data_19532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19532 _Entry.Title ; NMR spatial structure of mutant dimeric TM domain of VEGFR2 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-02 _Entry.Accession_date 2013-10-02 _Entry.Last_release_date 2013-10-07 _Entry.Original_release_date 2013-10-07 _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 'NMR, 10 STRUCTURES' _Entry.Details 'original TM domain bears two substitutions: G770/E and F777/E' _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 Konstantin Mineev . S. . . 19532 2 Alexander Arseniev . S. . . 19532 3 Ekaterina Lyukmanova . N. . . 19532 4 Mikhail Shulepko . A. . . 19532 5 Mikhail Kirpichnikov . P. . . 19532 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' . 19532 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID VEGFR2 . 19532 dimer . 19532 homodimer . 19532 'receptor tyrosine kinase' . 19532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 181 19532 '15N chemical shifts' 44 19532 '1H chemical shifts' 314 19532 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 . . 2014-07-28 . original BMRB . 19532 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19532 _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 ; NMR spatial structure of mutant dimeric TM domain of VEGFR2 receptor ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 . _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 Konstantin Mineev . S. . . 19532 1 2 Alexander Arseniev . S. . . 19532 1 3 Ekaterina Lyukmanova . N. . . 19532 1 4 Mikhail Shulepko . A. . . 19532 1 5 Mikhail Kirpichnikov . P. . . 19532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19532 _Assembly.ID 1 _Assembly.Name 'mutant dimeric TM domain of VEGFR2 receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'v2e_707, 1' 1 $v2e_707 A . yes native no no . . . 19532 1 2 'v2e_707, 2' 1 $v2e_707 B . yes native no no . . . 19532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_v2e_707 _Entity.Sf_category entity _Entity.Sf_framecode v2e_707 _Entity.Entry_ID 19532 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name v2e_707 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKTNLEIIILVETAVIAMEF WLLLVIILRTVKRANGG ; _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 37 _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 4185.108 _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 GLU . 19532 1 2 2 LYS . 19532 1 3 3 THR . 19532 1 4 4 ASN . 19532 1 5 5 LEU . 19532 1 6 6 GLU . 19532 1 7 7 ILE . 19532 1 8 8 ILE . 19532 1 9 9 ILE . 19532 1 10 10 LEU . 19532 1 11 11 VAL . 19532 1 12 12 GLU . 19532 1 13 13 THR . 19532 1 14 14 ALA . 19532 1 15 15 VAL . 19532 1 16 16 ILE . 19532 1 17 17 ALA . 19532 1 18 18 MET . 19532 1 19 19 GLU . 19532 1 20 20 PHE . 19532 1 21 21 TRP . 19532 1 22 22 LEU . 19532 1 23 23 LEU . 19532 1 24 24 LEU . 19532 1 25 25 VAL . 19532 1 26 26 ILE . 19532 1 27 27 ILE . 19532 1 28 28 LEU . 19532 1 29 29 ARG . 19532 1 30 30 THR . 19532 1 31 31 VAL . 19532 1 32 32 LYS . 19532 1 33 33 ARG . 19532 1 34 34 ALA . 19532 1 35 35 ASN . 19532 1 36 36 GLY . 19532 1 37 37 GLY . 19532 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 . GLU 1 1 19532 1 . LYS 2 2 19532 1 . THR 3 3 19532 1 . ASN 4 4 19532 1 . LEU 5 5 19532 1 . GLU 6 6 19532 1 . ILE 7 7 19532 1 . ILE 8 8 19532 1 . ILE 9 9 19532 1 . LEU 10 10 19532 1 . VAL 11 11 19532 1 . GLU 12 12 19532 1 . THR 13 13 19532 1 . ALA 14 14 19532 1 . VAL 15 15 19532 1 . ILE 16 16 19532 1 . ALA 17 17 19532 1 . MET 18 18 19532 1 . GLU 19 19 19532 1 . PHE 20 20 19532 1 . TRP 21 21 19532 1 . LEU 22 22 19532 1 . LEU 23 23 19532 1 . LEU 24 24 19532 1 . VAL 25 25 19532 1 . ILE 26 26 19532 1 . ILE 27 27 19532 1 . LEU 28 28 19532 1 . ARG 29 29 19532 1 . THR 30 30 19532 1 . VAL 31 31 19532 1 . LYS 32 32 19532 1 . ARG 33 33 19532 1 . ALA 34 34 19532 1 . ASN 35 35 19532 1 . GLY 36 36 19532 1 . GLY 37 37 19532 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 19532 _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 $v2e_707 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19532 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 19532 _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 $v2e_707 . