data_11595 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11595 _Entry.Title ; Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-07 _Entry.Accession_date 2015-07-12 _Entry.Last_release_date 2016-02-01 _Entry.Original_release_date 2016-02-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.96 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Ae-Ree Lee . . . . 11595 2 Chin-Ju Park . . . . 11595 3 Jin-Wan Park . . . . 11595 4 Mun-Young Kwon . . . . 11595 5 Yong-Geun Choi . . . . 11595 6 'Kyeong Kyu' Kim . . . . 11595 7 Byong-Seok Choi . . . . 11595 8 Joon-Hwa LEE . . . . 11595 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' . 11595 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Z dna binding protein' . 11595 'helix turn helix' . 11595 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11595 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 11595 '15N chemical shifts' 70 11595 '1H chemical shifts' 412 11595 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 . . 2016-02-01 . original BMRB . 11595 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVC 'BMRB Entry Tracking System' 11595 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11595 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _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 Ae-Ree Lee . . . . 11595 1 2 Chin-Ju Park . . . . 11595 1 3 Jin-Wan Park . . . . 11595 1 4 Mun-Young Kwon . . . . 11595 1 5 Yong-Geun Choi . . . . 11595 1 6 'Kyeong Kyu' Kim . . . . 11595 1 7 Byong-Seok Choi . . . . 11595 1 8 Joon-Hwa Lee . . . . 11595 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11595 _Assembly.ID 1 _Assembly.Name 'Zalpha domain' _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 . . . 11595 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11595 _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 ; MSAETQMERKIIDFLRQNGK SIALTIAKEIGLDKSTVNRH LYNLQRSNQVFNSNEKPPVW DLME ; _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 64 _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 7458.576 _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 . 11595 1 2 2 SER . 11595 1 3 3 ALA . 11595 1 4 4 GLU . 11595 1 5 5 THR . 11595 1 6 6 GLN . 11595 1 7 7 MET . 11595 1 8 8 GLU . 11595 1 9 9 ARG . 11595 1 10 10 LYS . 11595 1 11 11 ILE . 11595 1 12 12 ILE . 11595 1 13 13 ASP . 11595 1 14 14 PHE . 11595 1 15 15 LEU . 11595 1 16 16 ARG . 11595 1 17 17 GLN . 11595 1 18 18 ASN . 11595 1 19 19 GLY . 11595 1 20 20 LYS . 11595 1 21 21 SER . 11595 1 22 22 ILE . 11595 1 23 23 ALA . 11595 1 24 24 LEU . 11595 1 25 25 THR . 11595 1 26 26 ILE . 11595 1 27 27 ALA . 11595 1 28 28 LYS . 11595 1 29 29 GLU . 11595 1 30 30 ILE . 11595 1 31 31 GLY . 11595 1 32 32 LEU . 11595 1 33 33 ASP . 11595 1 34 34 LYS . 11595 1 35 35 SER . 11595 1 36 36 THR . 11595 1 37 37 VAL . 11595 1 38 38 ASN . 11595 1 39 39 ARG . 11595 1 40 40 HIS . 11595 1 41 41 LEU . 11595 1 42 42 TYR . 11595 1 43 43 ASN . 11595 1 44 44 LEU . 11595 1 45 45 GLN . 11595 1 46 46 ARG . 11595 1 47 47 SER . 11595 1 48 48 ASN . 11595 1 49 49 GLN . 11595 1 50 50 VAL . 11595 1 51 51 PHE . 11595 1 52 52 ASN . 11595 1 53 53 SER . 11595 1 54 54 ASN . 11595 1 55 55 GLU . 11595 1 56 56 LYS . 11595 1 57 57 PRO . 11595 1 58 58 PRO . 11595 1 59 59 VAL . 11595 1 60 60 TRP . 11595 1 61 61 ASP . 11595 1 62 62 LEU . 11595 1 63 63 MET . 11595 1 64 64 GLU . 11595 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 11595 1 . SER 2 2 11595 1 . ALA 3 3 11595 1 . GLU 4 4 11595 1 . THR 5 5 11595 1 . GLN 6 6 11595 1 . MET 7 7 11595 1 . GLU 8 8 11595 1 . ARG 9 9 11595 1 . LYS 10 10 11595 1 . ILE 11 11 11595 1 . ILE 12 12 11595 1 . ASP 13 13 11595 1 . PHE 14 14 11595 1 . LEU 15 15 11595 1 . ARG 16 16 11595 1 . GLN 17 17 11595 1 . ASN 18 18 11595 1 . GLY 19 19 11595 1 . LYS 20 20 11595 1 . SER 21 21 11595 1 . ILE 22 22 11595 1 . ALA 23 23 11595 1 . LEU 24 24 11595 1 . THR 25 25 11595 1 . ILE 26 26 11595 1 . ALA 27 27 11595 1 . LYS 28 28 11595 1 . GLU 29 29 11595 1 . ILE 30 30 11595 1 . GLY 31 31 11595 1 . LEU 32 32 11595 1 . ASP 33 33 11595 1 . LYS 34 34 11595 1 . SER 35 35 11595 1 . THR 36 36 11595 1 . VAL 37 37 11595 1 . ASN 38 38 11595 1 . ARG 39 39 11595 1 . HIS 40 40 11595 1 . LEU 41 41 11595 1 . TYR 42 42 11595 1 . ASN 43 43 11595 1 . LEU 44 44 11595 1 . GLN 45 45 11595 1 . ARG 46 46 11595 1 . SER 47 47 11595 1 . ASN 48 48 11595 1 . GLN 49 49 11595 1 . VAL 50 50 11595 1 . PHE 51 51 11595 1 . ASN 52 52 11595 1 . SER 53 53 11595 1 . ASN 54 54 11595 1 . GLU 55 55 11595 1 . LYS 56 56 11595 1 . PRO 57 57 11595 1 . PRO 58 58 11595 1 . VAL 59 59 11595 1 . TRP 60 60 11595 1 . ASP 61 61 11595 1 . LEU 62 62 11595 1 . MET 63 63 11595 1 . GLU 64 64 11595 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 11595 _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 . 7957 organism . 'Carassius auratus' goldfish . . Eukaryota Metazoa Carassius auratus . . . . . . . . . . . . . 11595 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 11595 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET28a . . . 11595 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11595 _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 caZapkz '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 1.0 . . mM . . . . 11595 1 2 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11595 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 11595 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11595 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11595 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 11595 _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 11595 1 pH 6 . pH 11595 1 pressure 1 . atm 11595 1 temperature 298 . K 11595 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11595 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11595 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11595 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11595 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11595 _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 Varian 'Agilent DD2' . 700 'equipped with a triple-resonance cryogenic probe' . . 11595 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 11595 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11595 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 11595 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external direct 0.251449530 . . . . . . . . . 11595 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 11595 1 N 15 DSS 'methyl protons' . . . . ppm 0 external direct 0.101329118 . . . . . . . . . 