 0.150 . . . . . A 31 TYR CB . 25790 1 367 . 1 1 31 31 TYR CD2 C 13 133.134 0.150 . . . . . A 31 TYR CD2 . 25790 1 368 . 1 1 31 31 TYR CE2 C 13 118.383 0.150 . . . . . A 31 TYR CE2 . 25790 1 369 . 1 1 31 31 TYR N N 15 125.240 0.150 . . . . . A 31 TYR N . 25790 1 370 . 1 1 32 32 GLU H H 1 8.714 0.015 . . . . . A 32 GLU H . 25790 1 371 . 1 1 32 32 GLU HA H 1 3.900 0.015 . . . . . A 32 GLU HA . 25790 1 372 . 1 1 32 32 GLU HB2 H 1 2.016 0.015 . . . . . A 32 GLU HB2 . 25790 1 373 . 1 1 32 32 GLU HB3 H 1 2.158 0.015 . . . . . A 32 GLU HB3 . 25790 1 374 . 1 1 32 32 GLU HG2 H 1 2.311 0.015 . . . . . A 32 GLU HG2 . 25790 1 375 . 1 1 32 32 GLU HG3 H 1 2.311 0.015 . . . . . A 32 GLU HG3 . 25790 1 376 . 1 1 32 32 GLU C C 13 179.549 0.150 . . . . . A 32 GLU C . 25790 1 377 . 1 1 32 32 GLU CA C 13 60.112 0.150 . . . . . A 32 GLU CA . 25790 1 378 . 1 1 32 32 GLU CB C 13 29.168 0.150 . . . . . A 32 GLU CB . 25790 1 379 . 1 1 32 32 GLU CG C 13 36.615 0.150 . . . . . A 32 GLU CG . 25790 1 380 . 1 1 32 32 GLU N N 15 118.993 0.150 . . . . . A 32 GLU N . 25790 1 381 . 1 1 33 33 GLN H H 1 7.536 0.015 . . . . . A 33 GLN H . 25790 1 382 . 1 1 33 33 GLN HA H 1 3.733 0.015 . . . . . A 33 GLN HA . 25790 1 383 . 1 1 33 33 GLN HB2 H 1 1.370 0.015 . . . . . A 33 GLN HB2 . 25790 1 384 . 1 1 33 33 GLN HB3 H 1 0.867 0.015 . . . . . A 33 GLN HB3 . 25790 1 385 . 1 1 33 33 GLN HG2 H 1 1.772 0.015 . . . . . A 33 GLN HG2 . 25790 1 386 . 1 1 33 33 GLN HG3 H 1 1.772 0.015 . . . . . A 33 GLN HG3 . 25790 1 387 . 1 1 33 33 GLN HE21 H 1 6.938 0.015 . . . . . A 33 GLN HE21 . 25790 1 388 . 1 1 33 33 GLN HE22 H 1 6.674 0.015 . . . . . A 33 GLN HE22 . 25790 1 389 . 1 1 33 33 GLN C C 13 179.119 0.150 . . . . . A 33 GLN C . 25790 1 390 . 1 1 33 33 GLN CA C 13 57.702 0.150 . . . . . A 33 GLN CA . 25790 1 391 . 1 1 33 33 GLN CB C 13 27.626 0.150 . . . . . A 33 GLN CB . 25790 1 392 . 1 1 33 33 GLN CG C 13 33.036 0.150 . . . . . A 33 GLN CG . 25790 1 393 . 1 1 33 33 GLN N N 15 117.037 0.150 . . . . . A 33 GLN N . 25790 1 394 . 1 1 33 33 GLN NE2 N 15 112.107 0.150 . . . . . A 33 GLN NE2 . 25790 1 395 . 1 1 34 34 GLN H H 1 7.968 0.015 . . . . . A 34 GLN H . 25790 1 396 . 1 1 34 34 GLN HA H 1 3.811 0.015 . . . . . A 34 GLN HA . 25790 1 397 . 1 1 34 34 GLN HB2 H 1 2.303 0.015 . . . . . A 34 GLN HB2 . 25790 1 398 . 1 1 34 34 GLN HB3 H 1 1.922 0.015 . . . . . A 34 GLN HB3 . 25790 1 399 . 1 1 34 34 GLN HG2 H 1 3.080 0.015 . . . . . A 34 GLN HG2 . 25790 1 400 . 1 1 34 34 GLN HG3 H 1 2.218 0.015 . . . . . A 34 GLN HG3 . 25790 1 401 . 1 1 34 34 GLN HE21 H 1 7.764 0.015 . . . . . A 34 GLN HE21 . 25790 1 402 . 1 1 34 34 GLN HE22 H 1 6.969 0.015 . . . . . A 34 GLN HE22 . 25790 1 403 . 1 1 34 34 GLN C C 13 177.634 0.150 . . . . . A 34 GLN C . 25790 1 404 . 1 1 34 34 GLN CA C 13 60.165 0.150 . . . . . A 34 GLN CA . 25790 1 405 . 1 1 34 34 GLN CB C 13 27.501 0.150 . . . . . A 34 GLN CB . 25790 1 406 . 1 1 34 34 GLN CG C 13 33.528 0.150 . . . . . A 34 GLN CG . 25790 1 407 . 1 1 34 34 GLN N N 15 117.723 0.150 . . . . . A 34 GLN N . 25790 1 408 . 1 1 34 34 GLN NE2 N 15 110.314 0.150 . . . . . A 34 GLN NE2 . 25790 1 409 . 1 1 35 35 GLN H H 1 7.870 0.015 . . . . . A 35 GLN H . 25790 1 410 . 1 1 35 35 GLN HA H 1 3.791 0.015 . . . . . A 35 GLN HA . 25790 1 411 . 1 1 35 35 GLN HB2 H 1 2.025 0.015 . . . . . A 35 GLN HB2 . 25790 1 412 . 1 1 35 35 GLN HB3 H 1 2.025 0.015 . . . . . A 35 GLN HB3 . 25790 1 413 . 1 1 35 35 GLN HG2 H 1 2.016 0.015 . . . . . A 35 GLN HG2 . 25790 1 414 . 1 1 35 35 GLN HG3 H 1 2.096 0.015 . . . . . A 35 GLN HG3 . 25790 1 415 . 1 1 35 35 GLN HE21 H 1 6.938 0.015 . . . . . A 35 GLN HE21 . 25790 1 416 . 1 1 35 35 GLN HE22 H 1 6.837 0.015 . . . . . A 35 GLN HE22 . 25790 1 417 . 1 1 35 35 GLN C C 13 178.757 0.150 . . . . . A 35 GLN C . 25790 1 418 . 1 1 35 35 GLN CA C 13 58.610 0.150 . . . . . A 35 GLN CA . 25790 1 419 . 1 1 35 35 GLN CB C 13 28.205 0.150 . . . . . A 35 GLN CB . 25790 1 420 . 1 1 35 35 GLN CG C 13 33.884 0.150 . . . . . A 35 GLN CG . 25790 1 421 . 1 1 35 35 GLN N N 15 115.293 0.150 . . . . . A 35 GLN N . 25790 1 422 . 1 1 35 35 GLN NE2 N 15 114.540 0.150 . . . . . A 35 GLN NE2 . 25790 1 423 . 1 1 36 36 ILE H H 1 7.503 0.015 . . . . . A 36 ILE H . 25790 1 424 . 1 1 36 36 ILE HA H 1 3.564 0.015 . . . . . A 36 ILE HA . 25790 1 425 . 1 1 36 36 ILE HB H 1 1.708 0.015 . . . . . A 36 ILE HB . 25790 1 426 . 1 1 36 36 ILE HG12 H 1 1.014 0.015 . . . . . A 36 ILE HG12 . 25790 1 427 . 1 1 36 36 ILE HG13 H 1 1.693 0.015 . . . . . A 36 ILE HG13 . 25790 1 428 . 1 1 36 36 ILE HG21 H 1 0.844 0.015 . . . . . A 36 ILE HG21 . 25790 1 429 . 1 1 36 36 ILE HG22 H 1 0.844 0.015 . . . . . A 36 ILE HG22 . 25790 1 430 . 1 1 36 36 ILE HG23 H 1 0.844 0.015 . . . . . A 36 ILE HG23 . 