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . pET20b(+) . . . 19532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19532 _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 v2e_707 'natural abundance' . . 1 $v2e_707 . . 0.6 . . mM . . . . 19532 1 2 v2e_707 '[U-100% 13C; U-100% 15N]' . . 1 $v2e_707 . . 0.6 . . mM . . . . 19532 1 3 DPC '[U-100% 2H]' . . . . . . 120 . . mM . . . . 19532 1 4 'sodium acetate' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 19532 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 19532 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19532 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19532 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 19532 _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' 20 . mM 19532 1 pH 4.5 . pH 19532 1 pressure ambient . atm 19532 1 temperature 318 . K 19532 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19532 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19532 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19532 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19532 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19532 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19532 2 'data analysis' 19532 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19532 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19532 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19532 3 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 19532 _Software.ID 4 _Software.Name qMDD _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Mayzel' . . 19532 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19532 4 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 19532 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19532 _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 . . . 19532 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 19532 _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 . . . . . . . . . . . . . . . . 19532 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 1 10 '13C,15N - filtered NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19532 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 19532 _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 . . . . . 19532 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19532 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19532 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 19532 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19532 1 2 '2D 1H-13C HSQC' . . . 19532 1 3 '3D CBCA(CO)NH' . . . 19532 1 4 '3D HNCACB' . . . 19532 1 5 '3D HNCA' . . . 19532 1 6 '3D HNCO' . . . 19532 1 7 '3D 1H-13C NOESY aliphatic' . . . 19532 1 8 '3D 1H-13C NOESY aromatic' . . . 19532 1 9 '3D 1H-15N NOESY' . . . 19532 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.354 0.0100 . 1 . . . A 1 GLU HA . 19532 1 2 . 1 1 1 1 GLU HB2 H 1 2.035 0.0100 . 2 . . . A 1 GLU HB2 . 19532 1 3 . 1 1 1 1 GLU HB3 H 1 2.200 0.0100 . 2 . . . A 1 GLU HB3 . 19532 1 4 . 1 1 1 1 GLU HG2 H 1 2.441 0.0100 . 1 . . . A 1 GLU HG2 . 19532 1 5 . 1 1 1 1 GLU HG3 H 1 2.441 0.0100 . 1 . . . A 1 GLU HG3 . 19532 1 6 . 1 1 1 1 GLU H H 1 8.611 0.0100 . 1 . . . A 1 GLU H1 . 19532 1 7 . 1 1 1 1 GLU C C 13 176.542 0.1000 . 1 . . . A 1 GLU C . 19532 1 8 . 1 1 1 1 GLU CA C 13 56.203 0.1000 . 1 . . . A 1 GLU CA . 19532 1 9 . 1 1 1 1 GLU CB C 13 28.745 0.1000 . 1 . . . A 1 GLU CB . 19532 1 10 . 1 1 1 1 GLU CG C 13 34.045 0.1000 . 1 . . . A 1 GLU CG . 19532 1 11 . 1 1 1 1 GLU N N 15 121.328 0.1000 . 1 . . . A 1 GLU N . 19532 1 12 . 1 1 2 2 LYS H H 1 8.561 0.0100 . 1 . . . A 2 LYS H . 19532 1 13 . 1 1 2 2 LYS HA H 1 3.971 0.0100 . 1 . . . A 2 LYS HA . 19532 1 14 . 1 1 2 2 LYS HB2 H 1 1.865 0.0100 . 1 . . . A 2 LYS HB2 . 19532 1 15 . 1 1 2 2 LYS HB3 H 1 1.865 0.0100 . 1 . . . A 2 LYS HB3 . 19532 1 16 . 1 1 2 2 LYS HG2 H 1 1.459 0.0100 . 2 . . . A 2 LYS HG2 . 19532 1 17 . 1 1 2 2 LYS HG3 H 1 1.349 0.0100 . 2 . . . A 2 LYS HG3 . 19532 1 18 . 1 1 2 2 LYS HD2 H 1 1.716 0.0100 . 1 . . . A 2 LYS HD2 . 19532 1 19 . 1 1 2 2 LYS HD3 H 1 1.716 0.0100 . 1 . . . A 2 LYS HD3 . 19532 1 20 . 1 1 2 2 LYS HE2 H 1 2.995 0.0100 . 