11595 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 11595 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.005 _Assigned_chem_shift_list.Chem_shift_15N_err 0.005 _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 2 '3D HNCO' 1 $sample_1 isotropic 11595 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11595 1 4 '3D HNCACB' 1 $sample_1 isotropic 11595 1 5 '3D HNCA' 1 $sample_1 isotropic 11595 1 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11595 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11595 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 3 3 ALA HA H 1 4.191 0.005 . . . . . A 3 ALA HA . 11595 1 2 . 1 1 3 3 ALA HB1 H 1 1.461 0.002 . . . . . A 3 ALA HB1 . 11595 1 3 . 1 1 3 3 ALA HB2 H 1 1.461 0.002 . . . . . A 3 ALA HB2 . 11595 1 4 . 1 1 3 3 ALA HB3 H 1 1.461 0.002 . . . . . A 3 ALA HB3 . 11595 1 5 . 1 1 3 3 ALA CA C 13 54.665 0.077 . . . . . A 3 ALA CA . 11595 1 6 . 1 1 3 3 ALA CB C 13 18.651 0.199 . . . . . A 3 ALA CB . 11595 1 7 . 1 1 4 4 GLU H H 1 8.446 0.004 . . . . . A 4 GLU H . 11595 1 8 . 1 1 4 4 GLU HA H 1 4.152 0.016 . . . . . A 4 GLU HA . 11595 1 9 . 1 1 4 4 GLU HB2 H 1 2.359 0.001 . . . . . A 4 GLU HB2 . 11595 1 10 . 1 1 4 4 GLU HB3 H 1 2.118 0.005 . . . . . A 4 GLU HB3 . 11595 1 11 . 1 1 4 4 GLU CA C 13 59.635 0.001 . . . . . A 4 GLU CA . 11595 1 12 . 1 1 4 4 GLU CB C 13 29.917 0.003 . . . . . A 4 GLU CB . 11595 1 13 . 1 1 4 4 GLU N N 15 118.659 0.024 . . . . . A 4 GLU N . 11595 1 14 . 1 1 5 5 THR H H 1 7.867 0.004 . . . . . A 5 THR H . 11595 1 15 . 1 1 5 5 THR HA H 1 3.991 0.008 . . . . . A 5 THR HA . 11595 1 16 . 1 1 5 5 THR HB H 1 4.148 0.002 . . . . . A 5 THR HB . 11595 1 17 . 1 1 5 5 THR HG21 H 1 1.276 0.002 . . . . . A 5 THR HG21 . 11595 1 18 . 1 1 5 5 THR HG22 H 1 1.276 0.002 . . . . . A 5 THR HG22 . 11595 1 19 . 1 1 5 5 THR HG23 H 1 1.276 0.002 . . . . . A 5 THR HG23 . 11595 1 20 . 1 1 5 5 THR CA C 13 65.283 0.320 . . . . . A 5 THR CA . 11595 1 21 . 1 1 5 5 THR CB C 13 69.084 0.041 . . . . . A 5 THR CB . 11595 1 22 . 1 1 5 5 THR N N 15 115.363 0.294 . . . . . A 5 THR N . 11595 1 23 . 1 1 6 6 GLN H H 1 8.209 0.003 . . . . . A 6 GLN H . 11595 1 24 . 1 1 6 6 GLN HA H 1 4.014 0.010 . . . . . A 6 GLN HA . 11595 1 25 . 1 1 6 6 GLN HB2 H 1 2.118 0.003 . . . . . A 6 GLN HB2 . 11595 1 26 . 1 1 6 6 GLN HB3 H 1 2.118 0.003 . . . . . A 6 GLN HB3 . 11595 1 27 . 1 1 6 6 GLN HG2 H 1 2.308 0.005 . . . . . A 6 GLN HG2 . 11595 1 28 . 1 1 6 6 GLN HG3 H 1 2.435 0.003 . . . . . A 6 GLN HG3 . 11595 1 29 . 1 1 6 6 GLN HE21 H 1 6.885 0.002 . . . . . A 6 GLN HE21 . 11595 1 30 . 1 1 6 6 GLN HE22 H 1 7.332 0.001 . . . . . A 6 GLN HE22 . 11595 1 31 . 1 1 6 6 GLN CA C 13 59.149 0.120 . . . . . A 6 GLN CA . 11595 1 32 . 1 1 6 6 GLN CB C 13 28.845 0.008 . . . . . A 6 GLN CB . 11595 1 33 . 1 1 6 6 GLN CG C 13 34.066 0.007 . . . . . A 6 GLN CG . 11595 1 34 . 1 1 6 6 GLN N N 15 120.675 0.110 . . . . . A 6 GLN N . 11595 1 35 . 1 1 6 6 GLN NE2 N 15 111.637 0.085 . . . . . A 6 GLN NE2 . 11595 1 36 . 1 1 7 7 MET H H 1 7.874 0.005 . . . . . A 7 MET H . 11595 1 37 . 1 1 7 7 MET HA H 1 4.169 0.005 . . . . . A 7 MET HA . 11595 1 38 . 1 1 7 7 MET HB2 H 1 1.351 0.006 . . . . . A 7 MET HB2 . 11595 1 39 . 1 1 7 7 MET HB3 H 1 1.826 0.002 . . . . . A 7 MET HB3 . 11595 1 40 . 1 1 7 7 MET HG2 H 1 2.426 0.002 . . . . . A 7 MET HG2 . 11595 1 41 . 1 1 7 7 MET HG3 H 1 2.470 0.009 . . . . . A 7 MET HG3 . 11595 1 42 . 1 1 7 7 MET CA C 13 57.721 0.122 . . . . . A 7 MET CA . 11595 1 43 . 1 1 7 7 MET CB C 13 31.582 0.195 . . . . . A 7 MET CB . 11595 1 44 . 1 1 7 7 MET CG C 13 32.684 0.261 . . . . . A 7 MET CG . 11595 1 45 . 1 1 7 7 MET N N 15 118.963 0.088 . . . . . A 7 MET N . 11595 1 46 . 1 1 8 8 GLU H H 1 7.881 0.002 . . . . . A 8 GLU H . 11595 1 47 . 1 1 8 8 GLU HA H 1 3.441 0.007 . . . . . A 8 GLU HA . 11595 1 48 . 1 1 8 8 GLU HB2 H 1 1.949 0.004 . . . . . A 8 GLU HB2 . 11595 1 49 . 1 1 8 8 GLU HB3 H 1 2.268 0.006 . . . . . A 8 GLU HB3 . 11595 1 50 . 1 1 8 8 GLU HG2 H 1 2.039 0.002 . . . . . A 8 GLU HG2 . 11595 1 51 . 1 1 8 8 GLU HG3 H 1 2.432 0.005 . . . . . A 8 GLU HG3 . 11595 1 52 . 1 1 8 8 GLU CA C 13 60.698 0.153 . . . . . A 8 GLU CA . 11595 1 53 . 1 1 8 8 GLU CB C 13 29.787 0.143 . . . . . A 8 GLU CB . 11595 1 54 . 1 1 8 8 GLU CG C 13 37.550 0.169 . . . . . A 8 GLU CG . 11595 1 55 . 1 1 8 8 GLU N N 15 118.788 0.071 . . . . . A 8 GLU N . 11595 1 56 . 1 1 9 9 ARG H H 1 7.918 0.002 . . . . . A 9 ARG H . 11595 1 57 . 1 1 9 9 ARG HA H 1 3.904 0.002 . . . . . A 9 ARG HA . 11595 1 58 . 1 1 9 9 ARG HB2 H 1 1.931 0.001 . . . . . A 9 ARG HB2 . 11595 1 59 . 1 1 9 9 ARG HB3 H 1 1.931 0.001 . . . . . A 9 ARG HB3 . 11595 1 60 . 1 1 9 9 ARG HG2 H 1 1.749 0.002 . . . . . A 9 ARG HG2 . 11595 1 61 . 1 1 9 9 ARG HG3 H 1 1.749 0.002 . . . . . A 9 ARG HG3 . 11595 1 62 . 1 1 9 9 ARG HD2 H 1 3.163 0.002 . . . . . A 9 ARG HD2 . 11595 1 63 . 1 1 9 9 ARG HD3 H 1 3.163 0.002 . . . . . A 9 ARG HD3 . 11595 1 64 . 1 1 9 9 ARG CA C 13 58.773 0.082 . . . . . A 9 ARG CA . 11595 1 65 . 1 1 9 9 ARG CB C 13 29.524 0.182 . . . . . A 9 ARG CB . 11595 1 66 . 1 1 9 9 ARG CG C 13 26.764 0.023 . . . . . A 9 ARG CG . 11595 1 67 . 1 1 9 9 ARG CD C 13 42.892 0.042 . . . . . A 9 ARG CD . 11595 1 68 . 1 1 9 9 ARG N N 15 116.604 0.104 . . . . . A 9 ARG N . 11595 1 69 . 1 1 10 10 LYS H H 1 7.681 0.023 . . . . . A 10 LYS H . 11595 1 70 . 1 1 10 10 LYS HA H 1 4.119 0.007 . . . . . A 10 LYS HA . 11595 1 71 . 1 1 10 10 LYS HB2 H 1 2.016 0.001 . . . . . A 10 LYS HB2 . 11595 1 72 . 1 1 10 10 LYS HB3 H 1 1.819 0.002 . . . . . A 10 LYS HB3 . 11595 1 73 . 1 1 10 10 LYS HG2 H 1 1.492 0.002 . . . . . A 10 LYS HG2 . 11595 1 74 . 1 1 10 10 LYS HG3 H 1 1.694 0.012 . . . . . A 10 LYS HG3 . 11595 1 75 . 1 1 10 10 LYS HE2 H 1 2.950 0.001 . . . . . A 10 LYS HE2 . 11595 1 76 . 1 1 10 10 LYS HE3 H 1 3.166 0.002 . . . . . A 10 LYS HE3 . 11595 1 77 . 1 1 10 10 LYS CA C 13 59.679 0.101 . . . . . A 10 LYS CA . 11595 1 78 . 1 1 10 10 LYS CB C 13 32.831 0.200 . . . . . A 10 LYS CB . 11595 1 79 . 1 1 10 10 LYS CG C 13 25.621 0.259 . . . . . A 10 LYS CG . 11595 1 80 . 1 1 10 10 LYS CD C 13 29.347 0.005 . . . . . A 10 LYS CD . 11595 1 81 . 1 1 10 10 LYS CE C 13 42.029 0.045 . . . . . A 10 LYS CE . 11595 1 82 . 1 1 10 10 LYS N N 15 119.137 0.066 . . . . . A 10 LYS N . 11595 1 83 . 1 1 11 11 ILE H H 1 7.709 0.002 . . . . . A 11 ILE H . 11595 1 84 . 1 1 11 11 ILE HA H 1 3.411 0.006 . . . . . A 11 ILE HA . 11595 1 85 . 1 1 11 11 ILE HB H 1 1.830 0.002 . . . . . A 11 ILE HB . 11595 1 86 . 1 1 11 11 ILE HG12 H 1 1.674 0.002 . . . . . A 11 ILE HG12 . 11595 1 87 . 1 1 11 11 ILE HG13 H 1 1.674 0.002 . . . . . A 11 ILE HG13 . 11595 1 88 . 1 1 11 11 ILE HG21 H 1 0.748 0.007 . . . . . A 11 ILE HG21 . 11595 1 89 . 1 1 11 11 ILE HG22 H 1 0.748 0.007 . . . . . A 11 ILE HG22 . 11595 1 90 . 1 1 11 11 ILE HG23 H 1 0.748 0.007 . . . . . A 11 ILE HG23 . 11595 1 91 . 1 1 11 11 ILE HD11 H 1 0.624 0.006 . . . . . A 11 ILE HD11 . 11595 1 92 . 1 1 11 11 ILE HD12 H 1 0.624 0.006 . . . . . A 11 ILE HD12 . 11595 1 93 . 1 1 11 11 ILE HD13 H 1 0.624 0.006 . . . . . A 11 ILE HD13 . 11595 1 94 . 