25790 1 431 . 1 1 36 36 ILE HD11 H 1 0.751 0.015 . . . . . A 36 ILE HD11 . 25790 1 432 . 1 1 36 36 ILE HD12 H 1 0.751 0.015 . . . . . A 36 ILE HD12 . 25790 1 433 . 1 1 36 36 ILE HD13 H 1 0.751 0.015 . . . . . A 36 ILE HD13 . 25790 1 434 . 1 1 36 36 ILE C C 13 178.273 0.150 . . . . . A 36 ILE C . 25790 1 435 . 1 1 36 36 ILE CA C 13 65.236 0.150 . . . . . A 36 ILE CA . 25790 1 436 . 1 1 36 36 ILE CB C 13 38.373 0.150 . . . . . A 36 ILE CB . 25790 1 437 . 1 1 36 36 ILE CG1 C 13 29.305 0.150 . . . . . A 36 ILE CG1 . 25790 1 438 . 1 1 36 36 ILE CG2 C 13 16.883 0.150 . . . . . A 36 ILE CG2 . 25790 1 439 . 1 1 36 36 ILE CD1 C 13 13.355 0.150 . . . . . A 36 ILE CD1 . 25790 1 440 . 1 1 36 36 ILE N N 15 120.769 0.150 . . . . . A 36 ILE N . 25790 1 441 . 1 1 37 37 LEU H H 1 7.678 0.015 . . . . . A 37 LEU H . 25790 1 442 . 1 1 37 37 LEU HA H 1 4.309 0.015 . . . . . A 37 LEU HA . 25790 1 443 . 1 1 37 37 LEU HB2 H 1 2.111 0.015 . . . . . A 37 LEU HB2 . 25790 1 444 . 1 1 37 37 LEU HB3 H 1 1.787 0.015 . . . . . A 37 LEU HB3 . 25790 1 445 . 1 1 37 37 LEU HG H 1 1.622 0.015 . . . . . A 37 LEU HG . 25790 1 446 . 1 1 37 37 LEU HD11 H 1 1.100 0.015 . . . . . A 37 LEU HD11 . 25790 1 447 . 1 1 37 37 LEU HD12 H 1 1.100 0.015 . . . . . A 37 LEU HD12 . 25790 1 448 . 1 1 37 37 LEU HD13 H 1 1.100 0.015 . . . . . A 37 LEU HD13 . 25790 1 449 . 1 1 37 37 LEU HD21 H 1 1.157 0.015 . . . . . A 37 LEU HD21 . 25790 1 450 . 1 1 37 37 LEU HD22 H 1 1.157 0.015 . . . . . A 37 LEU HD22 . 25790 1 451 . 1 1 37 37 LEU HD23 H 1 1.157 0.015 . . . . . A 37 LEU HD23 . 25790 1 452 . 1 1 37 37 LEU C C 13 178.348 0.150 . . . . . A 37 LEU C . 25790 1 453 . 1 1 37 37 LEU CA C 13 57.734 0.150 . . . . . A 37 LEU CA . 25790 1 454 . 1 1 37 37 LEU CB C 13 41.516 0.150 . . . . . A 37 LEU CB . 25790 1 455 . 1 1 37 37 LEU CG C 13 27.552 0.150 . . . . . A 37 LEU CG . 25790 1 456 . 1 1 37 37 LEU CD1 C 13 26.765 0.150 . . . . . A 37 LEU CD1 . 25790 1 457 . 1 1 37 37 LEU CD2 C 13 22.803 0.150 . . . . . A 37 LEU CD2 . 25790 1 458 . 1 1 37 37 LEU N N 15 121.056 0.150 . . . . . A 37 LEU N . 25790 1 459 . 1 1 38 38 ILE H H 1 8.702 0.015 . . . . . A 38 ILE H . 25790 1 460 . 1 1 38 38 ILE HA H 1 3.341 0.015 . . . . . A 38 ILE HA . 25790 1 461 . 1 1 38 38 ILE HB H 1 1.745 0.015 . . . . . A 38 ILE HB . 25790 1 462 . 1 1 38 38 ILE HG12 H 1 1.858 0.015 . . . . . A 38 ILE HG12 . 25790 1 463 . 1 1 38 38 ILE HG13 H 1 0.687 0.015 . . . . . A 38 ILE HG13 . 25790 1 464 . 1 1 38 38 ILE HG21 H 1 0.925 0.015 . . . . . A 38 ILE HG21 . 25790 1 465 . 1 1 38 38 ILE HG22 H 1 0.925 0.015 . . . . . A 38 ILE HG22 . 25790 1 466 . 1 1 38 38 ILE HG23 H 1 0.925 0.015 . . . . . A 38 ILE HG23 . 25790 1 467 . 1 1 38 38 ILE HD11 H 1 0.877 0.015 . . . . . A 38 ILE HD11 . 25790 1 468 . 1 1 38 38 ILE HD12 H 1 0.877 0.015 . . . . . A 38 ILE HD12 . 25790 1 469 . 1 1 38 38 ILE HD13 H 1 0.877 0.015 . . . . . A 38 ILE HD13 . 25790 1 470 . 1 1 38 38 ILE C C 13 177.371 0.150 . . . . . A 38 ILE C . 25790 1 471 . 1 1 38 38 ILE CA C 13 67.085 0.150 . . . . . A 38 ILE CA . 25790 1 472 . 1 1 38 38 ILE CB C 13 38.349 0.150 . . . . . A 38 ILE CB . 25790 1 473 . 1 1 38 38 ILE CG1 C 13 30.736 0.150 . . . . . A 38 ILE CG1 . 25790 1 474 . 1 1 38 38 ILE CG2 C 13 17.330 0.150 . . . . . A 38 ILE CG2 . 25790 1 475 . 1 1 38 38 ILE CD1 C 13 14.241 0.150 . . . . . A 38 ILE CD1 . 25790 1 476 . 1 1 38 38 ILE N N 15 119.334 0.150 . . . . . A 38 ILE N . 25790 1 477 . 1 1 39 39 ARG H H 1 7.739 0.015 . . . . . A 39 ARG H . 25790 1 478 . 1 1 39 39 ARG HA H 1 4.215 0.015 . . . . . A 39 ARG HA . 25790 1 479 . 1 1 39 39 ARG HB2 H 1 1.944 0.015 . . . . . A 39 ARG HB2 . 25790 1 480 . 1 1 39 39 ARG HB3 H 1 1.944 0.015 . . . . . A 39 ARG HB3 . 25790 1 481 . 1 1 39 39 ARG HG2 H 1 1.839 0.015 . . . . . A 39 ARG HG2 . 25790 1 482 . 1 1 39 39 ARG HG3 H 1 1.700 0.015 . . . . . A 39 ARG HG3 . 25790 1 483 . 1 1 39 39 ARG HD2 H 1 3.222 0.015 . . . . . A 39 ARG HD2 . 25790 1 484 . 1 1 39 39 ARG HD3 H 1 3.260 0.015 . . . . . A 39 ARG HD3 . 25790 1 485 . 1 1 39 39 ARG C C 13 179.555 0.150 . . . . . A 39 ARG C . 25790 1 486 . 1 1 39 39 ARG CA C 13 59.459 0.150 . . . . . A 39 ARG CA . 25790 1 487 . 1 1 39 39 ARG CB C 13 29.752 0.150 . . . . . A 39 ARG CB . 25790 1 488 . 1 1 39 39 ARG CG C 13 27.795 0.150 . . . . . A 39 ARG CG . 25790 1 489 . 1 1 39 39 ARG CD C 13 43.535 0.150 . . . . . A 39 ARG CD . 25790 1 490 . 1 1 39 39 ARG N N 15 117.798 0.150 . . . . . A 39 ARG N . 25790 1 491 . 1 1 40 40 GLN H H 1 7.811 0.015 . . . . . A 40 GLN H . 25790 1 492 . 1 1 40 40 GLN HA H 1 4.137 0.015 . . . . . A 40 GLN HA . 25790 1 493 . 1 1 40 40 GLN HB2 H 1 2.426 0.015 . . . . . A 40 GLN HB2 . 25790 1 494 . 1 1 40 40 GLN HB3 H 1 2.124 0.015 . . . . . A 40 GLN HB3 . 