1 . . . A 2 LYS HE2 . 19532 1 21 . 1 1 2 2 LYS HE3 H 1 2.995 0.0100 . 1 . . . A 2 LYS HE3 . 19532 1 22 . 1 1 2 2 LYS C C 13 176.772 0.1000 . 1 . . . A 2 LYS C . 19532 1 23 . 1 1 2 2 LYS CA C 13 59.061 0.1000 . 1 . . . A 2 LYS CA . 19532 1 24 . 1 1 2 2 LYS CB C 13 31.709 0.1000 . 1 . . . A 2 LYS CB . 19532 1 25 . 1 1 2 2 LYS CG C 13 24.561 0.1000 . 1 . . . A 2 LYS CG . 19532 1 26 . 1 1 2 2 LYS CD C 13 28.384 0.1000 . 1 . . . A 2 LYS CD . 19532 1 27 . 1 1 2 2 LYS CE C 13 41.250 0.1000 . 1 . . . A 2 LYS CE . 19532 1 28 . 1 1 2 2 LYS N N 15 121.755 0.1000 . 1 . . . A 2 LYS N . 19532 1 29 . 1 1 3 3 THR H H 1 8.021 0.0100 . 1 . . . A 3 THR H . 19532 1 30 . 1 1 3 3 THR HA H 1 3.992 0.0100 . 1 . . . A 3 THR HA . 19532 1 31 . 1 1 3 3 THR HB H 1 4.086 0.0100 . 1 . . . A 3 THR HB . 19532 1 32 . 1 1 3 3 THR HG1 H 1 4.558 0.0100 . 1 . . . A 3 THR HG1 . 19532 1 33 . 1 1 3 3 THR HG21 H 1 1.245 0.0100 . 1 . . . A 3 THR HG21 . 19532 1 34 . 1 1 3 3 THR HG22 H 1 1.245 0.0100 . 1 . . . A 3 THR HG22 . 19532 1 35 . 1 1 3 3 THR HG23 H 1 1.245 0.0100 . 1 . . . A 3 THR HG23 . 19532 1 36 . 1 1 3 3 THR C C 13 174.816 0.1000 . 1 . . . A 3 THR C . 19532 1 37 . 1 1 3 3 THR CA C 13 64.722 0.1000 . 1 . . . A 3 THR CA . 19532 1 38 . 1 1 3 3 THR CB C 13 68.109 0.1000 . 1 . . . A 3 THR CB . 19532 1 39 . 1 1 3 3 THR CG2 C 13 21.604 0.1000 . 1 . . . A 3 THR CG2 . 19532 1 40 . 1 1 3 3 THR N N 15 113.102 0.1000 . 1 . . . A 3 THR N . 19532 1 41 . 1 1 4 4 ASN H H 1 7.658 0.0100 . 1 . . . A 4 ASN H . 19532 1 42 . 1 1 4 4 ASN HA H 1 4.509 0.0100 . 1 . . . A 4 ASN HA . 19532 1 43 . 1 1 4 4 ASN HB2 H 1 2.903 0.0100 . 2 . . . A 4 ASN HB2 . 19532 1 44 . 1 1 4 4 ASN HB3 H 1 2.692 0.0100 . 2 . . . A 4 ASN HB3 . 19532 1 45 . 1 1 4 4 ASN HD21 H 1 7.453 0.0100 . 2 . . . A 4 ASN HD21 . 19532 1 46 . 1 1 4 4 ASN HD22 H 1 6.831 0.0100 . 2 . . . A 4 ASN HD22 . 19532 1 47 . 1 1 4 4 ASN C C 13 176.357 0.1000 . 1 . . . A 4 ASN C . 19532 1 48 . 1 1 4 4 ASN CA C 13 55.145 0.1000 . 1 . . . A 4 ASN CA . 19532 1 49 . 1 1 4 4 ASN CB C 13 37.451 0.1000 . 1 . . . A 4 ASN CB . 19532 1 50 . 1 1 4 4 ASN CG C 13 175.448 0.1000 . 1 . . . A 4 ASN CG . 19532 1 51 . 1 1 4 4 ASN N N 15 118.987 0.1000 . 1 . . . A 4 ASN N . 19532 1 52 . 1 1 4 4 ASN ND2 N 15 110.141 0.1000 . 1 . . . A 4 ASN ND2 . 19532 1 53 . 1 1 5 5 LEU H H 1 7.795 0.0100 . 1 . . . A 5 LEU H . 19532 1 54 . 1 1 5 5 LEU HA H 1 4.036 0.0100 . 1 . . . A 5 LEU HA . 19532 1 55 . 1 1 5 5 LEU HB2 H 1 1.929 0.0100 . 2 . . . A 5 LEU HB2 . 19532 1 56 . 1 1 5 5 LEU HB3 H 1 1.826 0.0100 . 2 . . . A 5 LEU HB3 . 19532 1 57 . 1 1 5 5 LEU HG H 1 1.813 0.0100 . 1 . . . A 5 LEU HG . 19532 1 58 . 1 1 5 5 LEU HD11 H 1 0.823 0.0100 . 2 . . . A 5 LEU HD11 . 19532 1 59 . 1 1 5 5 LEU HD12 H 1 0.823 0.0100 . 2 . . . A 5 LEU HD12 . 19532 1 60 . 1 1 5 5 LEU HD13 H 1 0.823 0.0100 . 2 . . . A 5 LEU HD13 . 19532 1 61 . 1 1 5 5 LEU HD21 H 1 0.919 0.0100 . 2 . . . A 5 LEU HD21 . 19532 1 62 . 1 1 5 5 LEU HD22 H 1 0.919 0.0100 . 2 . . . A 5 LEU HD22 . 19532 1 63 . 1 1 5 5 LEU HD23 H 1 0.919 0.0100 . 2 . . . A 5 LEU HD23 . 19532 1 64 . 1 1 5 5 LEU C C 13 177.875 0.1000 . 1 . . . A 5 LEU C . 19532 1 65 . 1 1 5 5 LEU CA C 13 57.402 0.1000 . 1 . . . A 5 LEU CA . 19532 1 66 . 1 1 5 5 LEU CB C 13 41.100 0.1000 . 1 . . . A 5 LEU CB . 19532 1 67 . 1 1 5 5 LEU CG C 13 26.432 0.1000 . 1 . . . A 5 LEU CG . 19532 1 68 . 1 1 5 5 LEU CD1 C 13 22.483 0.1000 . 1 . . . A 5 LEU CD1 . 19532 1 69 . 1 1 5 5 LEU CD2 C 13 26.016 0.1000 . 1 . . . A 5 LEU CD2 . 19532 1 70 . 1 1 5 5 LEU N N 15 118.509 0.1000 . 1 . . . A 5 LEU N . 19532 1 71 . 1 1 6 6 GLU H H 1 8.053 0.0100 . 1 . . . A 6 GLU H . 19532 1 72 . 1 1 6 6 GLU HA H 1 3.828 0.0100 . 1 . . . A 6 GLU HA . 19532 1 73 . 1 1 6 6 GLU HB2 H 1 1.977 0.0100 . 2 . . . A 6 GLU HB2 . 19532 1 74 . 1 1 6 6 GLU HB3 H 1 2.437 0.0100 . 2 . . . A 6 GLU HB3 . 19532 1 75 . 1 1 6 6 GLU HG2 H 1 2.166 0.0100 . 2 . . . A 6 GLU HG2 . 19532 1 76 . 1 1 6 6 GLU HG3 H 1 2.663 0.0100 . 2 . . . A 6 GLU HG3 . 19532 1 77 . 1 1 6 6 GLU C C 13 176.892 0.1000 . 1 . . . A 6 GLU C . 19532 1 78 . 1 1 6 6 GLU CA C 13 59.213 0.1000 . 1 . . . A 6 GLU CA . 19532 1 79 . 1 1 6 6 GLU CB C 13 27.065 0.1000 . 1 . . . A 6 GLU CB . 19532 1 80 . 