1 1 11 11 ILE CA C 13 66.271 0.096 . . . . . A 11 ILE CA . 11595 1 95 . 1 1 11 11 ILE CB C 13 38.204 0.024 . . . . . A 11 ILE CB . 11595 1 96 . 1 1 11 11 ILE CG1 C 13 30.057 0.005 . . . . . A 11 ILE CG1 . 11595 1 97 . 1 1 11 11 ILE CD1 C 13 14.928 0.005 . . . . . A 11 ILE CD1 . 11595 1 98 . 1 1 11 11 ILE N N 15 121.244 0.055 . . . . . A 11 ILE N . 11595 1 99 . 1 1 12 12 ILE H H 1 8.029 0.006 . . . . . A 12 ILE H . 11595 1 100 . 1 1 12 12 ILE HA H 1 3.604 0.002 . . . . . A 12 ILE HA . 11595 1 101 . 1 1 12 12 ILE HB H 1 2.014 0.005 . . . . . A 12 ILE HB . 11595 1 102 . 1 1 12 12 ILE HG12 H 1 1.246 0.003 . . . . . A 12 ILE HG12 . 11595 1 103 . 1 1 12 12 ILE HG13 H 1 1.557 0.010 . . . . . A 12 ILE HG13 . 11595 1 104 . 1 1 12 12 ILE HG21 H 1 0.957 0.001 . . . . . A 12 ILE HG21 . 11595 1 105 . 1 1 12 12 ILE HG22 H 1 0.957 0.001 . . . . . A 12 ILE HG22 . 11595 1 106 . 1 1 12 12 ILE HG23 H 1 0.957 0.001 . . . . . A 12 ILE HG23 . 11595 1 107 . 1 1 12 12 ILE HD11 H 1 0.733 0.004 . . . . . A 12 ILE HD11 . 11595 1 108 . 1 1 12 12 ILE HD12 H 1 0.733 0.004 . . . . . A 12 ILE HD12 . 11595 1 109 . 1 1 12 12 ILE HD13 H 1 0.733 0.004 . . . . . A 12 ILE HD13 . 11595 1 110 . 1 1 12 12 ILE CA C 13 64.515 0.125 . . . . . A 12 ILE CA . 11595 1 111 . 1 1 12 12 ILE CB C 13 37.198 0.195 . . . . . A 12 ILE CB . 11595 1 112 . 1 1 12 12 ILE CG1 C 13 28.307 0.170 . . . . . A 12 ILE CG1 . 11595 1 113 . 1 1 12 12 ILE CD1 C 13 12.277 0.128 . . . . . A 12 ILE CD1 . 11595 1 114 . 1 1 12 12 ILE N N 15 120.829 0.067 . . . . . A 12 ILE N . 11595 1 115 . 1 1 13 13 ASP H H 1 8.645 0.003 . . . . . A 13 ASP H . 11595 1 116 . 1 1 13 13 ASP HA H 1 4.362 0.003 . . . . . A 13 ASP HA . 11595 1 117 . 1 1 13 13 ASP HB2 H 1 2.602 0.003 . . . . . A 13 ASP HB2 . 11595 1 118 . 1 1 13 13 ASP HB3 H 1 2.782 0.004 . . . . . A 13 ASP HB3 . 11595 1 119 . 1 1 13 13 ASP CA C 13 57.822 0.002 . . . . . A 13 ASP CA . 11595 1 120 . 1 1 13 13 ASP CB C 13 40.622 0.045 . . . . . A 13 ASP CB . 11595 1 121 . 1 1 13 13 ASP N N 15 118.931 0.076 . . . . . A 13 ASP N . 11595 1 122 . 1 1 14 14 PHE H H 1 8.066 0.004 . . . . . A 14 PHE H . 11595 1 123 . 1 1 14 14 PHE HA H 1 4.076 0.003 . . . . . A 14 PHE HA . 11595 1 124 . 1 1 14 14 PHE HB2 H 1 3.152 0.006 . . . . . A 14 PHE HB2 . 11595 1 125 . 1 1 14 14 PHE HB3 H 1 3.276 0.003 . . . . . A 14 PHE HB3 . 11595 1 126 . 1 1 14 14 PHE HD1 H 1 7.067 0.008 . . . . . A 14 PHE HD1 . 11595 1 127 . 1 1 14 14 PHE HD2 H 1 7.067 0.008 . . . . . A 14 PHE HD2 . 11595 1 128 . 1 1 14 14 PHE HE1 H 1 7.272 0.001 . . . . . A 14 PHE HE1 . 11595 1 129 . 1 1 14 14 PHE HE2 H 1 7.272 0.001 . . . . . A 14 PHE HE2 . 11595 1 130 . 1 1 14 14 PHE CA C 13 62.790 0.006 . . . . . A 14 PHE CA . 11595 1 131 . 1 1 14 14 PHE CB C 13 39.346 0.010 . . . . . A 14 PHE CB . 11595 1 132 . 1 1 14 14 PHE N N 15 121.052 0.039 . . . . . A 14 PHE N . 11595 1 133 . 1 1 15 15 LEU H H 1 8.354 0.001 . . . . . A 15 LEU H . 11595 1 134 . 1 1 15 15 LEU HA H 1 4.117 0.009 . . . . . A 15 LEU HA . 11595 1 135 . 1 1 15 15 LEU HB2 H 1 1.325 0.012 . . . . . A 15 LEU HB2 . 11595 1 136 . 1 1 15 15 LEU HB3 H 1 2.105 0.006 . . . . . A 15 LEU HB3 . 11595 1 137 . 1 1 15 15 LEU HG H 1 1.975 0.004 . . . . . A 15 LEU HG . 11595 1 138 . 1 1 15 15 LEU HD11 H 1 1.026 0.001 . . . . . A 15 LEU HD11 . 11595 1 139 . 1 1 15 15 LEU HD12 H 1 1.026 0.001 . . . . . A 15 LEU HD12 . 11595 1 140 . 1 1 15 15 LEU HD13 H 1 1.026 0.001 . . . . . A 15 LEU HD13 . 11595 1 141 . 1 1 15 15 LEU HD21 H 1 0.658 0.008 . . . . . A 15 LEU HD21 . 11595 1 142 . 1 1 15 15 LEU HD22 H 1 0.658 0.008 . . . . . A 15 LEU HD22 . 11595 1 143 . 1 1 15 15 LEU HD23 H 1 0.658 0.008 . . . . . A 15 LEU HD23 . 11595 1 144 . 1 1 15 15 LEU CA C 13 57.552 0.115 . . . . . A 15 LEU CA . 11595 1 145 . 1 1 15 15 LEU CB C 13 42.400 0.128 . . . . . A 15 LEU CB . 11595 1 146 . 1 1 15 15 LEU CG C 13 26.123 0.005 . . . . . A 15 LEU CG . 11595 1 147 . 1 1 15 15 LEU CD1 C 13 23.035 0.005 . . . . . A 15 LEU CD1 . 11595 1 148 . 1 1 15 15 LEU N N 15 121.103 0.056 . . . . . A 15 LEU N . 11595 1 149 . 1 1 16 16 ARG H H 1 8.934 0.004 . . . . . A 16 ARG H . 11595 1 150 . 1 1 16 16 ARG HA H 1 3.838 0.003 . . . . . A 16 ARG HA . 11595 1 151 . 1 1 16 16 ARG HB2 H 1 1.963 0.002 . . . . . A 16 ARG HB2 . 11595 1 152 . 1 1 16 16 ARG HB3 H 1 1.963 0.002 . . . . . A 16 ARG HB3 . 11595 1 153 . 1 1 16 16 ARG HG2 H 1 1.590 0.002 . . . . . A 16 ARG HG2 . 11595 1 154 . 1 1 16 16 ARG HG3 H 1 1.715 0.002 . . . . . A 16 ARG HG3 . 11595 1 155 . 1 1 16 16 ARG HD2 H 1 3.230 0.002 . . . . . A 16 ARG HD2 . 11595 1 156 . 1 1 16 16 ARG HD3 H 1 3.230 0.002 . . . . . A 16 ARG HD3 . 11595 1 157 . 1 1 16 16 ARG CA C 13 60.058 0.094 . . . . . A 16 ARG CA . 11595 1 158 . 1 1 16 16 ARG CB C 13 30.155 0.138 . . . . . A 16 ARG CB . 11595 1 159 . 1 1 16 16 ARG CG C 13 27.795 0.005 . . . . . A 16 ARG CG . 11595 1 160 . 1 1 16 16 ARG CD C 13 43.019 0.017 . . . . . A 16 ARG CD . 11595 1 161 . 1 1 16 16 ARG N N 15 122.293 0.088 . . . . . A 16 ARG N . 11595 1 162 . 1 1 17 17 GLN H H 1 7.709 0.005 . . . . . A 17 GLN H . 11595 1 163 . 1 1 17 17 GLN HA H 1 4.092 0.012 . . . . . A 17 GLN HA . 11595 1 164 . 1 1 17 17 GLN HB2 H 1 1.934 0.009 . . . . . A 17 GLN HB2 . 11595 1 165 . 1 1 17 17 GLN HB3 H 1 1.934 0.009 . . . . . A 17 GLN HB3 . 11595 1 166 . 1 1 17 17 GLN HG2 H 1 2.341 0.013 . . . . . A 17 GLN HG2 . 11595 1 167 . 1 1 17 17 GLN HG3 H 1 2.341 0.013 . . . . . A 17 GLN HG3 . 11595 1 168 . 1 1 17 17 GLN HE21 H 1 6.795 0.002 . . . . . A 17 GLN HE21 . 11595 1 169 . 1 1 17 17 GLN HE22 H 1 7.411 0.001 . . . . . A 17 GLN HE22 . 11595 1 170 . 1 1 17 17 GLN CA C 13 57.884 0.026 . . . . . A 17 GLN CA . 11595 1 171 . 1 1 17 17 GLN CB C 13 29.977 0.038 . . . . . A 17 GLN CB . 11595 1 172 . 1 1 17 17 GLN N N 15 115.029 0.124 . . . . . A 17 GLN N . 11595 1 173 . 1 1 17 17 GLN NE2 N 15 111.581 0.040 . . . . . A 17 GLN NE2 . 11595 1 174 . 1 1 18 18 ASN H H 1 8.310 0.005 . . . . . A 18 ASN H . 11595 1 175 . 1 1 18 18 ASN HA H 1 4.488 0.004 . . . . . A 18 ASN HA . 11595 1 176 . 1 1 18 18 ASN HB2 H 1 2.138 0.005 . . . . . A 18 ASN HB2 . 11595 1 177 . 1 1 18 18 ASN HB3 H 1 1.623 0.005 . . . . . A 18 ASN HB3 . 11595 1 178 . 1 1 18 18 ASN HD21 H 1 6.120 0.003 . . . . . A 18 ASN HD21 . 11595 1 179 . 1 1 18 18 ASN HD22 H 1 6.954 0.002 . . . . . A 18 ASN HD22 . 11595 1 180 . 1 1 18 18 ASN CA C 13 54.530 0.134 . . . . . A 18 ASN CA . 11595 1 181 . 1 1 18 18 ASN CB C 13 41.068 0.112 . . . . . A 18 ASN CB . 11595 1 182 . 1 1 18 18 ASN N N 15 114.527 0.100 . . . . . A 18 ASN N . 11595 1 183 . 1 1 18 18 ASN ND2 N 15 117.713 0.082 . . . . . A 18 ASN ND2 . 11595 1 184 . 1 1 19 19 GLY H H 1 7.933 0.003 . . . . . A 19 GLY H . 11595 1 185 . 1 1 19 19 GLY HA2 H 1 3.909 0.003 . . . . . A 19 GLY HA2 . 11595 1 186 . 1 1 19 19 GLY HA3 H 1 4.210 0.004 . . . . . A 19 GLY HA3 . 