25790 1 495 . 1 1 40 40 GLN HG2 H 1 2.627 0.015 . . . . . A 40 GLN HG2 . 25790 1 496 . 1 1 40 40 GLN HG3 H 1 2.341 0.015 . . . . . A 40 GLN HG3 . 25790 1 497 . 1 1 40 40 GLN HE21 H 1 7.284 0.015 . . . . . A 40 GLN HE21 . 25790 1 498 . 1 1 40 40 GLN HE22 H 1 6.706 0.015 . . . . . A 40 GLN HE22 . 25790 1 499 . 1 1 40 40 GLN C C 13 179.522 0.150 . . . . . A 40 GLN C . 25790 1 500 . 1 1 40 40 GLN CA C 13 59.260 0.150 . . . . . A 40 GLN CA . 25790 1 501 . 1 1 40 40 GLN CB C 13 28.358 0.150 . . . . . A 40 GLN CB . 25790 1 502 . 1 1 40 40 GLN CG C 13 33.888 0.150 . . . . . A 40 GLN CG . 25790 1 503 . 1 1 40 40 GLN N N 15 119.432 0.150 . . . . . A 40 GLN N . 25790 1 504 . 1 1 40 40 GLN NE2 N 15 110.195 0.150 . . . . . A 40 GLN NE2 . 25790 1 505 . 1 1 41 41 LEU H H 1 8.648 0.015 . . . . . A 41 LEU H . 25790 1 506 . 1 1 41 41 LEU HA H 1 3.687 0.015 . . . . . A 41 LEU HA . 25790 1 507 . 1 1 41 41 LEU HB2 H 1 1.312 0.015 . . . . . A 41 LEU HB2 . 25790 1 508 . 1 1 41 41 LEU HB3 H 1 -0.253 0.015 . . . . . A 41 LEU HB3 . 25790 1 509 . 1 1 41 41 LEU HG H 1 1.652 0.015 . . . . . A 41 LEU HG . 25790 1 510 . 1 1 41 41 LEU HD11 H 1 0.459 0.015 . . . . . A 41 LEU HD11 . 25790 1 511 . 1 1 41 41 LEU HD12 H 1 0.459 0.015 . . . . . A 41 LEU HD12 . 25790 1 512 . 1 1 41 41 LEU HD13 H 1 0.459 0.015 . . . . . A 41 LEU HD13 . 25790 1 513 . 1 1 41 41 LEU HD21 H 1 0.422 0.015 . . . . . A 41 LEU HD21 . 25790 1 514 . 1 1 41 41 LEU HD22 H 1 0.422 0.015 . . . . . A 41 LEU HD22 . 25790 1 515 . 1 1 41 41 LEU HD23 H 1 0.422 0.015 . . . . . A 41 LEU HD23 . 25790 1 516 . 1 1 41 41 LEU C C 13 178.974 0.150 . . . . . A 41 LEU C . 25790 1 517 . 1 1 41 41 LEU CA C 13 57.963 0.150 . . . . . A 41 LEU CA . 25790 1 518 . 1 1 41 41 LEU CB C 13 39.852 0.150 . . . . . A 41 LEU CB . 25790 1 519 . 1 1 41 41 LEU CG C 13 25.745 0.150 . . . . . A 41 LEU CG . 25790 1 520 . 1 1 41 41 LEU CD1 C 13 25.653 0.150 . . . . . A 41 LEU CD1 . 25790 1 521 . 1 1 41 41 LEU CD2 C 13 22.456 0.150 . . . . . A 41 LEU CD2 . 25790 1 522 . 1 1 41 41 LEU N N 15 121.592 0.150 . . . . . A 41 LEU N . 25790 1 523 . 1 1 42 42 GLN H H 1 8.641 0.015 . . . . . A 42 GLN H . 25790 1 524 . 1 1 42 42 GLN HA H 1 4.544 0.015 . . . . . A 42 GLN HA . 25790 1 525 . 1 1 42 42 GLN HB2 H 1 2.505 0.015 . . . . . A 42 GLN HB2 . 25790 1 526 . 1 1 42 42 GLN HB3 H 1 2.219 0.015 . . . . . A 42 GLN HB3 . 25790 1 527 . 1 1 42 42 GLN HG2 H 1 2.967 0.015 . . . . . A 42 GLN HG2 . 25790 1 528 . 1 1 42 42 GLN HG3 H 1 2.544 0.015 . . . . . A 42 GLN HG3 . 25790 1 529 . 1 1 42 42 GLN HE21 H 1 8.290 0.015 . . . . . A 42 GLN HE21 . 25790 1 530 . 1 1 42 42 GLN HE22 H 1 6.488 0.015 . . . . . A 42 GLN HE22 . 25790 1 531 . 1 1 42 42 GLN C C 13 180.176 0.150 . . . . . A 42 GLN C . 25790 1 532 . 1 1 42 42 GLN CA C 13 59.234 0.150 . . . . . A 42 GLN CA . 25790 1 533 . 1 1 42 42 GLN CB C 13 27.920 0.150 . . . . . A 42 GLN CB . 25790 1 534 . 1 1 42 42 GLN CG C 13 33.985 0.150 . . . . . A 42 GLN CG . 25790 1 535 . 1 1 42 42 GLN N N 15 119.054 0.150 . . . . . A 42 GLN N . 25790 1 536 . 1 1 42 42 GLN NE2 N 15 110.851 0.150 . . . . . A 42 GLN NE2 . 25790 1 537 . 1 1 43 43 GLU H H 1 8.111 0.015 . . . . . A 43 GLU H . 25790 1 538 . 1 1 43 43 GLU HA H 1 4.236 0.015 . . . . . A 43 GLU HA . 25790 1 539 . 1 1 43 43 GLU HB2 H 1 2.271 0.015 . . . . . A 43 GLU HB2 . 25790 1 540 . 1 1 43 43 GLU HB3 H 1 2.235 0.015 . . . . . A 43 GLU HB3 . 25790 1 541 . 1 1 43 43 GLU HG2 H 1 2.467 0.015 . . . . . A 43 GLU HG2 . 25790 1 542 . 1 1 43 43 GLU HG3 H 1 2.418 0.015 . . . . . A 43 GLU HG3 . 25790 1 543 . 1 1 43 43 GLU C C 13 179.721 0.150 . . . . . A 43 GLU C . 25790 1 544 . 1 1 43 43 GLU CA C 13 59.667 0.150 . . . . . A 43 GLU CA . 25790 1 545 . 1 1 43 43 GLU CB C 13 29.258 0.150 . . . . . A 43 GLU CB . 25790 1 546 . 1 1 43 43 GLU CG C 13 35.956 0.150 . . . . . A 43 GLU CG . 25790 1 547 . 1 1 43 43 GLU N N 15 121.517 0.150 . . . . . A 43 GLU N . 25790 1 548 . 1 1 44 44 GLN H H 1 8.372 0.015 . . . . . A 44 GLN H . 25790 1 549 . 1 1 44 44 GLN HA H 1 4.116 0.015 . . . . . A 44 GLN HA . 25790 1 550 . 1 1 44 44 GLN HB2 H 1 2.185 0.015 . . . . . A 44 GLN HB2 . 25790 1 551 . 1 1 44 44 GLN HB3 H 1 2.253 0.015 . . . . . A 44 GLN HB3 . 25790 1 552 . 1 1 44 44 GLN HG2 H 1 2.627 0.015 . . . . . A 44 GLN HG2 . 25790 1 553 . 1 1 44 44 GLN HG3 H 1 2.464 0.015 . . . . . A 44 GLN HG3 . 25790 1 554 . 1 1 44 44 GLN HE21 H 1 7.276 0.015 . . . . . A 44 GLN HE21 . 25790 1 555 . 1 1 44 44 GLN HE22 H 1 6.478 0.015 . . . . . A 44 GLN HE22 . 25790 1 556 . 1 1 44 44 GLN C C 13 179.012 0.150 . . . . . A 44 GLN C . 25790 1 557 . 1 1 44 44 GLN CA C 13 59.149 0.150 . . . . . A 44 GLN CA . 25790 1 558 . 1 1 44 44 GLN CB C 13 28.854 0.150 . . . . . A 44 GLN CB . 