1 1 6 6 GLU CG C 13 33.760 0.1000 . 1 . . . A 6 GLU CG . 19532 1 81 . 1 1 6 6 GLU N N 15 116.513 0.1000 . 1 . . . A 6 GLU N . 19532 1 82 . 1 1 7 7 ILE H H 1 7.854 0.0100 . 1 . . . A 7 ILE H . 19532 1 83 . 1 1 7 7 ILE HA H 1 3.674 0.0100 . 1 . . . A 7 ILE HA . 19532 1 84 . 1 1 7 7 ILE HB H 1 2.063 0.0100 . 1 . . . A 7 ILE HB . 19532 1 85 . 1 1 7 7 ILE HG12 H 1 1.077 0.0100 . 2 . . . A 7 ILE HG12 . 19532 1 86 . 1 1 7 7 ILE HG13 H 1 1.879 0.0100 . 2 . . . A 7 ILE HG13 . 19532 1 87 . 1 1 7 7 ILE HG21 H 1 0.904 0.0100 . 1 . . . A 7 ILE HG21 . 19532 1 88 . 1 1 7 7 ILE HG22 H 1 0.904 0.0100 . 1 . . . A 7 ILE HG22 . 19532 1 89 . 1 1 7 7 ILE HG23 H 1 0.904 0.0100 . 1 . . . A 7 ILE HG23 . 19532 1 90 . 1 1 7 7 ILE HD11 H 1 0.886 0.0100 . 1 . . . A 7 ILE HD11 . 19532 1 91 . 1 1 7 7 ILE HD12 H 1 0.886 0.0100 . 1 . . . A 7 ILE HD12 . 19532 1 92 . 1 1 7 7 ILE HD13 H 1 0.886 0.0100 . 1 . . . A 7 ILE HD13 . 19532 1 93 . 1 1 7 7 ILE C C 13 176.630 0.1000 . 1 . . . A 7 ILE C . 19532 1 94 . 1 1 7 7 ILE CA C 13 64.697 0.1000 . 1 . . . A 7 ILE CA . 19532 1 95 . 1 1 7 7 ILE CB C 13 36.812 0.1000 . 1 . . . A 7 ILE CB . 19532 1 96 . 1 1 7 7 ILE CG1 C 13 28.698 0.1000 . 1 . . . A 7 ILE CG1 . 19532 1 97 . 1 1 7 7 ILE CG2 C 13 16.924 0.1000 . 1 . . . A 7 ILE CG2 . 19532 1 98 . 1 1 7 7 ILE CD1 C 13 12.271 0.1000 . 1 . . . A 7 ILE CD1 . 19532 1 99 . 1 1 7 7 ILE N N 15 118.435 0.1000 . 1 . . . A 7 ILE N . 19532 1 100 . 1 1 8 8 ILE H H 1 7.727 0.0100 . 1 . . . A 8 ILE H . 19532 1 101 . 1 1 8 8 ILE HA H 1 3.521 0.0100 . 1 . . . A 8 ILE HA . 19532 1 102 . 1 1 8 8 ILE HB H 1 2.050 0.0100 . 1 . . . A 8 ILE HB . 19532 1 103 . 1 1 8 8 ILE HG12 H 1 0.999 0.0100 . 2 . . . A 8 ILE HG12 . 19532 1 104 . 1 1 8 8 ILE HG13 H 1 1.918 0.0100 . 2 . . . A 8 ILE HG13 . 19532 1 105 . 1 1 8 8 ILE HG21 H 1 0.861 0.0100 . 1 . . . A 8 ILE HG21 . 19532 1 106 . 1 1 8 8 ILE HG22 H 1 0.861 0.0100 . 1 . . . A 8 ILE HG22 . 19532 1 107 . 1 1 8 8 ILE HG23 H 1 0.861 0.0100 . 1 . . . A 8 ILE HG23 . 19532 1 108 . 1 1 8 8 ILE HD11 H 1 0.829 0.0100 . 1 . . . A 8 ILE HD11 . 19532 1 109 . 1 1 8 8 ILE HD12 H 1 0.829 0.0100 . 1 . . . A 8 ILE HD12 . 19532 1 110 . 1 1 8 8 ILE HD13 H 1 0.829 0.0100 . 1 . . . A 8 ILE HD13 . 19532 1 111 . 1 1 8 8 ILE C C 13 176.772 0.1000 . 1 . . . A 8 ILE C . 19532 1 112 . 1 1 8 8 ILE CA C 13 65.329 0.1000 . 1 . . . A 8 ILE CA . 19532 1 113 . 1 1 8 8 ILE CB C 13 36.806 0.1000 . 1 . . . A 8 ILE CB . 19532 1 114 . 1 1 8 8 ILE CG1 C 13 28.943 0.1000 . 1 . . . A 8 ILE CG1 . 19532 1 115 . 1 1 8 8 ILE CG2 C 13 17.075 0.1000 . 1 . . . A 8 ILE CG2 . 19532 1 116 . 1 1 8 8 ILE CD1 C 13 12.674 0.1000 . 1 . . . A 8 ILE CD1 . 19532 1 117 . 1 1 8 8 ILE N N 15 119.327 0.1000 . 1 . . . A 8 ILE N . 19532 1 118 . 1 1 9 9 ILE H H 1 7.843 0.0100 . 1 . . . A 9 ILE H . 19532 1 119 . 1 1 9 9 ILE HA H 1 3.889 0.0100 . 1 . . . A 9 ILE HA . 19532 1 120 . 1 1 9 9 ILE HB H 1 1.972 0.0100 . 1 . . . A 9 ILE HB . 19532 1 121 . 1 1 9 9 ILE HG12 H 1 1.101 0.0100 . 2 . . . A 9 ILE HG12 . 19532 1 122 . 1 1 9 9 ILE HG13 H 1 1.874 0.0100 . 2 . . . A 9 ILE HG13 . 19532 1 123 . 1 1 9 9 ILE HG21 H 1 0.873 0.0100 . 1 . . . A 9 ILE HG21 . 19532 1 124 . 1 1 9 9 ILE HG22 H 1 0.873 0.0100 . 1 . . . A 9 ILE HG22 . 19532 1 125 . 1 1 9 9 ILE HG23 H 1 0.873 0.0100 . 1 . . . A 9 ILE HG23 . 19532 1 126 . 1 1 9 9 ILE HD11 H 1 0.897 0.0100 . 1 . . . A 9 ILE HD11 . 19532 1 127 . 1 1 9 9 ILE HD12 H 1 0.897 0.0100 . 1 . . . A 9 ILE HD12 . 19532 1 128 . 1 1 9 9 ILE HD13 H 1 0.897 0.0100 . 1 . . . A 9 ILE HD13 . 19532 1 129 . 1 1 9 9 ILE C C 13 179.110 0.1000 . 1 . . . A 9 ILE C . 19532 1 130 . 1 1 9 9 ILE CA C 13 64.323 0.1000 . 1 . . . A 9 ILE CA . 19532 1 131 . 1 1 9 9 ILE CB C 13 36.928 0.1000 . 1 . . . A 9 ILE CB . 19532 1 132 . 1 1 9 9 ILE CG1 C 13 28.696 0.1000 . 1 . . . A 9 ILE CG1 . 19532 1 133 . 1 1 9 9 ILE CG2 C 13 15.981 0.1000 . 1 . . . A 9 ILE CG2 . 19532 1 134 . 1 1 9 9 ILE CD1 C 13 14.432 0.1000 . 1 . . . A 9 ILE CD1 . 19532 1 135 . 1 1 9 9 ILE N N 15 119.384 0.1000 . 1 . . . A 9 ILE N . 19532 1 136 . 1 1 10 10 LEU H H 1 8.333 0.0100 . 1 . . . A 10 LEU H . 19532 1 137 . 1 1 10 10 LEU HA H 1 3.971 0.0100 . 1 . . . A 10 LEU HA . 19532 1 138 . 