11595 1 187 . 1 1 19 19 GLY CA C 13 44.385 0.054 . . . . . A 19 GLY CA . 11595 1 188 . 1 1 19 19 GLY N N 15 109.469 0.160 . . . . . A 19 GLY N . 11595 1 189 . 1 1 20 20 LYS H H 1 7.941 0.006 . . . . . A 20 LYS H . 11595 1 190 . 1 1 20 20 LYS HA H 1 4.647 0.003 . . . . . A 20 LYS HA . 11595 1 191 . 1 1 20 20 LYS HB2 H 1 1.642 0.006 . . . . . A 20 LYS HB2 . 11595 1 192 . 1 1 20 20 LYS HB3 H 1 1.642 0.006 . . . . . A 20 LYS HB3 . 11595 1 193 . 1 1 20 20 LYS HG2 H 1 1.447 0.007 . . . . . A 20 LYS HG2 . 11595 1 194 . 1 1 20 20 LYS HG3 H 1 1.447 0.007 . . . . . A 20 LYS HG3 . 11595 1 195 . 1 1 20 20 LYS HD2 H 1 1.258 0.002 . . . . . A 20 LYS HD2 . 11595 1 196 . 1 1 20 20 LYS HD3 H 1 1.258 0.002 . . . . . A 20 LYS HD3 . 11595 1 197 . 1 1 20 20 LYS HE2 H 1 2.989 0.002 . . . . . A 20 LYS HE2 . 11595 1 198 . 1 1 20 20 LYS HE3 H 1 2.989 0.002 . . . . . A 20 LYS HE3 . 11595 1 199 . 1 1 20 20 LYS CA C 13 56.847 0.058 . . . . . A 20 LYS CA . 11595 1 200 . 1 1 20 20 LYS CB C 13 32.271 0.005 . . . . . A 20 LYS CB . 11595 1 201 . 1 1 20 20 LYS N N 15 117.664 0.036 . . . . . A 20 LYS N . 11595 1 202 . 1 1 21 21 SER H H 1 8.780 0.003 . . . . . A 21 SER H . 11595 1 203 . 1 1 21 21 SER HA H 1 5.232 0.004 . . . . . A 21 SER HA . 11595 1 204 . 1 1 21 21 SER HB2 H 1 3.881 0.003 . . . . . A 21 SER HB2 . 11595 1 205 . 1 1 21 21 SER HB3 H 1 3.670 0.005 . . . . . A 21 SER HB3 . 11595 1 206 . 1 1 21 21 SER CA C 13 58.464 0.156 . . . . . A 21 SER CA . 11595 1 207 . 1 1 21 21 SER CB C 13 69.153 0.071 . . . . . A 21 SER CB . 11595 1 208 . 1 1 21 21 SER N N 15 117.273 0.055 . . . . . A 21 SER N . 11595 1 209 . 1 1 22 22 ILE H H 1 8.548 0.005 . . . . . A 22 ILE H . 11595 1 210 . 1 1 22 22 ILE HA H 1 4.295 0.002 . . . . . A 22 ILE HA . 11595 1 211 . 1 1 22 22 ILE HG12 H 1 1.425 0.002 . . . . . A 22 ILE HG12 . 11595 1 212 . 1 1 22 22 ILE HG13 H 1 1.425 0.002 . . . . . A 22 ILE HG13 . 11595 1 213 . 1 1 22 22 ILE HG21 H 1 1.024 0.002 . . . . . A 22 ILE HG21 . 11595 1 214 . 1 1 22 22 ILE HG22 H 1 1.024 0.002 . . . . . A 22 ILE HG22 . 11595 1 215 . 1 1 22 22 ILE HG23 H 1 1.024 0.002 . . . . . A 22 ILE HG23 . 11595 1 216 . 1 1 22 22 ILE HD11 H 1 0.748 0.002 . . . . . A 22 ILE HD11 . 11595 1 217 . 1 1 22 22 ILE HD12 H 1 0.748 0.002 . . . . . A 22 ILE HD12 . 11595 1 218 . 1 1 22 22 ILE HD13 H 1 0.748 0.002 . . . . . A 22 ILE HD13 . 11595 1 219 . 1 1 22 22 ILE CA C 13 61.026 0.002 . . . . . A 22 ILE CA . 11595 1 220 . 1 1 22 22 ILE CB C 13 39.422 0.002 . . . . . A 22 ILE CB . 11595 1 221 . 1 1 22 22 ILE N N 15 117.965 0.044 . . . . . A 22 ILE N . 11595 1 222 . 1 1 23 23 ALA H H 1 9.924 0.003 . . . . . A 23 ALA H . 11595 1 223 . 1 1 23 23 ALA HA H 1 3.759 0.007 . . . . . A 23 ALA HA . 11595 1 224 . 1 1 23 23 ALA HB1 H 1 1.401 0.005 . . . . . A 23 ALA HB1 . 11595 1 225 . 1 1 23 23 ALA HB2 H 1 1.401 0.005 . . . . . A 23 ALA HB2 . 11595 1 226 . 1 1 23 23 ALA HB3 H 1 1.401 0.005 . . . . . A 23 ALA HB3 . 11595 1 227 . 1 1 23 23 ALA CA C 13 56.410 0.053 . . . . . A 23 ALA CA . 11595 1 228 . 1 1 23 23 ALA CB C 13 18.996 0.040 . . . . . A 23 ALA CB . 11595 1 229 . 1 1 23 23 ALA N N 15 126.307 0.162 . . . . . A 23 ALA N . 11595 1 230 . 1 1 24 24 LEU H H 1 8.705 0.003 . . . . . A 24 LEU H . 11595 1 231 . 1 1 24 24 LEU HA H 1 3.871 0.004 . . . . . A 24 LEU HA . 11595 1 232 . 1 1 24 24 LEU HB2 H 1 1.623 0.002 . . . . . A 24 LEU HB2 . 11595 1 233 . 1 1 24 24 LEU HB3 H 1 1.662 0.008 . . . . . A 24 LEU HB3 . 11595 1 234 . 1 1 24 24 LEU HG H 1 1.011 0.002 . . . . . A 24 LEU HG . 11595 1 235 . 1 1 24 24 LEU HD11 H 1 0.633 0.002 . . . . . A 24 LEU HD11 . 11595 1 236 . 1 1 24 24 LEU HD12 H 1 0.633 0.002 . . . . . A 24 LEU HD12 . 11595 1 237 . 1 1 24 24 LEU HD13 H 1 0.633 0.002 . . . . . A 24 LEU HD13 . 11595 1 238 . 1 1 24 24 LEU HD21 H 1 0.774 0.003 . . . . . A 24 LEU HD21 . 11595 1 239 . 1 1 24 24 LEU HD22 H 1 0.774 0.003 . . . . . A 24 LEU HD22 . 11595 1 240 . 1 1 24 24 LEU HD23 H 1 0.774 0.003 . . . . . A 24 LEU HD23 . 11595 1 241 . 1 1 24 24 LEU CA C 13 58.778 0.004 . . . . . A 24 LEU CA . 11595 1 242 . 1 1 24 24 LEU CB C 13 42.894 0.014 . . . . . A 24 LEU CB . 11595 1 243 . 1 1 24 24 LEU N N 15 116.933 0.054 . . . . . A 24 LEU N . 11595 1 244 . 1 1 25 25 THR H H 1 6.930 0.006 . . . . . A 25 THR H . 11595 1 245 . 1 1 25 25 THR HA H 1 3.867 0.006 . . . . . A 25 THR HA . 11595 1 246 . 1 1 25 25 THR HB H 1 4.297 0.003 . . . . . A 25 THR HB . 11595 1 247 . 1 1 25 25 THR HG1 H 1 5.236 0.002 . . . . . A 25 THR HG1 . 11595 1 248 . 1 1 25 25 THR HG21 H 1 1.409 0.007 . . . . . A 25 THR HG21 . 11595 1 249 . 1 1 25 25 THR HG22 H 1 1.409 0.007 . . . . . A 25 THR HG22 . 11595 1 250 . 1 1 25 25 THR HG23 H 1 1.409 0.007 . . . . . A 25 THR HG23 . 11595 1 251 . 1 1 25 25 THR CA C 13 66.066 0.032 . . . . . A 25 THR CA . 11595 1 252 . 1 1 25 25 THR CB C 13 69.173 0.179 . . . . . A 25 THR CB . 11595 1 253 . 1 1 25 25 THR CG2 C 13 22.731 0.214 . . . . . A 25 THR CG2 . 11595 1 254 . 1 1 25 25 THR N N 15 115.406 0.074 . . . . . A 25 THR N . 11595 1 255 . 1 1 26 26 ILE H H 1 7.160 0.002 . . . . . A 26 ILE H . 11595 1 256 . 1 1 26 26 ILE HA H 1 3.788 0.070 . . . . . A 26 ILE HA . 11595 1 257 . 1 1 26 26 ILE HB H 1 1.697 0.009 . . . . . A 26 ILE HB . 11595 1 258 . 1 1 26 26 ILE HG12 H 1 1.747 0.002 . . . . . A 26 ILE HG12 . 11595 1 259 . 1 1 26 26 ILE HG13 H 1 0.784 0.005 . . . . . A 26 ILE HG13 . 11595 1 260 . 1 1 26 26 ILE HG21 H 1 0.476 0.006 . . . . . A 26 ILE HG21 . 11595 1 261 . 1 1 26 26 ILE HG22 H 1 0.476 0.006 . . . . . A 26 ILE HG22 . 11595 1 262 . 1 1 26 26 ILE HG23 H 1 0.476 0.006 . . . . . A 26 ILE HG23 . 11595 1 263 . 1 1 26 26 ILE HD11 H 1 0.633 0.003 . . . . . A 26 ILE HD11 . 11595 1 264 . 1 1 26 26 ILE HD12 H 1 0.633 0.003 . . . . . A 26 ILE HD12 . 11595 1 265 . 1 1 26 26 ILE HD13 H 1 0.633 0.003 . . . . . A 26 ILE HD13 . 11595 1 266 . 1 1 26 26 ILE CA C 13 65.394 0.012 . . . . . A 26 ILE CA . 11595 1 267 . 1 1 26 26 ILE CB C 13 38.824 0.084 . . . . . A 26 ILE CB . 11595 1 268 . 1 1 26 26 ILE CG1 C 13 27.410 0.246 . . . . . A 26 ILE CG1 . 11595 1 269 . 1 1 26 26 ILE CG2 C 13 18.012 0.223 . . . . . A 26 ILE CG2 . 11595 1 270 . 1 1 26 26 ILE CD1 C 13 13.959 0.049 . . . . . A 26 ILE CD1 . 11595 1 271 . 1 1 26 26 ILE N N 15 119.577 0.040 . . . . . A 26 ILE N . 11595 1 272 . 1 1 27 27 ALA H H 1 8.301 0.003 . . . . . A 27 ALA H . 11595 1 273 . 1 1 27 27 ALA HA H 1 3.577 0.004 . . . . . A 27 ALA HA . 11595 1 274 . 1 1 27 27 ALA HB1 H 1 1.349 0.005 . . . . . A 27 ALA HB1 . 11595 1 275 . 1 1 27 27 ALA HB2 H 1 1.349 0.005 . . . . . A 27 ALA HB2 . 11595 1 276 . 1 1 27 27 ALA HB3 H 1 1.349 0.005 . . . . . A 27 ALA HB3 . 11595 1 277 . 1 1 27 27 ALA CA C 13 56.054 0.144 . . . . . A 27 ALA CA . 11595 1 278 . 1 1 27 27 ALA CB C 13 17.715 0.178 . . . . . A 27 ALA CB . 11595 1 279 . 1 1 27 27 ALA N N 15 118.316 0.097 . . . . . A 27 ALA N . 