25790 1 559 . 1 1 44 44 GLN CG C 13 34.684 0.150 . . . . . A 44 GLN CG . 25790 1 560 . 1 1 44 44 GLN N N 15 119.240 0.150 . . . . . A 44 GLN N . 25790 1 561 . 1 1 44 44 GLN NE2 N 15 109.531 0.150 . . . . . A 44 GLN NE2 . 25790 1 562 . 1 1 45 45 HIS H H 1 9.472 0.015 . . . . . A 45 HIS H . 25790 1 563 . 1 1 45 45 HIS HA H 1 4.280 0.015 . . . . . A 45 HIS HA . 25790 1 564 . 1 1 45 45 HIS HB2 H 1 3.859 0.015 . . . . . A 45 HIS HB2 . 25790 1 565 . 1 1 45 45 HIS HB3 H 1 3.593 0.015 . . . . . A 45 HIS HB3 . 25790 1 566 . 1 1 45 45 HIS HD2 H 1 6.646 0.015 . . . . . A 45 HIS HD2 . 25790 1 567 . 1 1 45 45 HIS HE1 H 1 7.284 0.015 . . . . . A 45 HIS HE1 . 25790 1 568 . 1 1 45 45 HIS C C 13 176.395 0.150 . . . . . A 45 HIS C . 25790 1 569 . 1 1 45 45 HIS CA C 13 60.359 0.150 . . . . . A 45 HIS CA . 25790 1 570 . 1 1 45 45 HIS CB C 13 32.325 0.150 . . . . . A 45 HIS CB . 25790 1 571 . 1 1 45 45 HIS CD2 C 13 114.858 0.150 . . . . . A 45 HIS CD2 . 25790 1 572 . 1 1 45 45 HIS CE1 C 13 137.827 0.150 . . . . . A 45 HIS CE1 . 25790 1 573 . 1 1 45 45 HIS N N 15 121.705 0.150 . . . . . A 45 HIS N . 25790 1 574 . 1 1 46 46 TYR H H 1 8.253 0.015 . . . . . A 46 TYR H . 25790 1 575 . 1 1 46 46 TYR HA H 1 3.849 0.015 . . . . . A 46 TYR HA . 25790 1 576 . 1 1 46 46 TYR HB2 H 1 3.200 0.015 . . . . . A 46 TYR HB2 . 25790 1 577 . 1 1 46 46 TYR HB3 H 1 3.325 0.015 . . . . . A 46 TYR HB3 . 25790 1 578 . 1 1 46 46 TYR HD1 H 1 6.979 0.015 . . . . . A 46 TYR HD1 . 25790 1 579 . 1 1 46 46 TYR HD2 H 1 6.979 0.015 . . . . . A 46 TYR HD2 . 25790 1 580 . 1 1 46 46 TYR HE1 H 1 6.796 0.015 . . . . . A 46 TYR HE1 . 25790 1 581 . 1 1 46 46 TYR HE2 H 1 6.796 0.015 . . . . . A 46 TYR HE2 . 25790 1 582 . 1 1 46 46 TYR C C 13 176.664 0.150 . . . . . A 46 TYR C . 25790 1 583 . 1 1 46 46 TYR CA C 13 62.251 0.150 . . . . . A 46 TYR CA . 25790 1 584 . 1 1 46 46 TYR CB C 13 37.672 0.150 . . . . . A 46 TYR CB . 25790 1 585 . 1 1 46 46 TYR CD1 C 13 133.025 0.150 . . . . . A 46 TYR CD1 . 25790 1 586 . 1 1 46 46 TYR CE1 C 13 118.149 0.150 . . . . . A 46 TYR CE1 . 25790 1 587 . 1 1 46 46 TYR N N 15 119.039 0.150 . . . . . A 46 TYR N . 25790 1 588 . 1 1 47 47 GLN H H 1 7.814 0.015 . . . . . A 47 GLN H . 25790 1 589 . 1 1 47 47 GLN HA H 1 3.784 0.015 . . . . . A 47 GLN HA . 25790 1 590 . 1 1 47 47 GLN HB2 H 1 2.213 0.015 . . . . . A 47 GLN HB2 . 25790 1 591 . 1 1 47 47 GLN HB3 H 1 2.213 0.015 . . . . . A 47 GLN HB3 . 25790 1 592 . 1 1 47 47 GLN HG2 H 1 2.683 0.015 . . . . . A 47 GLN HG2 . 25790 1 593 . 1 1 47 47 GLN HG3 H 1 2.611 0.015 . . . . . A 47 GLN HG3 . 25790 1 594 . 1 1 47 47 GLN C C 13 179.048 0.150 . . . . . A 47 GLN C . 25790 1 595 . 1 1 47 47 GLN CA C 13 58.949 0.150 . . . . . A 47 GLN CA . 25790 1 596 . 1 1 47 47 GLN CB C 13 28.181 0.150 . . . . . A 47 GLN CB . 25790 1 597 . 1 1 47 47 GLN CG C 13 33.470 0.150 . . . . . A 47 GLN CG . 25790 1 598 . 1 1 47 47 GLN N N 15 116.407 0.150 . . . . . A 47 GLN N . 25790 1 599 . 1 1 48 48 GLN H H 1 8.645 0.015 . . . . . A 48 GLN H . 25790 1 600 . 1 1 48 48 GLN HA H 1 3.977 0.015 . . . . . A 48 GLN HA . 25790 1 601 . 1 1 48 48 GLN HB2 H 1 2.292 0.015 . . . . . A 48 GLN HB2 . 25790 1 602 . 1 1 48 48 GLN HB3 H 1 2.113 0.015 . . . . . A 48 GLN HB3 . 25790 1 603 . 1 1 48 48 GLN HG2 H 1 2.717 0.015 . . . . . A 48 GLN HG2 . 25790 1 604 . 1 1 48 48 GLN HG3 H 1 2.442 0.015 . . . . . A 48 GLN HG3 . 25790 1 605 . 1 1 48 48 GLN HE21 H 1 7.918 0.015 . . . . . A 48 GLN HE21 . 25790 1 606 . 1 1 48 48 GLN HE22 H 1 6.873 0.015 . . . . . A 48 GLN HE22 . 25790 1 607 . 1 1 48 48 GLN C C 13 177.741 0.150 . . . . . A 48 GLN C . 25790 1 608 . 1 1 48 48 GLN CA C 13 58.314 0.150 . . . . . A 48 GLN CA . 25790 1 609 . 1 1 48 48 GLN CB C 13 28.328 0.150 . . . . . A 48 GLN CB . 25790 1 610 . 1 1 48 48 GLN CG C 13 33.240 0.150 . . . . . A 48 GLN CG . 25790 1 611 . 1 1 48 48 GLN N N 15 119.803 0.150 . . . . . A 48 GLN N . 25790 1 612 . 1 1 48 48 GLN NE2 N 15 112.462 0.150 . . . . . A 48 GLN NE2 . 25790 1 613 . 1 1 49 49 TYR H H 1 9.105 0.015 . . . . . A 49 TYR H . 25790 1 614 . 1 1 49 49 TYR HA H 1 3.640 0.015 . . . . . A 49 TYR HA . 25790 1 615 . 1 1 49 49 TYR HB2 H 1 2.888 0.015 . . . . . A 49 TYR HB2 . 25790 1 616 . 1 1 49 49 TYR HB3 H 1 2.360 0.015 . . . . . A 49 TYR HB3 . 25790 1 617 . 1 1 49 49 TYR HD1 H 1 6.550 0.015 . . . . . A 49 TYR HD1 . 25790 1 618 . 1 1 49 49 TYR HD2 H 1 6.550 0.015 . . . . . A 49 TYR HD2 . 25790 1 619 . 1 1 49 49 TYR HE1 H 1 6.912 0.015 . . . . . A 49 TYR HE1 . 25790 1 620 . 1 1 49 49 TYR HE2 H 1 6.912 0.015 . . . . . A 49 TYR HE2 . 25790 1 621 . 1 1 49 49 TYR C C 13 176.021 0.150 . . . . . A 49 TYR C . 25790 1 622 . 1 1 49 49 TYR CA C 13 62.109 0.150 . . . . . A 49 TYR CA . 25790 1 623 . 