1 1 10 10 LEU HB2 H 1 1.898 0.0100 . 2 . . . A 10 LEU HB2 . 19532 1 139 . 1 1 10 10 LEU HB3 H 1 1.780 0.0100 . 2 . . . A 10 LEU HB3 . 19532 1 140 . 1 1 10 10 LEU HG H 1 1.805 0.0100 . 1 . . . A 10 LEU HG . 19532 1 141 . 1 1 10 10 LEU HD11 H 1 0.906 0.0100 . 2 . . . A 10 LEU HD11 . 19532 1 142 . 1 1 10 10 LEU HD12 H 1 0.906 0.0100 . 2 . . . A 10 LEU HD12 . 19532 1 143 . 1 1 10 10 LEU HD13 H 1 0.906 0.0100 . 2 . . . A 10 LEU HD13 . 19532 1 144 . 1 1 10 10 LEU HD21 H 1 0.872 0.0100 . 2 . . . A 10 LEU HD21 . 19532 1 145 . 1 1 10 10 LEU HD22 H 1 0.872 0.0100 . 2 . . . A 10 LEU HD22 . 19532 1 146 . 1 1 10 10 LEU HD23 H 1 0.872 0.0100 . 2 . . . A 10 LEU HD23 . 19532 1 147 . 1 1 10 10 LEU C C 13 177.121 0.1000 . 1 . . . A 10 LEU C . 19532 1 148 . 1 1 10 10 LEU CA C 13 58.882 0.1000 . 1 . . . A 10 LEU CA . 19532 1 149 . 1 1 10 10 LEU CB C 13 41.069 0.1000 . 1 . . . A 10 LEU CB . 19532 1 150 . 1 1 10 10 LEU CG C 13 26.463 0.1000 . 1 . . . A 10 LEU CG . 19532 1 151 . 1 1 10 10 LEU CD1 C 13 24.221 0.1000 . 1 . . . A 10 LEU CD1 . 19532 1 152 . 1 1 10 10 LEU CD2 C 13 23.586 0.1000 . 1 . . . A 10 LEU CD2 . 19532 1 153 . 1 1 10 10 LEU N N 15 124.980 0.1000 . 1 . . . A 10 LEU N . 19532 1 154 . 1 1 11 11 VAL H H 1 8.270 0.0100 . 1 . . . A 11 VAL H . 19532 1 155 . 1 1 11 11 VAL HA H 1 3.499 0.0100 . 1 . . . A 11 VAL HA . 19532 1 156 . 1 1 11 11 VAL HB H 1 2.154 0.0100 . 1 . . . A 11 VAL HB . 19532 1 157 . 1 1 11 11 VAL HG11 H 1 0.863 0.0100 . 2 . . . A 11 VAL HG11 . 19532 1 158 . 1 1 11 11 VAL HG12 H 1 0.863 0.0100 . 2 . . . A 11 VAL HG12 . 19532 1 159 . 1 1 11 11 VAL HG13 H 1 0.863 0.0100 . 2 . . . A 11 VAL HG13 . 19532 1 160 . 1 1 11 11 VAL HG21 H 1 1.033 0.0100 . 2 . . . A 11 VAL HG21 . 19532 1 161 . 1 1 11 11 VAL HG22 H 1 1.033 0.0100 . 2 . . . A 11 VAL HG22 . 19532 1 162 . 1 1 11 11 VAL HG23 H 1 1.033 0.0100 . 2 . . . A 11 VAL HG23 . 19532 1 163 . 1 1 11 11 VAL C C 13 177.471 0.1000 . 1 . . . A 11 VAL C . 19532 1 164 . 1 1 11 11 VAL CA C 13 66.507 0.1000 . 1 . . . A 11 VAL CA . 19532 1 165 . 1 1 11 11 VAL CB C 13 30.824 0.1000 . 1 . . . A 11 VAL CB . 19532 1 166 . 1 1 11 11 VAL CG1 C 13 20.770 0.1000 . 1 . . . A 11 VAL CG1 . 19532 1 167 . 1 1 11 11 VAL CG2 C 13 22.312 0.1000 . 1 . . . A 11 VAL CG2 . 19532 1 168 . 1 1 11 11 VAL N N 15 117.153 0.1000 . 1 . . . A 11 VAL N . 19532 1 169 . 1 1 12 12 GLU H H 1 9.137 0.0100 . 1 . . . A 12 GLU H . 19532 1 170 . 1 1 12 12 GLU HA H 1 3.732 0.0100 . 1 . . . A 12 GLU HA . 19532 1 171 . 1 1 12 12 GLU HB2 H 1 1.792 0.0100 . 1 . . . A 12 GLU HB2 . 19532 1 172 . 1 1 12 12 GLU HG2 H 1 2.738 0.0100 . 2 . . . A 12 GLU HG2 . 19532 1 173 . 1 1 12 12 GLU HG3 H 1 2.427 0.0100 . 2 . . . A 12 GLU HG3 . 19532 1 174 . 1 1 12 12 GLU C C 13 177.471 0.1000 . 1 . . . A 12 GLU C . 19532 1 175 . 1 1 12 12 GLU CA C 13 61.018 0.1000 . 1 . . . A 12 GLU CA . 19532 1 176 . 1 1 12 12 GLU CB C 13 26.937 0.1000 . 1 . . . A 12 GLU CB . 19532 1 177 . 1 1 12 12 GLU CG C 13 33.948 0.1000 . 1 . . . A 12 GLU CG . 19532 1 178 . 1 1 12 12 GLU N N 15 116.588 0.1000 . 1 . . . A 12 GLU N . 19532 1 179 . 1 1 13 13 THR H H 1 8.527 0.0100 . 1 . . . A 13 THR H . 19532 1 180 . 1 1 13 13 THR HA H 1 3.732 0.0100 . 1 . . . A 13 THR HA . 19532 1 181 . 1 1 13 13 THR HB H 1 4.301 0.0100 . 1 . . . A 13 THR HB . 19532 1 182 . 1 1 13 13 THR HG1 H 1 4.558 0.0100 . 1 . . . A 13 THR HG1 . 19532 1 183 . 1 1 13 13 THR HG21 H 1 1.116 0.0100 . 1 . . . A 13 THR HG21 . 19532 1 184 . 1 1 13 13 THR HG22 H 1 1.116 0.0100 . 1 . . . A 13 THR HG22 . 19532 1 185 . 1 1 13 13 THR HG23 H 1 1.116 0.0100 . 1 . . . A 13 THR HG23 . 19532 1 186 . 1 1 13 13 THR C C 13 174.597 0.1000 . 1 . . . A 13 THR C . 19532 1 187 . 1 1 13 13 THR CA C 13 67.291 0.1000 . 1 . . . A 13 THR CA . 19532 1 188 . 1 1 13 13 THR CB C 13 68.249 0.1000 . 1 . . . A 13 THR CB . 19532 1 189 . 1 1 13 13 THR CG2 C 13 20.523 0.1000 . 1 . . . A 13 THR CG2 . 19532 1 190 . 1 1 13 13 THR N N 15 116.250 0.1000 . 1 . . . A 13 THR N . 19532 1 191 . 1 1 14 14 ALA H H 1 7.810 0.0100 . 1 . . . A 14 ALA H . 19532 1 192 . 1 1 14 14 ALA HA H 1 3.943 0.0100 . 1 . . . A 14 ALA HA . 19532 1 193 . 1 1 14 14 ALA HB1 H 1 1.489 0.0100 . 1 . . . A 14 ALA HB1 . 19532 1 194 . 1 1 14 14 ALA HB2 H 1 1.489 0.0100 . 