11595 1 280 . 1 1 28 28 LYS H H 1 7.791 0.004 . . . . . A 28 LYS H . 11595 1 281 . 1 1 28 28 LYS HA H 1 3.971 0.004 . . . . . A 28 LYS HA . 11595 1 282 . 1 1 28 28 LYS HB2 H 1 1.951 0.008 . . . . . A 28 LYS HB2 . 11595 1 283 . 1 1 28 28 LYS HB3 H 1 1.951 0.008 . . . . . A 28 LYS HB3 . 11595 1 284 . 1 1 28 28 LYS HG2 H 1 1.415 0.002 . . . . . A 28 LYS HG2 . 11595 1 285 . 1 1 28 28 LYS HG3 H 1 1.415 0.002 . . . . . A 28 LYS HG3 . 11595 1 286 . 1 1 28 28 LYS CA C 13 59.108 0.106 . . . . . A 28 LYS CA . 11595 1 287 . 1 1 28 28 LYS CB C 13 32.808 0.139 . . . . . A 28 LYS CB . 11595 1 288 . 1 1 28 28 LYS N N 15 116.377 0.059 . . . . . A 28 LYS N . 11595 1 289 . 1 1 29 29 GLU H H 1 7.699 0.001 . . . . . A 29 GLU H . 11595 1 290 . 1 1 29 29 GLU HA H 1 4.151 0.010 . . . . . A 29 GLU HA . 11595 1 291 . 1 1 29 29 GLU HB2 H 1 1.651 0.003 . . . . . A 29 GLU HB2 . 11595 1 292 . 1 1 29 29 GLU HB3 H 1 1.982 0.013 . . . . . A 29 GLU HB3 . 11595 1 293 . 1 1 29 29 GLU HG2 H 1 2.425 0.006 . . . . . A 29 GLU HG2 . 11595 1 294 . 1 1 29 29 GLU HG3 H 1 2.425 0.006 . . . . . A 29 GLU HG3 . 11595 1 295 . 1 1 29 29 GLU CA C 13 58.624 0.035 . . . . . A 29 GLU CA . 11595 1 296 . 1 1 29 29 GLU CB C 13 30.296 0.123 . . . . . A 29 GLU CB . 11595 1 297 . 1 1 29 29 GLU CG C 13 36.047 0.230 . . . . . A 29 GLU CG . 11595 1 298 . 1 1 29 29 GLU N N 15 116.890 0.074 . . . . . A 29 GLU N . 11595 1 299 . 1 1 30 30 ILE H H 1 7.942 0.002 . . . . . A 30 ILE H . 11595 1 300 . 1 1 30 30 ILE HA H 1 4.403 0.002 . . . . . A 30 ILE HA . 11595 1 301 . 1 1 30 30 ILE HB H 1 1.872 0.003 . . . . . A 30 ILE HB . 11595 1 302 . 1 1 30 30 ILE HG12 H 1 1.098 0.006 . . . . . A 30 ILE HG12 . 11595 1 303 . 1 1 30 30 ILE HG13 H 1 1.313 0.008 . . . . . A 30 ILE HG13 . 11595 1 304 . 1 1 30 30 ILE HG21 H 1 0.755 0.005 . . . . . A 30 ILE HG21 . 11595 1 305 . 1 1 30 30 ILE HG22 H 1 0.755 0.005 . . . . . A 30 ILE HG22 . 11595 1 306 . 1 1 30 30 ILE HG23 H 1 0.755 0.005 . . . . . A 30 ILE HG23 . 11595 1 307 . 1 1 30 30 ILE HD11 H 1 0.525 0.006 . . . . . A 30 ILE HD11 . 11595 1 308 . 1 1 30 30 ILE HD12 H 1 0.525 0.006 . . . . . A 30 ILE HD12 . 11595 1 309 . 1 1 30 30 ILE HD13 H 1 0.525 0.006 . . . . . A 30 ILE HD13 . 11595 1 310 . 1 1 30 30 ILE CA C 13 61.564 0.124 . . . . . A 30 ILE CA . 11595 1 311 . 1 1 30 30 ILE CB C 13 38.507 0.201 . . . . . A 30 ILE CB . 11595 1 312 . 1 1 30 30 ILE CG1 C 13 26.010 0.177 . . . . . A 30 ILE CG1 . 11595 1 313 . 1 1 30 30 ILE CG2 C 13 16.788 0.206 . . . . . A 30 ILE CG2 . 11595 1 314 . 1 1 30 30 ILE CD1 C 13 15.184 0.216 . . . . . A 30 ILE CD1 . 11595 1 315 . 1 1 30 30 ILE N N 15 111.697 0.161 . . . . . A 30 ILE N . 11595 1 316 . 1 1 31 31 GLY H H 1 7.686 0.003 . . . . . A 31 GLY H . 11595 1 317 . 1 1 31 31 GLY HA2 H 1 3.818 0.003 . . . . . A 31 GLY HA2 . 11595 1 318 . 1 1 31 31 GLY HA3 H 1 3.993 0.007 . . . . . A 31 GLY HA3 . 11595 1 319 . 1 1 31 31 GLY CA C 13 46.907 0.051 . . . . . A 31 GLY CA . 11595 1 320 . 1 1 31 31 GLY N N 15 110.145 0.183 . . . . . A 31 GLY N . 11595 1 321 . 1 1 32 32 LEU H H 1 7.750 0.001 . . . . . A 32 LEU H . 11595 1 322 . 1 1 32 32 LEU HA H 1 3.578 0.002 . . . . . A 32 LEU HA . 11595 1 323 . 1 1 32 32 LEU HB2 H 1 1.204 0.003 . . . . . A 32 LEU HB2 . 11595 1 324 . 1 1 32 32 LEU HB3 H 1 1.486 0.011 . . . . . A 32 LEU HB3 . 11595 1 325 . 1 1 32 32 LEU HG H 1 1.534 0.010 . . . . . A 32 LEU HG . 11595 1 326 . 1 1 32 32 LEU HD11 H 1 0.825 0.003 . . . . . A 32 LEU HD11 . 11595 1 327 . 1 1 32 32 LEU HD12 H 1 0.825 0.003 . . . . . A 32 LEU HD12 . 11595 1 328 . 1 1 32 32 LEU HD13 H 1 0.825 0.003 . . . . . A 32 LEU HD13 . 11595 1 329 . 1 1 32 32 LEU HD21 H 1 0.941 0.003 . . . . . A 32 LEU HD21 . 11595 1 330 . 1 1 32 32 LEU HD22 H 1 0.941 0.003 . . . . . A 32 LEU HD22 . 11595 1 331 . 1 1 32 32 LEU HD23 H 1 0.941 0.003 . . . . . A 32 LEU HD23 . 11595 1 332 . 1 1 32 32 LEU CA C 13 52.563 0.182 . . . . . A 32 LEU CA . 11595 1 333 . 1 1 32 32 LEU CB C 13 47.401 0.170 . . . . . A 32 LEU CB . 11595 1 334 . 1 1 32 32 LEU CG C 13 27.119 0.055 . . . . . A 32 LEU CG . 11595 1 335 . 1 1 32 32 LEU CD1 C 13 25.208 0.007 . . . . . A 32 LEU CD1 . 11595 1 336 . 1 1 32 32 LEU CD2 C 13 23.559 0.087 . . . . . A 32 LEU CD2 . 11595 1 337 . 1 1 32 32 LEU N N 15 120.320 0.048 . . . . . A 32 LEU N . 11595 1 338 . 1 1 33 33 ASP H H 1 8.044 0.003 . . . . . A 33 ASP H . 11595 1 339 . 1 1 33 33 ASP HA H 1 4.576 0.002 . . . . . A 33 ASP HA . 11595 1 340 . 1 1 33 33 ASP HB2 H 1 2.666 0.001 . . . . . A 33 ASP HB2 . 11595 1 341 . 1 1 33 33 ASP HB3 H 1 2.851 0.007 . . . . . A 33 ASP HB3 . 11595 1 342 . 1 1 33 33 ASP CA C 13 53.672 0.116 . . . . . A 33 ASP CA . 11595 1 343 . 1 1 33 33 ASP CB C 13 42.421 0.078 . . . . . A 33 ASP CB . 11595 1 344 . 1 1 33 33 ASP N N 15 118.181 0.016 . . . . . A 33 ASP N . 11595 1 345 . 1 1 34 34 LYS H H 1 8.875 0.002 . . . . . A 34 LYS H . 11595 1 346 . 1 1 34 34 LYS HA H 1 3.588 0.005 . . . . . A 34 LYS HA . 11595 1 347 . 1 1 34 34 LYS HB2 H 1 1.776 0.002 . . . . . A 34 LYS HB2 . 11595 1 348 . 1 1 34 34 LYS HB3 H 1 1.776 0.002 . . . . . A 34 LYS HB3 . 11595 1 349 . 1 1 34 34 LYS HG2 H 1 1.388 0.002 . . . . . A 34 LYS HG2 . 11595 1 350 . 1 1 34 34 LYS HG3 H 1 1.388 0.002 . . . . . A 34 LYS HG3 . 11595 1 351 . 1 1 34 34 LYS CA C 13 60.635 0.161 . . . . . A 34 LYS CA . 11595 1 352 . 1 1 34 34 LYS CB C 13 32.271 0.021 . . . . . A 34 LYS CB . 11595 1 353 . 1 1 34 34 LYS CG C 13 24.422 0.005 . . . . . A 34 LYS CG . 11595 1 354 . 1 1 34 34 LYS N N 15 122.963 0.024 . . . . . A 34 LYS N . 11595 1 355 . 1 1 35 35 SER H H 1 8.534 0.003 . . . . . A 35 SER H . 11595 1 356 . 1 1 35 35 SER HA H 1 3.933 0.005 . . . . . A 35 SER HA . 11595 1 357 . 1 1 35 35 SER HB2 H 1 4.241 0.007 . . . . . A 35 SER HB2 . 11595 1 358 . 1 1 35 35 SER HB3 H 1 4.241 0.007 . . . . . A 35 SER HB3 . 11595 1 359 . 1 1 35 35 SER CA C 13 59.988 0.005 . . . . . A 35 SER CA . 11595 1 360 . 1 1 35 35 SER CB C 13 62.126 0.083 . . . . . A 35 SER CB . 11595 1 361 . 1 1 35 35 SER N N 15 114.542 0.105 . . . . . A 35 SER N . 11595 1 362 . 1 1 36 36 THR H H 1 7.862 0.002 . . . . . A 36 THR H . 11595 1 363 . 1 1 36 36 THR HA H 1 3.812 0.009 . . . . . A 36 THR HA . 11595 1 364 . 1 1 36 36 THR HB H 1 4.202 0.004 . . . . . A 36 THR HB . 11595 1 365 . 1 1 36 36 THR HG21 H 1 1.283 0.004 . . . . . A 36 THR HG21 . 11595 1 366 . 1 1 36 36 THR HG22 H 1 1.283 0.004 . . . . . A 36 THR HG22 . 11595 1 367 . 1 1 36 36 THR HG23 H 1 1.283 0.004 . . . . . A 36 THR HG23 . 11595 1 368 . 1 1 36 36 THR CA C 13 66.786 0.066 . . . . . A 36 THR CA . 11595 1 369 . 1 1 36 36 THR CB C 13 68.266 0.394 . . . . . A 36 THR CB . 11595 1 370 . 1 1 36 36 THR CG2 C 13 22.857 0.005 . . . . . A 36 THR CG2 . 11595 1 371 . 1 1 36 36 THR N N 15 121.734 0.091 . . . . . A 36 THR N . 11595 1 372 . 1 1 37 37 VAL H H 1 7.866 0.004 . . . . . A 37 VAL H . 11595 1 373 . 