1 1 49 49 TYR CB C 13 38.907 0.150 . . . . . A 49 TYR CB . 25790 1 624 . 1 1 49 49 TYR CD1 C 13 133.041 0.150 . . . . . A 49 TYR CD1 . 25790 1 625 . 1 1 49 49 TYR CE1 C 13 117.798 0.150 . . . . . A 49 TYR CE1 . 25790 1 626 . 1 1 49 49 TYR N N 15 121.342 0.150 . . . . . A 49 TYR N . 25790 1 627 . 1 1 50 50 MET H H 1 8.060 0.015 . . . . . A 50 MET H . 25790 1 628 . 1 1 50 50 MET HA H 1 4.040 0.015 . . . . . A 50 MET HA . 25790 1 629 . 1 1 50 50 MET HB2 H 1 1.859 0.015 . . . . . A 50 MET HB2 . 25790 1 630 . 1 1 50 50 MET HB3 H 1 1.744 0.015 . . . . . A 50 MET HB3 . 25790 1 631 . 1 1 50 50 MET HG2 H 1 2.111 0.015 . . . . . A 50 MET HG2 . 25790 1 632 . 1 1 50 50 MET HG3 H 1 2.054 0.015 . . . . . A 50 MET HG3 . 25790 1 633 . 1 1 50 50 MET HE1 H 1 2.027 0.015 . . . . . A 50 MET HE1 . 25790 1 634 . 1 1 50 50 MET HE2 H 1 2.027 0.015 . . . . . A 50 MET HE2 . 25790 1 635 . 1 1 50 50 MET HE3 H 1 2.027 0.015 . . . . . A 50 MET HE3 . 25790 1 636 . 1 1 50 50 MET C C 13 179.841 0.150 . . . . . A 50 MET C . 25790 1 637 . 1 1 50 50 MET CA C 13 56.623 0.150 . . . . . A 50 MET CA . 25790 1 638 . 1 1 50 50 MET CB C 13 30.099 0.150 . . . . . A 50 MET CB . 25790 1 639 . 1 1 50 50 MET CG C 13 32.257 0.150 . . . . . A 50 MET CG . 25790 1 640 . 1 1 50 50 MET CE C 13 16.634 0.150 . . . . . A 50 MET CE . 25790 1 641 . 1 1 50 50 MET N N 15 115.522 0.150 . . . . . A 50 MET N . 25790 1 642 . 1 1 51 51 GLN H H 1 7.830 0.015 . . . . . A 51 GLN H . 25790 1 643 . 1 1 51 51 GLN HA H 1 4.065 0.015 . . . . . A 51 GLN HA . 25790 1 644 . 1 1 51 51 GLN HB2 H 1 2.148 0.015 . . . . . A 51 GLN HB2 . 25790 1 645 . 1 1 51 51 GLN HB3 H 1 2.148 0.015 . . . . . A 51 GLN HB3 . 25790 1 646 . 1 1 51 51 GLN HG2 H 1 2.390 0.015 . . . . . A 51 GLN HG2 . 25790 1 647 . 1 1 51 51 GLN HG3 H 1 2.140 0.015 . . . . . A 51 GLN HG3 . 25790 1 648 . 1 1 51 51 GLN C C 13 178.707 0.150 . . . . . A 51 GLN C . 25790 1 649 . 1 1 51 51 GLN CA C 13 58.941 0.150 . . . . . A 51 GLN CA . 25790 1 650 . 1 1 51 51 GLN CB C 13 28.489 0.150 . . . . . A 51 GLN CB . 25790 1 651 . 1 1 51 51 GLN CG C 13 33.834 0.150 . . . . . A 51 GLN CG . 25790 1 652 . 1 1 51 51 GLN N N 15 118.942 0.150 . . . . . A 51 GLN N . 25790 1 653 . 1 1 52 52 GLN H H 1 8.187 0.015 . . . . . A 52 GLN H . 25790 1 654 . 1 1 52 52 GLN HA H 1 4.057 0.015 . . . . . A 52 GLN HA . 25790 1 655 . 1 1 52 52 GLN HB2 H 1 1.965 0.015 . . . . . A 52 GLN HB2 . 25790 1 656 . 1 1 52 52 GLN HB3 H 1 2.034 0.015 . . . . . A 52 GLN HB3 . 25790 1 657 . 1 1 52 52 GLN HG2 H 1 2.464 0.015 . . . . . A 52 GLN HG2 . 25790 1 658 . 1 1 52 52 GLN HG3 H 1 2.464 0.015 . . . . . A 52 GLN HG3 . 25790 1 659 . 1 1 52 52 GLN HE21 H 1 7.548 0.015 . . . . . A 52 GLN HE21 . 25790 1 660 . 1 1 52 52 GLN HE22 H 1 6.334 0.015 . . . . . A 52 GLN HE22 . 25790 1 661 . 1 1 52 52 GLN C C 13 178.738 0.150 . . . . . A 52 GLN C . 25790 1 662 . 1 1 52 52 GLN CA C 13 58.749 0.150 . . . . . A 52 GLN CA . 25790 1 663 . 1 1 52 52 GLN CB C 13 28.403 0.150 . . . . . A 52 GLN CB . 25790 1 664 . 1 1 52 52 GLN CG C 13 34.487 0.150 . . . . . A 52 GLN CG . 25790 1 665 . 1 1 52 52 GLN N N 15 119.210 0.150 . . . . . A 52 GLN N . 25790 1 666 . 1 1 52 52 GLN NE2 N 15 110.017 0.150 . . . . . A 52 GLN NE2 . 25790 1 667 . 1 1 53 53 LEU H H 1 8.441 0.015 . . . . . A 53 LEU H . 25790 1 668 . 1 1 53 53 LEU HA H 1 3.841 0.015 . . . . . A 53 LEU HA . 25790 1 669 . 1 1 53 53 LEU HB2 H 1 1.168 0.015 . . . . . A 53 LEU HB2 . 25790 1 670 . 1 1 53 53 LEU HB3 H 1 1.412 0.015 . . . . . A 53 LEU HB3 . 25790 1 671 . 1 1 53 53 LEU HG H 1 1.300 0.015 . . . . . A 53 LEU HG . 25790 1 672 . 1 1 53 53 LEU HD11 H 1 0.761 0.015 . . . . . A 53 LEU HD11 . 25790 1 673 . 1 1 53 53 LEU HD12 H 1 0.761 0.015 . . . . . A 53 LEU HD12 . 25790 1 674 . 1 1 53 53 LEU HD13 H 1 0.761 0.015 . . . . . A 53 LEU HD13 . 25790 1 675 . 1 1 53 53 LEU HD21 H 1 0.761 0.015 . . . . . A 53 LEU HD21 . 25790 1 676 . 1 1 53 53 LEU HD22 H 1 0.761 0.015 . . . . . A 53 LEU HD22 . 25790 1 677 . 1 1 53 53 LEU HD23 H 1 0.761 0.015 . . . . . A 53 LEU HD23 . 25790 1 678 . 1 1 53 53 LEU C C 13 179.191 0.150 . . . . . A 53 LEU C . 25790 1 679 . 1 1 53 53 LEU CA C 13 57.745 0.150 . . . . . A 53 LEU CA . 25790 1 680 . 1 1 53 53 LEU CB C 13 41.866 0.150 . . . . . A 53 LEU CB . 25790 1 681 . 1 1 53 53 LEU CG C 13 26.456 0.150 . . . . . A 53 LEU CG . 25790 1 682 . 1 1 53 53 LEU CD1 C 13 24.215 0.150 . . . . . A 53 LEU CD1 . 25790 1 683 . 1 1 53 53 LEU N N 15 121.233 0.150 . . . . . A 53 LEU N . 25790 1 684 . 1 1 54 54 TYR H H 1 7.819 0.015 . . . . . A 54 TYR H . 25790 1 685 . 1 1 54 54 TYR HA H 1 4.318 0.015 . . . . . A 54 TYR HA . 25790 1 686 . 1 1 54 54 TYR HB2 H 1 3.145 0.015 . . . . . A 54 TYR HB2 . 25790 1 687 . 1 1 54 54 TYR HB3 H 1 3.145 0.015 . . . . . A 54 TYR HB3 . 