1 . . . A 14 ALA HB2 . 19532 1 195 . 1 1 14 14 ALA HB3 H 1 1.489 0.0100 . 1 . . . A 14 ALA HB3 . 19532 1 196 . 1 1 14 14 ALA C C 13 178.455 0.1000 . 1 . . . A 14 ALA C . 19532 1 197 . 1 1 14 14 ALA CA C 13 54.946 0.1000 . 1 . . . A 14 ALA CA . 19532 1 198 . 1 1 14 14 ALA CB C 13 17.106 0.1000 . 1 . . . A 14 ALA CB . 19532 1 199 . 1 1 14 14 ALA N N 15 122.920 0.1000 . 1 . . . A 14 ALA N . 19532 1 200 . 1 1 15 15 VAL H H 1 8.279 0.0100 . 1 . . . A 15 VAL H . 19532 1 201 . 1 1 15 15 VAL HA H 1 3.522 0.0100 . 1 . . . A 15 VAL HA . 19532 1 202 . 1 1 15 15 VAL HB H 1 2.220 0.0100 . 1 . . . A 15 VAL HB . 19532 1 203 . 1 1 15 15 VAL HG11 H 1 0.927 0.0100 . 2 . . . A 15 VAL HG11 . 19532 1 204 . 1 1 15 15 VAL HG12 H 1 0.927 0.0100 . 2 . . . A 15 VAL HG12 . 19532 1 205 . 1 1 15 15 VAL HG13 H 1 0.927 0.0100 . 2 . . . A 15 VAL HG13 . 19532 1 206 . 1 1 15 15 VAL HG21 H 1 0.995 0.0100 . 2 . . . A 15 VAL HG21 . 19532 1 207 . 1 1 15 15 VAL HG22 H 1 0.995 0.0100 . 2 . . . A 15 VAL HG22 . 19532 1 208 . 1 1 15 15 VAL HG23 H 1 0.995 0.0100 . 2 . . . A 15 VAL HG23 . 19532 1 209 . 1 1 15 15 VAL C C 13 177.318 0.1000 . 1 . . . A 15 VAL C . 19532 1 210 . 1 1 15 15 VAL CA C 13 66.820 0.1000 . 1 . . . A 15 VAL CA . 19532 1 211 . 1 1 15 15 VAL CB C 13 30.969 0.1000 . 1 . . . A 15 VAL CB . 19532 1 212 . 1 1 15 15 VAL CG1 C 13 21.619 0.1000 . 1 . . . A 15 VAL CG1 . 19532 1 213 . 1 1 15 15 VAL CG2 C 13 22.326 0.1000 . 1 . . . A 15 VAL CG2 . 19532 1 214 . 1 1 15 15 VAL N N 15 118.461 0.1000 . 1 . . . A 15 VAL N . 19532 1 215 . 1 1 16 16 ILE H H 1 8.513 0.0100 . 1 . . . A 16 ILE H . 19532 1 216 . 1 1 16 16 ILE HA H 1 3.959 0.0100 . 1 . . . A 16 ILE HA . 19532 1 217 . 1 1 16 16 ILE HB H 1 2.076 0.0100 . 1 . . . A 16 ILE HB . 19532 1 218 . 1 1 16 16 ILE HG12 H 1 1.776 0.0100 . 2 . . . A 16 ILE HG12 . 19532 1 219 . 1 1 16 16 ILE HG13 H 1 0.964 0.0100 . 2 . . . A 16 ILE HG13 . 19532 1 220 . 1 1 16 16 ILE HG21 H 1 0.802 0.0100 . 1 . . . A 16 ILE HG21 . 19532 1 221 . 1 1 16 16 ILE HG22 H 1 0.802 0.0100 . 1 . . . A 16 ILE HG22 . 19532 1 222 . 1 1 16 16 ILE HG23 H 1 0.802 0.0100 . 1 . . . A 16 ILE HG23 . 19532 1 223 . 1 1 16 16 ILE HD11 H 1 0.935 0.0100 . 1 . . . A 16 ILE HD11 . 19532 1 224 . 1 1 16 16 ILE HD12 H 1 0.935 0.0100 . 1 . . . A 16 ILE HD12 . 19532 1 225 . 1 1 16 16 ILE HD13 H 1 0.935 0.0100 . 1 . . . A 16 ILE HD13 . 19532 1 226 . 1 1 16 16 ILE C C 13 179.667 0.1000 . 1 . . . A 16 ILE C . 19532 1 227 . 1 1 16 16 ILE CA C 13 64.513 0.1000 . 1 . . . A 16 ILE CA . 19532 1 228 . 1 1 16 16 ILE CB C 13 36.631 0.1000 . 1 . . . A 16 ILE CB . 19532 1 229 . 1 1 16 16 ILE CG1 C 13 28.642 0.1000 . 1 . . . A 16 ILE CG1 . 19532 1 230 . 1 1 16 16 ILE CG2 C 13 15.654 0.1000 . 1 . . . A 16 ILE CG2 . 19532 1 231 . 1 1 16 16 ILE CD1 C 13 13.019 0.1000 . 1 . . . A 16 ILE CD1 . 19532 1 232 . 1 1 16 16 ILE N N 15 120.977 0.1000 . 1 . . . A 16 ILE N . 19532 1 233 . 1 1 17 17 ALA H H 1 8.041 0.0100 . 1 . . . A 17 ALA H . 19532 1 234 . 1 1 17 17 ALA HA H 1 4.085 0.0100 . 1 . . . A 17 ALA HA . 19532 1 235 . 1 1 17 17 ALA HB1 H 1 1.470 0.0100 . 1 . . . A 17 ALA HB1 . 19532 1 236 . 1 1 17 17 ALA HB2 H 1 1.470 0.0100 . 1 . . . A 17 ALA HB2 . 19532 1 237 . 1 1 17 17 ALA HB3 H 1 1.470 0.0100 . 1 . . . A 17 ALA HB3 . 19532 1 238 . 1 1 17 17 ALA C C 13 177.701 0.1000 . 1 . . . A 17 ALA C . 19532 1 239 . 1 1 17 17 ALA CA C 13 54.890 0.1000 . 1 . . . A 17 ALA CA . 19532 1 240 . 1 1 17 17 ALA CB C 13 17.352 0.1000 . 1 . . . A 17 ALA CB . 19532 1 241 . 1 1 17 17 ALA N N 15 122.195 0.1000 . 1 . . . A 17 ALA N . 19532 1 242 . 1 1 18 18 MET H H 1 8.631 0.0100 . 1 . . . A 18 MET H . 19532 1 243 . 1 1 18 18 MET HA H 1 4.240 0.0100 . 1 . . . A 18 MET HA . 19532 1 244 . 1 1 18 18 MET HB2 H 1 2.267 0.0100 . 2 . . . A 18 MET HB2 . 19532 1 245 . 1 1 18 18 MET HB3 H 1 2.067 0.0100 . 2 . . . A 18 MET HB3 . 19532 1 246 . 1 1 18 18 MET HG2 H 1 2.479 0.0100 . 2 . . . A 18 MET HG2 . 19532 1 247 . 1 1 18 18 MET HG3 H 1 2.717 0.0100 . 2 . . . A 18 MET HG3 . 19532 1 248 . 1 1 18 18 MET HE1 H 1 1.931 0.0100 . 1 . . . A 18 MET HE1 . 19532 1 249 . 1 1 18 18 MET HE2 H 1 1.931 0.0100 . 1 . . . A 18 MET HE2 . 19532 1 250 . 1 1 18 18 MET HE3 H 1 1.931 0.0100 . 