1 1 37 37 VAL HA H 1 3.376 0.002 . . . . . A 37 VAL HA . 11595 1 374 . 1 1 37 37 VAL HB H 1 1.965 0.002 . . . . . A 37 VAL HB . 11595 1 375 . 1 1 37 37 VAL HG11 H 1 0.758 0.001 . . . . . A 37 VAL HG11 . 11595 1 376 . 1 1 37 37 VAL HG12 H 1 0.758 0.001 . . . . . A 37 VAL HG12 . 11595 1 377 . 1 1 37 37 VAL HG13 H 1 0.758 0.001 . . . . . A 37 VAL HG13 . 11595 1 378 . 1 1 37 37 VAL HG21 H 1 0.772 0.002 . . . . . A 37 VAL HG21 . 11595 1 379 . 1 1 37 37 VAL HG22 H 1 0.772 0.002 . . . . . A 37 VAL HG22 . 11595 1 380 . 1 1 37 37 VAL HG23 H 1 0.772 0.002 . . . . . A 37 VAL HG23 . 11595 1 381 . 1 1 37 37 VAL CA C 13 67.951 0.045 . . . . . A 37 VAL CA . 11595 1 382 . 1 1 37 37 VAL CB C 13 31.527 0.200 . . . . . A 37 VAL CB . 11595 1 383 . 1 1 37 37 VAL CG1 C 13 24.770 0.103 . . . . . A 37 VAL CG1 . 11595 1 384 . 1 1 37 37 VAL CG2 C 13 21.319 0.031 . . . . . A 37 VAL CG2 . 11595 1 385 . 1 1 37 37 VAL N N 15 120.904 0.097 . . . . . A 37 VAL N . 11595 1 386 . 1 1 38 38 ASN H H 1 8.313 0.004 . . . . . A 38 ASN H . 11595 1 387 . 1 1 38 38 ASN HA H 1 4.267 0.007 . . . . . A 38 ASN HA . 11595 1 388 . 1 1 38 38 ASN HB2 H 1 2.614 0.004 . . . . . A 38 ASN HB2 . 11595 1 389 . 1 1 38 38 ASN HB3 H 1 2.800 0.005 . . . . . A 38 ASN HB3 . 11595 1 390 . 1 1 38 38 ASN HD21 H 1 7.359 0.002 . . . . . A 38 ASN HD21 . 11595 1 391 . 1 1 38 38 ASN HD22 H 1 6.720 0.004 . . . . . A 38 ASN HD22 . 11595 1 392 . 1 1 38 38 ASN CA C 13 56.098 0.012 . . . . . A 38 ASN CA . 11595 1 393 . 1 1 38 38 ASN CB C 13 37.945 0.033 . . . . . A 38 ASN CB . 11595 1 394 . 1 1 38 38 ASN N N 15 117.527 0.140 . . . . . A 38 ASN N . 11595 1 395 . 1 1 38 38 ASN ND2 N 15 108.115 0.033 . . . . . A 38 ASN ND2 . 11595 1 396 . 1 1 39 39 ARG H H 1 7.557 0.003 . . . . . A 39 ARG H . 11595 1 397 . 1 1 39 39 ARG HA H 1 3.982 0.002 . . . . . A 39 ARG HA . 11595 1 398 . 1 1 39 39 ARG HB2 H 1 1.799 0.006 . . . . . A 39 ARG HB2 . 11595 1 399 . 1 1 39 39 ARG HB3 H 1 1.799 0.006 . . . . . A 39 ARG HB3 . 11595 1 400 . 1 1 39 39 ARG HG2 H 1 1.309 0.012 . . . . . A 39 ARG HG2 . 11595 1 401 . 1 1 39 39 ARG HG3 H 1 1.589 0.003 . . . . . A 39 ARG HG3 . 11595 1 402 . 1 1 39 39 ARG HD2 H 1 3.069 0.004 . . . . . A 39 ARG HD2 . 11595 1 403 . 1 1 39 39 ARG HD3 H 1 3.155 0.008 . . . . . A 39 ARG HD3 . 11595 1 404 . 1 1 39 39 ARG CA C 13 59.980 0.116 . . . . . A 39 ARG CA . 11595 1 405 . 1 1 39 39 ARG CB C 13 29.810 0.144 . . . . . A 39 ARG CB . 11595 1 406 . 1 1 39 39 ARG CG C 13 27.654 0.003 . . . . . A 39 ARG CG . 11595 1 407 . 1 1 39 39 ARG CD C 13 43.605 0.094 . . . . . A 39 ARG CD . 11595 1 408 . 1 1 39 39 ARG N N 15 120.346 0.049 . . . . . A 39 ARG N . 11595 1 409 . 1 1 40 40 HIS H H 1 7.570 0.002 . . . . . A 40 HIS H . 11595 1 410 . 1 1 40 40 HIS HA H 1 4.519 0.004 . . . . . A 40 HIS HA . 11595 1 411 . 1 1 40 40 HIS HB2 H 1 2.662 0.002 . . . . . A 40 HIS HB2 . 11595 1 412 . 1 1 40 40 HIS HB3 H 1 2.938 0.004 . . . . . A 40 HIS HB3 . 11595 1 413 . 1 1 40 40 HIS HD2 H 1 6.527 0.003 . . . . . A 40 HIS HD2 . 11595 1 414 . 1 1 40 40 HIS CA C 13 59.882 0.123 . . . . . A 40 HIS CA . 11595 1 415 . 1 1 40 40 HIS CB C 13 31.338 0.121 . . . . . A 40 HIS CB . 11595 1 416 . 1 1 40 40 HIS N N 15 116.933 0.064 . . . . . A 40 HIS N . 11595 1 417 . 1 1 41 41 LEU H H 1 8.598 0.001 . . . . . A 41 LEU H . 11595 1 418 . 1 1 41 41 LEU HA H 1 3.500 0.004 . . . . . A 41 LEU HA . 11595 1 419 . 1 1 41 41 LEU HB2 H 1 -0.908 0.006 . . . . . A 41 LEU HB2 . 11595 1 420 . 1 1 41 41 LEU HB3 H 1 1.019 0.004 . . . . . A 41 LEU HB3 . 11595 1 421 . 1 1 41 41 LEU HG H 1 1.176 0.003 . . . . . A 41 LEU HG . 11595 1 422 . 1 1 41 41 LEU HD11 H 1 -0.501 0.004 . . . . . A 41 LEU HD11 . 11595 1 423 . 1 1 41 41 LEU HD12 H 1 -0.501 0.004 . . . . . A 41 LEU HD12 . 11595 1 424 . 1 1 41 41 LEU HD13 H 1 -0.501 0.004 . . . . . A 41 LEU HD13 . 11595 1 425 . 1 1 41 41 LEU HD21 H 1 0.043 0.008 . . . . . A 41 LEU HD21 . 11595 1 426 . 1 1 41 41 LEU HD22 H 1 0.043 0.008 . . . . . A 41 LEU HD22 . 11595 1 427 . 1 1 41 41 LEU HD23 H 1 0.043 0.008 . . . . . A 41 LEU HD23 . 11595 1 428 . 1 1 41 41 LEU CA C 13 58.571 0.098 . . . . . A 41 LEU CA . 11595 1 429 . 1 1 41 41 LEU CB C 13 39.445 0.203 . . . . . A 41 LEU CB . 11595 1 430 . 1 1 41 41 LEU CG C 13 26.163 0.068 . . . . . A 41 LEU CG . 11595 1 431 . 1 1 41 41 LEU CD1 C 13 24.413 0.112 . . . . . A 41 LEU CD1 . 11595 1 432 . 1 1 41 41 LEU CD2 C 13 21.538 0.120 . . . . . A 41 LEU CD2 . 11595 1 433 . 1 1 41 41 LEU N N 15 121.092 0.040 . . . . . A 41 LEU N . 11595 1 434 . 1 1 42 42 TYR H H 1 8.234 0.002 . . . . . A 42 TYR H . 11595 1 435 . 1 1 42 42 TYR HA H 1 4.385 0.002 . . . . . A 42 TYR HA . 11595 1 436 . 1 1 42 42 TYR HB2 H 1 3.060 0.001 . . . . . A 42 TYR HB2 . 11595 1 437 . 1 1 42 42 TYR HB3 H 1 3.194 0.007 . . . . . A 42 TYR HB3 . 11595 1 438 . 1 1 42 42 TYR HD1 H 1 7.329 0.001 . . . . . A 42 TYR HD1 . 11595 1 439 . 1 1 42 42 TYR HD2 H 1 7.329 0.001 . . . . . A 42 TYR HD2 . 11595 1 440 . 1 1 42 42 TYR CA C 13 61.734 0.156 . . . . . A 42 TYR CA . 11595 1 441 . 1 1 42 42 TYR CB C 13 37.058 0.153 . . . . . A 42 TYR CB . 11595 1 442 . 1 1 42 42 TYR N N 15 117.276 0.091 . . . . . A 42 TYR N . 11595 1 443 . 1 1 43 43 ASN H H 1 7.814 0.004 . . . . . A 43 ASN H . 11595 1 444 . 1 1 43 43 ASN HA H 1 4.536 0.005 . . . . . A 43 ASN HA . 11595 1 445 . 1 1 43 43 ASN HB2 H 1 2.982 0.003 . . . . . A 43 ASN HB2 . 11595 1 446 . 1 1 43 43 ASN HB3 H 1 3.140 0.005 . . . . . A 43 ASN HB3 . 11595 1 447 . 1 1 43 43 ASN HD21 H 1 8.607 0.003 . . . . . A 43 ASN HD21 . 11595 1 448 . 1 1 43 43 ASN HD22 H 1 6.775 0.001 . . . . . A 43 ASN HD22 . 11595 1 449 . 1 1 43 43 ASN CA C 13 56.603 0.102 . . . . . A 43 ASN CA . 11595 1 450 . 1 1 43 43 ASN CB C 13 37.780 0.140 . . . . . A 43 ASN CB . 11595 1 451 . 1 1 43 43 ASN N N 15 120.795 0.065 . . . . . A 43 ASN N . 11595 1 452 . 1 1 43 43 ASN ND2 N 15 113.835 0.076 . . . . . A 43 ASN ND2 . 11595 1 453 . 1 1 44 44 LEU H H 1 8.780 0.005 . . . . . A 44 LEU H . 11595 1 454 . 1 1 44 44 LEU HA H 1 4.183 0.007 . . . . . A 44 LEU HA . 11595 1 455 . 1 1 44 44 LEU HB2 H 1 1.203 0.007 . . . . . A 44 LEU HB2 . 11595 1 456 . 1 1 44 44 LEU HB3 H 1 2.054 0.006 . . . . . A 44 LEU HB3 . 11595 1 457 . 1 1 44 44 LEU HG H 1 1.835 0.004 . . . . . A 44 LEU HG . 11595 1 458 . 1 1 44 44 LEU HD11 H 1 0.696 0.004 . . . . . A 44 LEU HD11 . 11595 1 459 . 1 1 44 44 LEU HD12 H 1 0.696 0.004 . . . . . A 44 LEU HD12 . 11595 1 460 . 1 1 44 44 LEU HD13 H 1 0.696 0.004 . . . . . A 44 LEU HD13 . 11595 1 461 . 1 1 44 44 LEU HD21 H 1 0.784 0.003 . . . . . A 44 LEU HD21 . 11595 1 462 . 1 1 44 44 LEU HD22 H 1 0.784 0.003 . . . . . A 44 LEU HD22 . 11595 1 463 . 1 1 44 44 LEU HD23 H 1 0.784 0.003 . . . . . A 44 LEU HD23 . 11595 1 464 . 1 1 44 44 LEU CA C 13 57.311 0.096 . . . . . A 44 LEU CA . 11595 1 465 . 1 1 44 44 LEU CB C 13 43.783 0.125 . . . . . A 44 LEU CB . 