25790 1 688 . 1 1 54 54 TYR HD1 H 1 7.117 0.015 . . . . . A 54 TYR HD1 . 25790 1 689 . 1 1 54 54 TYR HD2 H 1 7.117 0.015 . . . . . A 54 TYR HD2 . 25790 1 690 . 1 1 54 54 TYR HE1 H 1 6.779 0.015 . . . . . A 54 TYR HE1 . 25790 1 691 . 1 1 54 54 TYR HE2 H 1 6.779 0.015 . . . . . A 54 TYR HE2 . 25790 1 692 . 1 1 54 54 TYR C C 13 177.535 0.150 . . . . . A 54 TYR C . 25790 1 693 . 1 1 54 54 TYR CA C 13 60.477 0.150 . . . . . A 54 TYR CA . 25790 1 694 . 1 1 54 54 TYR CB C 13 37.786 0.150 . . . . . A 54 TYR CB . 25790 1 695 . 1 1 54 54 TYR CD1 C 13 132.998 0.150 . . . . . A 54 TYR CD1 . 25790 1 696 . 1 1 54 54 TYR CE1 C 13 118.133 0.150 . . . . . A 54 TYR CE1 . 25790 1 697 . 1 1 54 54 TYR N N 15 118.505 0.150 . . . . . A 54 TYR N . 25790 1 698 . 1 1 55 55 GLN H H 1 7.735 0.015 . . . . . A 55 GLN H . 25790 1 699 . 1 1 55 55 GLN HA H 1 3.899 0.015 . . . . . A 55 GLN HA . 25790 1 700 . 1 1 55 55 GLN HB2 H 1 2.198 0.015 . . . . . A 55 GLN HB2 . 25790 1 701 . 1 1 55 55 GLN HB3 H 1 2.198 0.015 . . . . . A 55 GLN HB3 . 25790 1 702 . 1 1 55 55 GLN HG2 H 1 2.530 0.015 . . . . . A 55 GLN HG2 . 25790 1 703 . 1 1 55 55 GLN HG3 H 1 2.552 0.015 . . . . . A 55 GLN HG3 . 25790 1 704 . 1 1 55 55 GLN C C 13 179.041 0.150 . . . . . A 55 GLN C . 25790 1 705 . 1 1 55 55 GLN CA C 13 58.709 0.150 . . . . . A 55 GLN CA . 25790 1 706 . 1 1 55 55 GLN CB C 13 28.215 0.150 . . . . . A 55 GLN CB . 25790 1 707 . 1 1 55 55 GLN CG C 13 33.936 0.150 . . . . . A 55 GLN CG . 25790 1 708 . 1 1 55 55 GLN N N 15 117.299 0.150 . . . . . A 55 GLN N . 25790 1 709 . 1 1 56 56 VAL H H 1 8.014 0.015 . . . . . A 56 VAL H . 25790 1 710 . 1 1 56 56 VAL HA H 1 3.792 0.015 . . . . . A 56 VAL HA . 25790 1 711 . 1 1 56 56 VAL HB H 1 2.201 0.015 . . . . . A 56 VAL HB . 25790 1 712 . 1 1 56 56 VAL HG11 H 1 0.938 0.015 . . . . . A 56 VAL HG11 . 25790 1 713 . 1 1 56 56 VAL HG12 H 1 0.938 0.015 . . . . . A 56 VAL HG12 . 25790 1 714 . 1 1 56 56 VAL HG13 H 1 0.938 0.015 . . . . . A 56 VAL HG13 . 25790 1 715 . 1 1 56 56 VAL HG21 H 1 1.054 0.015 . . . . . A 56 VAL HG21 . 25790 1 716 . 1 1 56 56 VAL HG22 H 1 1.054 0.015 . . . . . A 56 VAL HG22 . 25790 1 717 . 1 1 56 56 VAL HG23 H 1 1.054 0.015 . . . . . A 56 VAL HG23 . 25790 1 718 . 1 1 56 56 VAL C C 13 178.262 0.150 . . . . . A 56 VAL C . 25790 1 719 . 1 1 56 56 VAL CA C 13 65.942 0.150 . . . . . A 56 VAL CA . 25790 1 720 . 1 1 56 56 VAL CB C 13 31.879 0.150 . . . . . A 56 VAL CB . 25790 1 721 . 1 1 56 56 VAL CG1 C 13 21.060 0.150 . . . . . A 56 VAL CG1 . 25790 1 722 . 1 1 56 56 VAL CG2 C 13 22.482 0.150 . . . . . A 56 VAL CG2 . 25790 1 723 . 1 1 56 56 VAL N N 15 120.879 0.150 . . . . . A 56 VAL N . 25790 1 724 . 1 1 57 57 GLN H H 1 8.103 0.015 . . . . . A 57 GLN H . 25790 1 725 . 1 1 57 57 GLN HA H 1 4.060 0.015 . . . . . A 57 GLN HA . 25790 1 726 . 1 1 57 57 GLN HB2 H 1 2.045 0.015 . . . . . A 57 GLN HB2 . 25790 1 727 . 1 1 57 57 GLN HB3 H 1 2.157 0.015 . . . . . A 57 GLN HB3 . 25790 1 728 . 1 1 57 57 GLN HG2 H 1 2.521 0.015 . . . . . A 57 GLN HG2 . 25790 1 729 . 1 1 57 57 GLN HG3 H 1 2.329 0.015 . . . . . A 57 GLN HG3 . 25790 1 730 . 1 1 57 57 GLN HE21 H 1 7.400 0.015 . . . . . A 57 GLN HE21 . 25790 1 731 . 1 1 57 57 GLN HE22 H 1 6.793 0.015 . . . . . A 57 GLN HE22 . 25790 1 732 . 1 1 57 57 GLN C C 13 178.772 0.150 . . . . . A 57 GLN C . 25790 1 733 . 1 1 57 57 GLN CA C 13 58.616 0.150 . . . . . A 57 GLN CA . 25790 1 734 . 1 1 57 57 GLN CB C 13 27.985 0.150 . . . . . A 57 GLN CB . 25790 1 735 . 1 1 57 57 GLN N N 15 120.513 0.150 . . . . . A 57 GLN N . 25790 1 736 . 1 1 57 57 GLN NE2 N 15 110.743 0.150 . . . . . A 57 GLN NE2 . 25790 1 737 . 1 1 58 58 LEU H H 1 8.176 0.015 . . . . . A 58 LEU H . 25790 1 738 . 1 1 58 58 LEU HA H 1 4.005 0.015 . . . . . A 58 LEU HA . 25790 1 739 . 1 1 58 58 LEU HB2 H 1 1.495 0.015 . . . . . A 58 LEU HB2 . 25790 1 740 . 1 1 58 58 LEU HB3 H 1 1.495 0.015 . . . . . A 58 LEU HB3 . 25790 1 741 . 1 1 58 58 LEU HG H 1 1.423 0.015 . . . . . A 58 LEU HG . 25790 1 742 . 1 1 58 58 LEU HD11 H 1 0.771 0.015 . . . . . A 58 LEU HD11 . 25790 1 743 . 1 1 58 58 LEU HD12 H 1 0.771 0.015 . . . . . A 58 LEU HD12 . 25790 1 744 . 1 1 58 58 LEU HD13 H 1 0.771 0.015 . . . . . A 58 LEU HD13 . 25790 1 745 . 1 1 58 58 LEU HD21 H 1 0.783 0.015 . . . . . A 58 LEU HD21 . 25790 1 746 . 1 1 58 58 LEU HD22 H 1 0.783 0.015 . . . . . A 58 LEU HD22 . 25790 1 747 . 1 1 58 58 LEU HD23 H 1 0.783 0.015 . . . . . A 58 LEU HD23 . 25790 1 748 . 1 1 58 58 LEU C C 13 179.134 0.150 . . . . . A 58 LEU C . 25790 1 749 . 1 1 58 58 LEU CA C 13 57.506 0.150 . . . . . A 58 LEU CA . 25790 1 750 . 1 1 58 58 LEU CB C 13 41.803 0.150 . . . . . A 58 LEU CB . 25790 1 751 . 1 1 58 58 LEU CG C 13 26.639 0.150 . . . . . A 58 LEU CG . 