1 . . . A 18 MET HE3 . 19532 1 251 . 1 1 18 18 MET C C 13 177.864 0.1000 . 1 . . . A 18 MET C . 19532 1 252 . 1 1 18 18 MET CA C 13 58.887 0.1000 . 1 . . . A 18 MET CA . 19532 1 253 . 1 1 18 18 MET CB C 13 32.366 0.1000 . 1 . . . A 18 MET CB . 19532 1 254 . 1 1 18 18 MET CG C 13 32.179 0.1000 . 1 . . . A 18 MET CG . 19532 1 255 . 1 1 18 18 MET CE C 13 16.524 0.1000 . 1 . . . A 18 MET CE . 19532 1 256 . 1 1 18 18 MET N N 15 117.769 0.1000 . 1 . . . A 18 MET N . 19532 1 257 . 1 1 19 19 GLU H H 1 8.925 0.0100 . 1 . . . A 19 GLU H . 19532 1 258 . 1 1 19 19 GLU HA H 1 3.905 0.0100 . 1 . . . A 19 GLU HA . 19532 1 259 . 1 1 19 19 GLU HB2 H 1 1.890 0.0100 . 2 . . . A 19 GLU HB2 . 19532 1 260 . 1 1 19 19 GLU HB3 H 1 2.455 0.0100 . 2 . . . A 19 GLU HB3 . 19532 1 261 . 1 1 19 19 GLU HG2 H 1 2.796 0.0100 . 1 . . . A 19 GLU HG2 . 19532 1 262 . 1 1 19 19 GLU HG3 H 1 2.796 0.0100 . 1 . . . A 19 GLU HG3 . 19532 1 263 . 1 1 19 19 GLU C C 13 176.531 0.1000 . 1 . . . A 19 GLU C . 19532 1 264 . 1 1 19 19 GLU CA C 13 59.333 0.1000 . 1 . . . A 19 GLU CA . 19532 1 265 . 1 1 19 19 GLU CB C 13 27.157 0.1000 . 1 . . . A 19 GLU CB . 19532 1 266 . 1 1 19 19 GLU CG C 13 34.081 0.1000 . 1 . . . A 19 GLU CG . 19532 1 267 . 1 1 19 19 GLU N N 15 115.854 0.1000 . 1 . . . A 19 GLU N . 19532 1 268 . 1 1 20 20 PHE H H 1 8.114 0.0100 . 1 . . . A 20 PHE H . 19532 1 269 . 1 1 20 20 PHE HA H 1 4.178 0.0100 . 1 . . . A 20 PHE HA . 19532 1 270 . 1 1 20 20 PHE HB2 H 1 3.468 0.0100 . 2 . . . A 20 PHE HB2 . 19532 1 271 . 1 1 20 20 PHE HB3 H 1 3.211 0.0100 . 2 . . . A 20 PHE HB3 . 19532 1 272 . 1 1 20 20 PHE HD1 H 1 7.104 0.0100 . 1 . . . A 20 PHE HD1 . 19532 1 273 . 1 1 20 20 PHE HD2 H 1 7.104 0.0100 . 1 . . . A 20 PHE HD2 . 19532 1 274 . 1 1 20 20 PHE HE1 H 1 6.996 0.0100 . 1 . . . A 20 PHE HE1 . 19532 1 275 . 1 1 20 20 PHE HE2 H 1 6.996 0.0100 . 1 . . . A 20 PHE HE2 . 19532 1 276 . 1 1 20 20 PHE HZ H 1 6.952 0.0100 . 1 . . . A 20 PHE HZ . 19532 1 277 . 1 1 20 20 PHE C C 13 176.051 0.1000 . 1 . . . A 20 PHE C . 19532 1 278 . 1 1 20 20 PHE CA C 13 61.141 0.1000 . 1 . . . A 20 PHE CA . 19532 1 279 . 1 1 20 20 PHE CB C 13 38.231 0.1000 . 1 . . . A 20 PHE CB . 19532 1 280 . 1 1 20 20 PHE CD1 C 13 131.117 0.1000 . 1 . . . A 20 PHE CD1 . 19532 1 281 . 1 1 20 20 PHE CE1 C 13 129.638 0.1000 . 1 . . . A 20 PHE CE1 . 19532 1 282 . 1 1 20 20 PHE CZ C 13 127.794 0.1000 . 1 . . . A 20 PHE CZ . 19532 1 283 . 1 1 20 20 PHE N N 15 119.967 0.1000 . 1 . . . A 20 PHE N . 19532 1 284 . 1 1 21 21 TRP H H 1 8.581 0.0100 . 1 . . . A 21 TRP H . 19532 1 285 . 1 1 21 21 TRP HA H 1 4.189 0.0100 . 1 . . . A 21 TRP HA . 19532 1 286 . 1 1 21 21 TRP HB2 H 1 3.564 0.0100 . 2 . . . A 21 TRP HB2 . 19532 1 287 . 1 1 21 21 TRP HB3 H 1 3.316 0.0100 . 2 . . . A 21 TRP HB3 . 19532 1 288 . 1 1 21 21 TRP HD1 H 1 7.014 0.0100 . 1 . . . A 21 TRP HD1 . 19532 1 289 . 1 1 21 21 TRP HE1 H 1 9.139 0.0100 . 1 . . . A 21 TRP HE1 . 19532 1 290 . 1 1 21 21 TRP HE3 H 1 7.547 0.0100 . 1 . . . A 21 TRP HE3 . 19532 1 291 . 1 1 21 21 TRP HZ2 H 1 7.240 0.0100 . 1 . . . A 21 TRP HZ2 . 19532 1 292 . 1 1 21 21 TRP HZ3 H 1 6.896 0.0100 . 1 . . . A 21 TRP HZ3 . 19532 1 293 . 1 1 21 21 TRP HH2 H 1 6.980 0.0100 . 1 . . . A 21 TRP HH2 . 19532 1 294 . 1 1 21 21 TRP C C 13 176.652 0.1000 . 1 . . . A 21 TRP C . 19532 1 295 . 1 1 21 21 TRP CA C 13 60.373 0.1000 . 1 . . . A 21 TRP CA . 19532 1 296 . 1 1 21 21 TRP CB C 13 28.221 0.1000 . 1 . . . A 21 TRP CB . 19532 1 297 . 1 1 21 21 TRP CD1 C 13 124.407 0.1000 . 1 . . . A 21 TRP CD1 . 19532 1 298 . 1 1 21 21 TRP CE3 C 13 120.221 0.1000 . 1 . . . A 21 TRP CE3 . 19532 1 299 . 1 1 21 21 TRP CZ2 C 13 112.957 0.1000 . 1 . . . A 21 TRP CZ2 . 19532 1 300 . 1 1 21 21 TRP CZ3 C 13 120.784 0.1000 . 1 . . . A 21 TRP CZ3 . 19532 1 301 . 1 1 21 21 TRP CH2 C 13 123.235 0.1000 . 1 . . . A 21 TRP CH2 . 19532 1 302 . 1 1 21 21 TRP N N 15 119.487 0.1000 . 1 . . . A 21 TRP N . 19532 1 303 . 1 1 21 21 TRP NE1 N 15 124.277 0.1000 . 1 . . . A 21 TRP NE1 . 19532 1 304 . 1 1 22 22 LEU H H 1 8.140 0.0100 . 1 . . . A 22 LEU H . 19532 1 305 . 1 1 22 22 LEU HA H 1 3.749 0.0100 . 1 . . . A 22 LEU HA . 19532 1 306 . 1 1 22 22 LEU HB2 H 1 1.870 0.0100 . 2 . . . A 22 LEU HB2 . 