11595 1 466 . 1 1 44 44 LEU CG C 13 27.160 0.005 . . . . . A 44 LEU CG . 11595 1 467 . 1 1 44 44 LEU CD1 C 13 25.101 0.022 . . . . . A 44 LEU CD1 . 11595 1 468 . 1 1 44 44 LEU CD2 C 13 23.661 0.005 . . . . . A 44 LEU CD2 . 11595 1 469 . 1 1 44 44 LEU N N 15 123.046 0.124 . . . . . A 44 LEU N . 11595 1 470 . 1 1 45 45 GLN H H 1 8.909 0.003 . . . . . A 45 GLN H . 11595 1 471 . 1 1 45 45 GLN HA H 1 4.503 0.010 . . . . . A 45 GLN HA . 11595 1 472 . 1 1 45 45 GLN HB2 H 1 2.314 0.012 . . . . . A 45 GLN HB2 . 11595 1 473 . 1 1 45 45 GLN HB3 H 1 2.694 0.010 . . . . . A 45 GLN HB3 . 11595 1 474 . 1 1 45 45 GLN HG2 H 1 2.580 0.005 . . . . . A 45 GLN HG2 . 11595 1 475 . 1 1 45 45 GLN HG3 H 1 2.734 0.004 . . . . . A 45 GLN HG3 . 11595 1 476 . 1 1 45 45 GLN HE21 H 1 6.782 0.004 . . . . . A 45 GLN HE21 . 11595 1 477 . 1 1 45 45 GLN HE22 H 1 7.804 0.003 . . . . . A 45 GLN HE22 . 11595 1 478 . 1 1 45 45 GLN CA C 13 59.349 0.005 . . . . . A 45 GLN CA . 11595 1 479 . 1 1 45 45 GLN CB C 13 29.739 0.052 . . . . . A 45 GLN CB . 11595 1 480 . 1 1 45 45 GLN CG C 13 34.199 0.061 . . . . . A 45 GLN CG . 11595 1 481 . 1 1 45 45 GLN N N 15 124.963 0.077 . . . . . A 45 GLN N . 11595 1 482 . 1 1 45 45 GLN NE2 N 15 110.445 0.069 . . . . . A 45 GLN NE2 . 11595 1 483 . 1 1 46 46 ARG H H 1 8.079 0.003 . . . . . A 46 ARG H . 11595 1 484 . 1 1 46 46 ARG HA H 1 4.233 0.003 . . . . . A 46 ARG HA . 11595 1 485 . 1 1 46 46 ARG HB2 H 1 2.074 0.005 . . . . . A 46 ARG HB2 . 11595 1 486 . 1 1 46 46 ARG HB3 H 1 2.074 0.005 . . . . . A 46 ARG HB3 . 11595 1 487 . 1 1 46 46 ARG HG2 H 1 1.753 0.003 . . . . . A 46 ARG HG2 . 11595 1 488 . 1 1 46 46 ARG HG3 H 1 1.922 0.016 . . . . . A 46 ARG HG3 . 11595 1 489 . 1 1 46 46 ARG HD2 H 1 3.269 0.002 . . . . . A 46 ARG HD2 . 11595 1 490 . 1 1 46 46 ARG HD3 H 1 3.269 0.002 . . . . . A 46 ARG HD3 . 11595 1 491 . 1 1 46 46 ARG HE H 1 6.605 0.001 . . . . . A 46 ARG HE . 11595 1 492 . 1 1 46 46 ARG CA C 13 59.342 0.180 . . . . . A 46 ARG CA . 11595 1 493 . 1 1 46 46 ARG CB C 13 30.145 0.175 . . . . . A 46 ARG CB . 11595 1 494 . 1 1 46 46 ARG CG C 13 28.258 0.244 . . . . . A 46 ARG CG . 11595 1 495 . 1 1 46 46 ARG CD C 13 43.444 0.034 . . . . . A 46 ARG CD . 11595 1 496 . 1 1 46 46 ARG N N 15 122.599 0.080 . . . . . A 46 ARG N . 11595 1 497 . 1 1 47 47 SER H H 1 7.574 0.004 . . . . . A 47 SER H . 11595 1 498 . 1 1 47 47 SER HA H 1 4.652 0.002 . . . . . A 47 SER HA . 11595 1 499 . 1 1 47 47 SER HB2 H 1 4.214 0.006 . . . . . A 47 SER HB2 . 11595 1 500 . 1 1 47 47 SER HB3 H 1 3.959 0.008 . . . . . A 47 SER HB3 . 11595 1 501 . 1 1 47 47 SER CA C 13 57.833 0.108 . . . . . A 47 SER CA . 11595 1 502 . 1 1 47 47 SER CB C 13 63.050 0.161 . . . . . A 47 SER CB . 11595 1 503 . 1 1 47 47 SER N N 15 110.733 0.173 . . . . . A 47 SER N . 11595 1 504 . 1 1 48 48 ASN H H 1 8.209 0.004 . . . . . A 48 ASN H . 11595 1 505 . 1 1 48 48 ASN HA H 1 4.626 0.002 . . . . . A 48 ASN HA . 11595 1 506 . 1 1 48 48 ASN HB2 H 1 3.164 0.001 . . . . . A 48 ASN HB2 . 11595 1 507 . 1 1 48 48 ASN HB3 H 1 2.920 0.006 . . . . . A 48 ASN HB3 . 11595 1 508 . 1 1 48 48 ASN HD21 H 1 6.838 0.002 . . . . . A 48 ASN HD21 . 11595 1 509 . 1 1 48 48 ASN HD22 H 1 7.532 0.002 . . . . . A 48 ASN HD22 . 11595 1 510 . 1 1 48 48 ASN CA C 13 55.041 0.126 . . . . . A 48 ASN CA . 11595 1 511 . 1 1 48 48 ASN CB C 13 37.448 0.088 . . . . . A 48 ASN CB . 11595 1 512 . 1 1 48 48 ASN N N 15 116.340 0.054 . . . . . A 48 ASN N . 11595 1 513 . 1 1 48 48 ASN ND2 N 15 111.975 0.011 . . . . . A 48 ASN ND2 . 11595 1 514 . 1 1 49 49 GLN H H 1 8.611 0.004 . . . . . A 49 GLN H . 11595 1 515 . 1 1 49 49 GLN HA H 1 4.619 0.001 . . . . . A 49 GLN HA . 11595 1 516 . 1 1 49 49 GLN HB2 H 1 1.942 0.002 . . . . . A 49 GLN HB2 . 11595 1 517 . 1 1 49 49 GLN HB3 H 1 2.242 0.005 . . . . . A 49 GLN HB3 . 11595 1 518 . 1 1 49 49 GLN HE21 H 1 6.791 0.002 . . . . . A 49 GLN HE21 . 11595 1 519 . 1 1 49 49 GLN HE22 H 1 7.801 0.002 . . . . . A 49 GLN HE22 . 11595 1 520 . 1 1 49 49 GLN CA C 13 57.682 0.059 . . . . . A 49 GLN CA . 11595 1 521 . 1 1 49 49 GLN CB C 13 32.258 0.019 . . . . . A 49 GLN CB . 11595 1 522 . 1 1 49 49 GLN N N 15 111.815 0.150 . . . . . A 49 GLN N . 11595 1 523 . 1 1 49 49 GLN NE2 N 15 110.499 0.005 . . . . . A 49 GLN NE2 . 11595 1 524 . 1 1 50 50 VAL H H 1 7.271 0.003 . . . . . A 50 VAL H . 11595 1 525 . 1 1 50 50 VAL HA H 1 5.499 0.005 . . . . . A 50 VAL HA . 11595 1 526 . 1 1 50 50 VAL HB H 1 2.415 0.003 . . . . . A 50 VAL HB . 11595 1 527 . 1 1 50 50 VAL HG11 H 1 0.770 0.003 . . . . . A 50 VAL HG11 . 11595 1 528 . 1 1 50 50 VAL HG12 H 1 0.770 0.003 . . . . . A 50 VAL HG12 . 11595 1 529 . 1 1 50 50 VAL HG13 H 1 0.770 0.003 . . . . . A 50 VAL HG13 . 11595 1 530 . 1 1 50 50 VAL HG21 H 1 0.780 0.002 . . . . . A 50 VAL HG21 . 11595 1 531 . 1 1 50 50 VAL HG22 H 1 0.780 0.002 . . . . . A 50 VAL HG22 . 11595 1 532 . 1 1 50 50 VAL HG23 H 1 0.780 0.002 . . . . . A 50 VAL HG23 . 11595 1 533 . 1 1 50 50 VAL CA C 13 58.630 0.088 . . . . . A 50 VAL CA . 11595 1 534 . 1 1 50 50 VAL CB C 13 36.763 0.176 . . . . . A 50 VAL CB . 11595 1 535 . 1 1 50 50 VAL CG1 C 13 22.157 0.049 . . . . . A 50 VAL CG1 . 11595 1 536 . 1 1 50 50 VAL CG2 C 13 20.292 0.059 . . . . . A 50 VAL CG2 . 11595 1 537 . 1 1 50 50 VAL N N 15 109.293 0.140 . . . . . A 50 VAL N . 11595 1 538 . 1 1 51 51 PHE H H 1 9.129 0.002 . . . . . A 51 PHE H . 11595 1 539 . 1 1 51 51 PHE HA H 1 5.179 0.005 . . . . . A 51 PHE HA . 11595 1 540 . 1 1 51 51 PHE HB2 H 1 3.168 0.007 . . . . . A 51 PHE HB2 . 11595 1 541 . 1 1 51 51 PHE HB3 H 1 3.223 0.012 . . . . . A 51 PHE HB3 . 11595 1 542 . 1 1 51 51 PHE HD1 H 1 6.902 0.002 . . . . . A 51 PHE HD1 . 11595 1 543 . 1 1 51 51 PHE HD2 H 1 6.902 0.002 . . . . . A 51 PHE HD2 . 11595 1 544 . 1 1 51 51 PHE HE1 H 1 7.085 0.004 . . . . . A 51 PHE HE1 . 11595 1 545 . 1 1 51 51 PHE HE2 H 1 7.085 0.004 . . . . . A 51 PHE HE2 . 11595 1 546 . 1 1 51 51 PHE CA C 13 56.366 0.073 . . . . . A 51 PHE CA . 11595 1 547 . 1 1 51 51 PHE CB C 13 42.614 0.031 . . . . . A 51 PHE CB . 11595 1 548 . 1 1 51 51 PHE N N 15 117.699 0.066 . . . . . A 51 PHE N . 11595 1 549 . 1 1 52 52 ASN H H 1 8.326 0.005 . . . . . A 52 ASN H . 11595 1 550 . 1 1 52 52 ASN HA H 1 4.909 0.006 . . . . . A 52 ASN HA . 11595 1 551 . 1 1 52 52 ASN HB2 H 1 0.388 0.002 . . . . . A 52 ASN HB2 . 11595 1 552 . 1 1 52 52 ASN HB3 H 1 1.514 0.006 . . . . . A 52 ASN HB3 . 11595 1 553 . 1 1 52 52 ASN HD21 H 1 6.692 0.007 . . . . . A 52 ASN HD21 . 11595 1 554 . 1 1 52 52 ASN CA C 13 51.202 0.129 . . . . . A 52 ASN CA . 11595 1 555 . 1 1 52 52 ASN CB C 13 40.744 0.191 . . . . . A 52 ASN CB . 11595 1 556 . 1 1 52 52 ASN N N 15 115.873 0.122 . . . . . A 52 ASN N . 11595 1 557 . 1 1 52 52 ASN ND2 N 15 113.789 0.023 . . . . . A 52 ASN ND2 . 11595 1 558 . 1 1 53 53 SER H H 1 8.083 0.003 . . . . . A 53 SER H . 