25790 1 752 . 1 1 58 58 LEU CD1 C 13 24.267 0.150 . . . . . A 58 LEU CD1 . 25790 1 753 . 1 1 58 58 LEU CD2 C 13 23.770 0.150 . . . . . A 58 LEU CD2 . 25790 1 754 . 1 1 58 58 LEU N N 15 121.244 0.150 . . . . . A 58 LEU N . 25790 1 755 . 1 1 59 59 ALA H H 1 7.833 0.015 . . . . . A 59 ALA H . 25790 1 756 . 1 1 59 59 ALA HA H 1 4.165 0.015 . . . . . A 59 ALA HA . 25790 1 757 . 1 1 59 59 ALA HB1 H 1 1.495 0.015 . . . . . A 59 ALA HB1 . 25790 1 758 . 1 1 59 59 ALA HB2 H 1 1.495 0.015 . . . . . A 59 ALA HB2 . 25790 1 759 . 1 1 59 59 ALA HB3 H 1 1.495 0.015 . . . . . A 59 ALA HB3 . 25790 1 760 . 1 1 59 59 ALA C C 13 180.497 0.150 . . . . . A 59 ALA C . 25790 1 761 . 1 1 59 59 ALA CA C 13 54.582 0.150 . . . . . A 59 ALA CA . 25790 1 762 . 1 1 59 59 ALA CB C 13 18.053 0.150 . . . . . A 59 ALA CB . 25790 1 763 . 1 1 59 59 ALA N N 15 121.608 0.150 . . . . . A 59 ALA N . 25790 1 764 . 1 1 60 60 GLN H H 1 8.081 0.015 . . . . . A 60 GLN H . 25790 1 765 . 1 1 60 60 GLN HA H 1 4.148 0.015 . . . . . A 60 GLN HA . 25790 1 766 . 1 1 60 60 GLN HB2 H 1 2.143 0.015 . . . . . A 60 GLN HB2 . 25790 1 767 . 1 1 60 60 GLN HB3 H 1 2.190 0.015 . . . . . A 60 GLN HB3 . 25790 1 768 . 1 1 60 60 GLN HG2 H 1 2.565 0.015 . . . . . A 60 GLN HG2 . 25790 1 769 . 1 1 60 60 GLN HG3 H 1 2.417 0.015 . . . . . A 60 GLN HG3 . 25790 1 770 . 1 1 60 60 GLN C C 13 178.334 0.150 . . . . . A 60 GLN C . 25790 1 771 . 1 1 60 60 GLN CA C 13 57.977 0.150 . . . . . A 60 GLN CA . 25790 1 772 . 1 1 60 60 GLN CB C 13 28.435 0.150 . . . . . A 60 GLN CB . 25790 1 773 . 1 1 60 60 GLN N N 15 118.335 0.150 . . . . . A 60 GLN N . 25790 1 774 . 1 1 61 61 GLN H H 1 8.111 0.015 . . . . . A 61 GLN H . 25790 1 775 . 1 1 61 61 GLN HA H 1 4.162 0.015 . . . . . A 61 GLN HA . 25790 1 776 . 1 1 61 61 GLN HB2 H 1 2.175 0.015 . . . . . A 61 GLN HB2 . 25790 1 777 . 1 1 61 61 GLN HB3 H 1 2.175 0.015 . . . . . A 61 GLN HB3 . 25790 1 778 . 1 1 61 61 GLN HG2 H 1 2.515 0.015 . . . . . A 61 GLN HG2 . 25790 1 779 . 1 1 61 61 GLN HG3 H 1 2.395 0.015 . . . . . A 61 GLN HG3 . 25790 1 780 . 1 1 61 61 GLN C C 13 178.002 0.150 . . . . . A 61 GLN C . 25790 1 781 . 1 1 61 61 GLN CA C 13 57.905 0.150 . . . . . A 61 GLN CA . 25790 1 782 . 1 1 61 61 GLN CB C 13 28.579 0.150 . . . . . A 61 GLN CB . 25790 1 783 . 1 1 61 61 GLN N N 15 120.206 0.150 . . . . . A 61 GLN N . 25790 1 784 . 1 1 62 62 GLN H H 1 8.203 0.015 . . . . . A 62 GLN H . 25790 1 785 . 1 1 62 62 GLN HA H 1 4.129 0.015 . . . . . A 62 GLN HA . 25790 1 786 . 1 1 62 62 GLN HB2 H 1 2.111 0.015 . . . . . A 62 GLN HB2 . 25790 1 787 . 1 1 62 62 GLN HB3 H 1 2.111 0.015 . . . . . A 62 GLN HB3 . 25790 1 788 . 1 1 62 62 GLN HG2 H 1 2.468 0.015 . . . . . A 62 GLN HG2 . 25790 1 789 . 1 1 62 62 GLN HG3 H 1 2.417 0.015 . . . . . A 62 GLN HG3 . 25790 1 790 . 1 1 62 62 GLN HE21 H 1 7.455 0.015 . . . . . A 62 GLN HE21 . 25790 1 791 . 1 1 62 62 GLN HE22 H 1 6.840 0.015 . . . . . A 62 GLN HE22 . 25790 1 792 . 1 1 62 62 GLN C C 13 177.624 0.150 . . . . . A 62 GLN C . 25790 1 793 . 1 1 62 62 GLN CA C 13 57.636 0.150 . . . . . A 62 GLN CA . 25790 1 794 . 1 1 62 62 GLN CB C 13 28.636 0.150 . . . . . A 62 GLN CB . 25790 1 795 . 1 1 62 62 GLN N N 15 118.980 0.150 . . . . . A 62 GLN N . 25790 1 796 . 1 1 62 62 GLN NE2 N 15 111.893 0.150 . . . . . A 62 GLN NE2 . 25790 1 797 . 1 1 63 63 ALA H H 1 8.004 0.015 . . . . . A 63 ALA H . 25790 1 798 . 1 1 63 63 ALA HA H 1 4.206 0.015 . . . . . A 63 ALA HA . 25790 1 799 . 1 1 63 63 ALA HB1 H 1 1.450 0.015 . . . . . A 63 ALA HB1 . 25790 1 800 . 1 1 63 63 ALA HB2 H 1 1.450 0.015 . . . . . A 63 ALA HB2 . 25790 1 801 . 1 1 63 63 ALA HB3 H 1 1.450 0.015 . . . . . A 63 ALA HB3 . 25790 1 802 . 1 1 63 63 ALA C C 13 178.922 0.150 . . . . . A 63 ALA C . 25790 1 803 . 1 1 63 63 ALA CA C 13 53.896 0.150 . . . . . A 63 ALA CA . 25790 1 804 . 1 1 63 63 ALA CB C 13 18.459 0.150 . . . . . A 63 ALA CB . 25790 1 805 . 1 1 63 63 ALA N N 15 122.712 0.150 . . . . . A 63 ALA N . 25790 1 806 . 1 1 64 64 ALA H H 1 7.837 0.015 . . . . . A 64 ALA H . 25790 1 807 . 1 1 64 64 ALA HA H 1 4.232 0.015 . . . . . A 64 ALA HA . 25790 1 808 . 1 1 64 64 ALA HB1 H 1 1.455 0.015 . . . . . A 64 ALA HB1 . 25790 1 809 . 1 1 64 64 ALA HB2 H 1 1.455 0.015 . . . . . A 64 ALA HB2 . 25790 1 810 . 1 1 64 64 ALA HB3 H 1 1.455 0.015 . . . . . A 64 ALA HB3 . 25790 1 811 . 1 1 64 64 ALA C C 13 178.732 0.150 . . . . . A 64 ALA C . 25790 1 812 . 1 1 64 64 ALA CA C 13 53.516 0.150 . . . . . A 64 ALA CA . 25790 1 813 . 1 1 64 64 ALA CB C 13 18.630 0.150 . . . . . A 64 ALA CB . 25790 1 814 . 1 1 64 64 ALA N N 15 120.813 0.150 . . . . . A 64 ALA N . 25790 1 815 . 1 1 65 65 LEU H H 1 7.765 0.015 . . . . . A 65 LEU H . 25790 1 816 . 1 1 65 65 LEU HA H 1 4.257 0.015 . . . . . A 65 LEU HA . 