11595 1 559 . 1 1 53 53 SER HA H 1 4.679 0.007 . . . . . A 53 SER HA . 11595 1 560 . 1 1 53 53 SER HB2 H 1 3.834 0.005 . . . . . A 53 SER HB2 . 11595 1 561 . 1 1 53 53 SER HB3 H 1 4.116 0.002 . . . . . A 53 SER HB3 . 11595 1 562 . 1 1 53 53 SER CA C 13 56.919 0.082 . . . . . A 53 SER CA . 11595 1 563 . 1 1 53 53 SER CB C 13 64.144 0.147 . . . . . A 53 SER CB . 11595 1 564 . 1 1 53 53 SER N N 15 115.284 0.065 . . . . . A 53 SER N . 11595 1 565 . 1 1 54 54 ASN H H 1 8.817 0.007 . . . . . A 54 ASN H . 11595 1 566 . 1 1 54 54 ASN HA H 1 4.484 0.007 . . . . . A 54 ASN HA . 11595 1 567 . 1 1 54 54 ASN HB2 H 1 2.767 0.003 . . . . . A 54 ASN HB2 . 11595 1 568 . 1 1 54 54 ASN HB3 H 1 2.985 0.001 . . . . . A 54 ASN HB3 . 11595 1 569 . 1 1 54 54 ASN HD21 H 1 6.830 0.002 . . . . . A 54 ASN HD21 . 11595 1 570 . 1 1 54 54 ASN HD22 H 1 7.527 0.002 . . . . . A 54 ASN HD22 . 11595 1 571 . 1 1 54 54 ASN CA C 13 54.053 0.056 . . . . . A 54 ASN CA . 11595 1 572 . 1 1 54 54 ASN CB C 13 37.918 0.013 . . . . . A 54 ASN CB . 11595 1 573 . 1 1 54 54 ASN N N 15 116.294 0.100 . . . . . A 54 ASN N . 11595 1 574 . 1 1 54 54 ASN ND2 N 15 112.401 0.035 . . . . . A 54 ASN ND2 . 11595 1 575 . 1 1 55 55 GLU H H 1 7.771 0.007 . . . . . A 55 GLU H . 11595 1 576 . 1 1 55 55 GLU HA H 1 4.138 0.003 . . . . . A 55 GLU HA . 11595 1 577 . 1 1 55 55 GLU HB2 H 1 1.846 0.005 . . . . . A 55 GLU HB2 . 11595 1 578 . 1 1 55 55 GLU HB3 H 1 1.985 0.002 . . . . . A 55 GLU HB3 . 11595 1 579 . 1 1 55 55 GLU HG2 H 1 2.254 0.001 . . . . . A 55 GLU HG2 . 11595 1 580 . 1 1 55 55 GLU HG3 H 1 2.122 0.002 . . . . . A 55 GLU HG3 . 11595 1 581 . 1 1 55 55 GLU CA C 13 56.497 0.096 . . . . . A 55 GLU CA . 11595 1 582 . 1 1 55 55 GLU CB C 13 31.565 0.179 . . . . . A 55 GLU CB . 11595 1 583 . 1 1 55 55 GLU CG C 13 37.175 0.126 . . . . . A 55 GLU CG . 11595 1 584 . 1 1 55 55 GLU N N 15 117.973 0.077 . . . . . A 55 GLU N . 11595 1 585 . 1 1 56 56 LYS H H 1 8.137 0.005 . . . . . A 56 LYS H . 11595 1 586 . 1 1 56 56 LYS HA H 1 4.681 0.002 . . . . . A 56 LYS HA . 11595 1 587 . 1 1 56 56 LYS HB2 H 1 1.688 0.002 . . . . . A 56 LYS HB2 . 11595 1 588 . 1 1 56 56 LYS HB3 H 1 1.688 0.002 . . . . . A 56 LYS HB3 . 11595 1 589 . 1 1 56 56 LYS HG2 H 1 1.252 0.007 . . . . . A 56 LYS HG2 . 11595 1 590 . 1 1 56 56 LYS HG3 H 1 1.356 0.003 . . . . . A 56 LYS HG3 . 11595 1 591 . 1 1 56 56 LYS CA C 13 52.632 0.113 . . . . . A 56 LYS CA . 11595 1 592 . 1 1 56 56 LYS CB C 13 33.879 0.100 . . . . . A 56 LYS CB . 11595 1 593 . 1 1 56 56 LYS CG C 13 24.821 0.093 . . . . . A 56 LYS CG . 11595 1 594 . 1 1 56 56 LYS N N 15 118.797 0.039 . . . . . A 56 LYS N . 11595 1 595 . 1 1 58 58 PRO CA C 13 63.933 0.005 . . . . . A 58 PRO CA . 11595 1 596 . 1 1 58 58 PRO CB C 13 32.239 0.005 . . . . . A 58 PRO CB . 11595 1 597 . 1 1 59 59 VAL H H 1 7.586 0.004 . . . . . A 59 VAL H . 11595 1 598 . 1 1 59 59 VAL HA H 1 3.902 0.007 . . . . . A 59 VAL HA . 11595 1 599 . 1 1 59 59 VAL HB H 1 1.751 0.003 . . . . . A 59 VAL HB . 11595 1 600 . 1 1 59 59 VAL HG11 H 1 0.718 0.006 . . . . . A 59 VAL HG11 . 11595 1 601 . 1 1 59 59 VAL HG12 H 1 0.718 0.006 . . . . . A 59 VAL HG12 . 11595 1 602 . 1 1 59 59 VAL HG13 H 1 0.718 0.006 . . . . . A 59 VAL HG13 . 11595 1 603 . 1 1 59 59 VAL HG21 H 1 0.781 0.005 . . . . . A 59 VAL HG21 . 11595 1 604 . 1 1 59 59 VAL HG22 H 1 0.781 0.005 . . . . . A 59 VAL HG22 . 11595 1 605 . 1 1 59 59 VAL HG23 H 1 0.781 0.005 . . . . . A 59 VAL HG23 . 11595 1 606 . 1 1 59 59 VAL CA C 13 61.633 0.127 . . . . . A 59 VAL CA . 11595 1 607 . 1 1 59 59 VAL CB C 13 32.422 0.103 . . . . . A 59 VAL CB . 11595 1 608 . 1 1 59 59 VAL CG1 C 13 22.425 0.077 . . . . . A 59 VAL CG1 . 11595 1 609 . 1 1 59 59 VAL CG2 C 13 21.333 0.019 . . . . . A 59 VAL CG2 . 11595 1 610 . 1 1 59 59 VAL N N 15 120.888 0.093 . . . . . A 59 VAL N . 11595 1 611 . 1 1 60 60 TRP H H 1 8.773 0.002 . . . . . A 60 TRP H . 11595 1 612 . 1 1 60 60 TRP HA H 1 4.873 0.006 . . . . . A 60 TRP HA . 11595 1 613 . 1 1 60 60 TRP HB2 H 1 3.069 0.002 . . . . . A 60 TRP HB2 . 11595 1 614 . 1 1 60 60 TRP HB3 H 1 2.784 0.008 . . . . . A 60 TRP HB3 . 11595 1 615 . 1 1 60 60 TRP HD1 H 1 7.186 0.018 . . . . . A 60 TRP HD1 . 11595 1 616 . 1 1 60 60 TRP HE1 H 1 10.179 0.003 . . . . . A 60 TRP HE1 . 11595 1 617 . 1 1 60 60 TRP CA C 13 56.713 0.031 . . . . . A 60 TRP CA . 11595 1 618 . 1 1 60 60 TRP CB C 13 31.297 0.001 . . . . . A 60 TRP CB . 11595 1 619 . 1 1 60 60 TRP N N 15 131.049 0.210 . . . . . A 60 TRP N . 11595 1 620 . 1 1 60 60 TRP NE1 N 15 129.907 0.075 . . . . . A 60 TRP NE1 . 11595 1 621 . 1 1 61 61 ASP H H 1 8.251 0.004 . . . . . A 61 ASP H . 11595 1 622 . 1 1 61 61 ASP HA H 1 4.901 0.016 . . . . . A 61 ASP HA . 11595 1 623 . 1 1 61 61 ASP HB2 H 1 2.192 0.002 . . . . . A 61 ASP HB2 . 11595 1 624 . 1 1 61 61 ASP HB3 H 1 2.230 0.013 . . . . . A 61 ASP HB3 . 11595 1 625 . 1 1 61 61 ASP CA C 13 51.649 0.177 . . . . . A 61 ASP CA . 11595 1 626 . 1 1 61 61 ASP CB C 13 45.036 0.124 . . . . . A 61 ASP CB . 11595 1 627 . 1 1 61 61 ASP N N 15 116.422 0.077 . . . . . A 61 ASP N . 11595 1 628 . 1 1 62 62 LEU H H 1 9.059 0.005 . . . . . A 62 LEU H . 11595 1 629 . 1 1 62 62 LEU HA H 1 4.617 0.002 . . . . . A 62 LEU HA . 11595 1 630 . 1 1 62 62 LEU HB2 H 1 1.671 0.008 . . . . . A 62 LEU HB2 . 11595 1 631 . 1 1 62 62 LEU HB3 H 1 1.671 0.008 . . . . . A 62 LEU HB3 . 11595 1 632 . 1 1 62 62 LEU CA C 13 55.001 0.014 . . . . . A 62 LEU CA . 11595 1 633 . 1 1 62 62 LEU CB C 13 43.473 0.037 . . . . . A 62 LEU CB . 11595 1 634 . 1 1 62 62 LEU N N 15 120.209 0.031 . . . . . A 62 LEU N . 11595 1 635 . 1 1 63 63 MET H H 1 7.603 0.007 . . . . . A 63 MET H . 11595 1 636 . 1 1 63 63 MET HA H 1 4.493 0.001 . . . . . A 63 MET HA . 11595 1 637 . 1 1 63 63 MET HB2 H 1 1.667 0.003 . . . . . A 63 MET HB2 . 11595 1 638 . 1 1 63 63 MET HB3 H 1 1.667 0.003 . . . . . A 63 MET HB3 . 11595 1 639 . 1 1 63 63 MET CA C 13 56.018 0.005 . . . . . A 63 MET CA . 11595 1 640 . 1 1 63 63 MET CB C 13 33.414 0.034 . . . . . A 63 MET CB . 11595 1 641 . 1 1 63 63 MET N N 15 120.182 0.029 . . . . . A 63 MET N . 11595 1 642 . 1 1 64 64 GLU H H 1 8.453 0.004 . . . . . A 64 GLU H . 11595 1 643 . 1 1 64 64 GLU HA H 1 4.351 0.001 . . . . . A 64 GLU HA . 11595 1 644 . 1 1 64 64 GLU HB2 H 1 2.009 0.008 . . . . . A 64 GLU HB2 . 11595 1 645 . 1 1 64 64 GLU HB3 H 1 2.009 0.008 . . . . . A 64 GLU HB3 . 11595 1 646 . 1 1 64 64 GLU HG2 H 1 2.210 0.005 . . . . . A 64 GLU HG2 . 11595 1 647 . 1 1 64 64 GLU HG3 H 1 2.210 0.005 . . . . . A 64 GLU HG3 . 11595 1 648 . 1 1 64 64 GLU CA C 13 56.660 0.005 . . . . . A 64 GLU CA . 11595 1 649 . 1 1 64 64 GLU CB C 13 30.780 0.025 . . . . . A 64 GLU CB . 11595 1 650 . 1 1 64 64 GLU CG C 13 36.679 0.005 . . . . . A 64 GLU CG . 11595 1 651 . 1 1 64 64 GLU N N 15 121.939 0.136 . . . . . A 64 GLU N . 11595 1 stop_ save_