25790 1 817 . 1 1 65 65 LEU HB2 H 1 1.613 0.015 . . . . . A 65 LEU HB2 . 25790 1 818 . 1 1 65 65 LEU HB3 H 1 1.743 0.015 . . . . . A 65 LEU HB3 . 25790 1 819 . 1 1 65 65 LEU HG H 1 1.739 0.015 . . . . . A 65 LEU HG . 25790 1 820 . 1 1 65 65 LEU HD11 H 1 0.926 0.015 . . . . . A 65 LEU HD11 . 25790 1 821 . 1 1 65 65 LEU HD12 H 1 0.926 0.015 . . . . . A 65 LEU HD12 . 25790 1 822 . 1 1 65 65 LEU HD13 H 1 0.926 0.015 . . . . . A 65 LEU HD13 . 25790 1 823 . 1 1 65 65 LEU HD21 H 1 0.884 0.015 . . . . . A 65 LEU HD21 . 25790 1 824 . 1 1 65 65 LEU HD22 H 1 0.884 0.015 . . . . . A 65 LEU HD22 . 25790 1 825 . 1 1 65 65 LEU HD23 H 1 0.884 0.015 . . . . . A 65 LEU HD23 . 25790 1 826 . 1 1 65 65 LEU C C 13 178.038 0.150 . . . . . A 65 LEU C . 25790 1 827 . 1 1 65 65 LEU CA C 13 55.822 0.150 . . . . . A 65 LEU CA . 25790 1 828 . 1 1 65 65 LEU CB C 13 42.264 0.150 . . . . . A 65 LEU CB . 25790 1 829 . 1 1 65 65 LEU CG C 13 26.824 0.150 . . . . . A 65 LEU CG . 25790 1 830 . 1 1 65 65 LEU CD1 C 13 24.846 0.150 . . . . . A 65 LEU CD1 . 25790 1 831 . 1 1 65 65 LEU CD2 C 13 23.303 0.150 . . . . . A 65 LEU CD2 . 25790 1 832 . 1 1 65 65 LEU N N 15 119.196 0.150 . . . . . A 65 LEU N . 25790 1 833 . 1 1 66 66 GLN H H 1 7.967 0.015 . . . . . A 66 GLN H . 25790 1 834 . 1 1 66 66 GLN HA H 1 4.275 0.015 . . . . . A 66 GLN HA . 25790 1 835 . 1 1 66 66 GLN HB2 H 1 2.036 0.015 . . . . . A 66 GLN HB2 . 25790 1 836 . 1 1 66 66 GLN HB3 H 1 2.140 0.015 . . . . . A 66 GLN HB3 . 25790 1 837 . 1 1 66 66 GLN HG2 H 1 2.417 0.015 . . . . . A 66 GLN HG2 . 25790 1 838 . 1 1 66 66 GLN HG3 H 1 2.417 0.015 . . . . . A 66 GLN HG3 . 25790 1 839 . 1 1 66 66 GLN C C 13 176.120 0.150 . . . . . A 66 GLN C . 25790 1 840 . 1 1 66 66 GLN CA C 13 56.067 0.150 . . . . . A 66 GLN CA . 25790 1 841 . 1 1 66 66 GLN CB C 13 29.132 0.150 . . . . . A 66 GLN CB . 25790 1 842 . 1 1 66 66 GLN N N 15 119.365 0.150 . . . . . A 66 GLN N . 25790 1 843 . 1 1 67 67 LYS H H 1 8.053 0.015 . . . . . A 67 LYS H . 25790 1 844 . 1 1 67 67 LYS HA H 1 4.309 0.015 . . . . . A 67 LYS HA . 25790 1 845 . 1 1 67 67 LYS HB2 H 1 1.792 0.015 . . . . . A 67 LYS HB2 . 25790 1 846 . 1 1 67 67 LYS HB3 H 1 1.868 0.015 . . . . . A 67 LYS HB3 . 25790 1 847 . 1 1 67 67 LYS HG2 H 1 1.455 0.015 . . . . . A 67 LYS HG2 . 25790 1 848 . 1 1 67 67 LYS HG3 H 1 1.455 0.015 . . . . . A 67 LYS HG3 . 25790 1 849 . 1 1 67 67 LYS HD2 H 1 1.694 0.015 . . . . . A 67 LYS HD2 . 25790 1 850 . 1 1 67 67 LYS HD3 H 1 1.694 0.015 . . . . . A 67 LYS HD3 . 25790 1 851 . 1 1 67 67 LYS HE2 H 1 3.004 0.015 . . . . . A 67 LYS HE2 . 25790 1 852 . 1 1 67 67 LYS HE3 H 1 3.004 0.015 . . . . . A 67 LYS HE3 . 25790 1 853 . 1 1 67 67 LYS C C 13 176.437 0.150 . . . . . A 67 LYS C . 25790 1 854 . 1 1 67 67 LYS CA C 13 56.389 0.150 . . . . . A 67 LYS CA . 25790 1 855 . 1 1 67 67 LYS CB C 13 33.041 0.150 . . . . . A 67 LYS CB . 25790 1 856 . 1 1 67 67 LYS CG C 13 24.761 0.150 . . . . . A 67 LYS CG . 25790 1 857 . 1 1 67 67 LYS CD C 13 29.064 0.150 . . . . . A 67 LYS CD . 25790 1 858 . 1 1 67 67 LYS CE C 13 42.151 0.150 . . . . . A 67 LYS CE . 25790 1 859 . 1 1 67 67 LYS N N 15 121.521 0.150 . . . . . A 67 LYS N . 25790 1 860 . 1 1 68 68 GLN H H 1 8.314 0.015 . . . . . A 68 GLN H . 25790 1 861 . 1 1 68 68 GLN HA H 1 4.339 0.015 . . . . . A 68 GLN HA . 25790 1 862 . 1 1 68 68 GLN HB2 H 1 2.012 0.015 . . . . . A 68 GLN HB2 . 25790 1 863 . 1 1 68 68 GLN HB3 H 1 2.153 0.015 . . . . . A 68 GLN HB3 . 25790 1 864 . 1 1 68 68 GLN HG2 H 1 2.401 0.015 . . . . . A 68 GLN HG2 . 25790 1 865 . 1 1 68 68 GLN HG3 H 1 2.401 0.015 . . . . . A 68 GLN HG3 . 25790 1 866 . 1 1 68 68 GLN C C 13 175.120 0.150 . . . . . A 68 GLN C . 25790 1 867 . 1 1 68 68 GLN CA C 13 56.000 0.150 . . . . . A 68 GLN CA . 25790 1 868 . 1 1 68 68 GLN CB C 13 29.498 0.150 . . . . . A 68 GLN CB . 25790 1 869 . 1 1 68 68 GLN N N 15 121.970 0.150 . . . . . A 68 GLN N . 25790 1 870 . 1 1 69 69 GLN H H 1 8.016 0.015 . . . . . A 69 GLN H . 25790 1 871 . 1 1 69 69 GLN HA H 1 4.157 0.015 . . . . . A 69 GLN HA . 25790 1 872 . 1 1 69 69 GLN HB2 H 1 2.123 0.015 . . . . . A 69 GLN HB2 . 25790 1 873 . 1 1 69 69 GLN HB3 H 1 1.941 0.015 . . . . . A 69 GLN HB3 . 25790 1 874 . 1 1 69 69 GLN HG2 H 1 2.314 0.015 . . . . . A 69 GLN HG2 . 25790 1 875 . 1 1 69 69 GLN HG3 H 1 2.314 0.015 . . . . . A 69 GLN HG3 . 25790 1 876 . 1 1 69 69 GLN C C 13 180.477 0.150 . . . . . A 69 GLN C . 25790 1 877 . 1 1 69 69 GLN CA C 13 57.444 0.150 . . . . . A 69 GLN CA . 25790 1 878 . 1 1 69 69 GLN CB C 13 30.413 0.150 . . . . . A 69 GLN CB . 25790 1 879 . 1 1 69 69 GLN CG C 13 34.309 0.150 . . . . . A 69 GLN CG . 25790 1 880 . 1 1 69 69 GLN N N 15 126.854 0.150 . . . . . A 69 GLN N . 25790 1 stop_ save_