19532 1 307 . 1 1 22 22 LEU HB3 H 1 1.620 0.0100 . 2 . . . A 22 LEU HB3 . 19532 1 308 . 1 1 22 22 LEU HG H 1 1.849 0.0100 . 1 . . . A 22 LEU HG . 19532 1 309 . 1 1 22 22 LEU HD11 H 1 0.864 0.0100 . 2 . . . A 22 LEU HD11 . 19532 1 310 . 1 1 22 22 LEU HD12 H 1 0.864 0.0100 . 2 . . . A 22 LEU HD12 . 19532 1 311 . 1 1 22 22 LEU HD13 H 1 0.864 0.0100 . 2 . . . A 22 LEU HD13 . 19532 1 312 . 1 1 22 22 LEU HD21 H 1 0.784 0.0100 . 2 . . . A 22 LEU HD21 . 19532 1 313 . 1 1 22 22 LEU HD22 H 1 0.784 0.0100 . 2 . . . A 22 LEU HD22 . 19532 1 314 . 1 1 22 22 LEU HD23 H 1 0.784 0.0100 . 2 . . . A 22 LEU HD23 . 19532 1 315 . 1 1 22 22 LEU C C 13 177.548 0.1000 . 1 . . . A 22 LEU C . 19532 1 316 . 1 1 22 22 LEU CA C 13 57.505 0.1000 . 1 . . . A 22 LEU CA . 19532 1 317 . 1 1 22 22 LEU CB C 13 41.329 0.1000 . 1 . . . A 22 LEU CB . 19532 1 318 . 1 1 22 22 LEU CG C 13 26.274 0.1000 . 1 . . . A 22 LEU CG . 19532 1 319 . 1 1 22 22 LEU CD1 C 13 23.871 0.1000 . 1 . . . A 22 LEU CD1 . 19532 1 320 . 1 1 22 22 LEU CD2 C 13 24.139 0.1000 . 1 . . . A 22 LEU CD2 . 19532 1 321 . 1 1 22 22 LEU N N 15 116.968 0.1000 . 1 . . . A 22 LEU N . 19532 1 322 . 1 1 23 23 LEU H H 1 8.109 0.0100 . 1 . . . A 23 LEU H . 19532 1 323 . 1 1 23 23 LEU HA H 1 3.762 0.0100 . 1 . . . A 23 LEU HA . 19532 1 324 . 1 1 23 23 LEU HB2 H 1 1.902 0.0100 . 2 . . . A 23 LEU HB2 . 19532 1 325 . 1 1 23 23 LEU HB3 H 1 1.398 0.0100 . 2 . . . A 23 LEU HB3 . 19532 1 326 . 1 1 23 23 LEU HG H 1 1.657 0.0100 . 1 . . . A 23 LEU HG . 19532 1 327 . 1 1 23 23 LEU HD11 H 1 0.876 0.0100 . 2 . . . A 23 LEU HD11 . 19532 1 328 . 1 1 23 23 LEU HD12 H 1 0.876 0.0100 . 2 . . . A 23 LEU HD12 . 19532 1 329 . 1 1 23 23 LEU HD13 H 1 0.876 0.0100 . 2 . . . A 23 LEU HD13 . 19532 1 330 . 1 1 23 23 LEU HD21 H 1 0.773 0.0100 . 2 . . . A 23 LEU HD21 . 19532 1 331 . 1 1 23 23 LEU HD22 H 1 0.773 0.0100 . 2 . . . A 23 LEU HD22 . 19532 1 332 . 1 1 23 23 LEU HD23 H 1 0.773 0.0100 . 2 . . . A 23 LEU HD23 . 19532 1 333 . 1 1 23 23 LEU C C 13 177.559 0.1000 . 1 . . . A 23 LEU C . 19532 1 334 . 1 1 23 23 LEU CA C 13 57.922 0.1000 . 1 . . . A 23 LEU CA . 19532 1 335 . 1 1 23 23 LEU CB C 13 41.351 0.1000 . 1 . . . A 23 LEU CB . 19532 1 336 . 1 1 23 23 LEU CG C 13 26.466 0.1000 . 1 . . . A 23 LEU CG . 19532 1 337 . 1 1 23 23 LEU CD1 C 13 24.090 0.1000 . 1 . . . A 23 LEU CD1 . 19532 1 338 . 1 1 23 23 LEU CD2 C 13 24.107 0.1000 . 1 . . . A 23 LEU CD2 . 19532 1 339 . 1 1 23 23 LEU N N 15 118.881 0.1000 . 1 . . . A 23 LEU N . 19532 1 340 . 1 1 24 24 LEU H H 1 8.175 0.0100 . 1 . . . A 24 LEU H . 19532 1 341 . 1 1 24 24 LEU HA H 1 3.707 0.0100 . 1 . . . A 24 LEU HA . 19532 1 342 . 1 1 24 24 LEU HB2 H 1 1.463 0.0100 . 1 . . . A 24 LEU HB2 . 19532 1 343 . 1 1 24 24 LEU HB3 H 1 1.463 0.0100 . 1 . . . A 24 LEU HB3 . 19532 1 344 . 1 1 24 24 LEU HG H 1 1.428 0.0100 . 1 . . . A 24 LEU HG . 19532 1 345 . 1 1 24 24 LEU HD11 H 1 0.668 0.0100 . 2 . . . A 24 LEU HD11 . 19532 1 346 . 1 1 24 24 LEU HD12 H 1 0.668 0.0100 . 2 . . . A 24 LEU HD12 . 19532 1 347 . 1 1 24 24 LEU HD13 H 1 0.668 0.0100 . 2 . . . A 24 LEU HD13 . 19532 1 348 . 1 1 24 24 LEU HD21 H 1 0.691 0.0100 . 2 . . . A 24 LEU HD21 . 19532 1 349 . 1 1 24 24 LEU HD22 H 1 0.691 0.0100 . 2 . . . A 24 LEU HD22 . 19532 1 350 . 1 1 24 24 LEU HD23 H 1 0.691 0.0100 . 2 . . . A 24 LEU HD23 . 19532 1 351 . 1 1 24 24 LEU C C 13 178.138 0.1000 . 1 . . . A 24 LEU C . 19532 1 352 . 1 1 24 24 LEU CA C 13 57.727 0.1000 . 1 . . . A 24 LEU CA . 19532 1 353 . 1 1 24 24 LEU CB C 13 40.703 0.1000 . 1 . . . A 24 LEU CB . 19532 1 354 . 1 1 24 24 LEU CG C 13 26.028 0.1000 . 1 . . . A 24 LEU CG . 19532 1 355 . 1 1 24 24 LEU CD1 C 13 23.485 0.1000 . 1 . . . A 24 LEU CD1 . 19532 1 356 . 1 1 24 24 LEU CD2 C 13 24.206 0.1000 . 1 . . . A 24 LEU CD2 . 19532 1 357 . 1 1 24 24 LEU N N 15 118.480 0.1000 . 1 . . . A 24 LEU N . 19532 1 358 . 1 1 25 25 VAL H H 1 8.247 0.0100 . 1 . . . A 25 VAL H . 19532 1 359 . 1 1 25 25 VAL HA H 1 3.425 0.0100 . 1 . . . A 25 VAL HA . 19532 1 360 . 1 1 25 25 VAL HB H 1 2.040 0.0100 . 1 . . . A 25 VAL HB . 19532 1 361 . 1 1 25 25 VAL HG11 H 1 0.544 0.0100 . 2 . . . A 25 VAL HG11 . 19532 1 362 . 1 1 25 25 VAL HG12 H 1 0.544 0.0100 . 2 . . . A 25 VAL HG12 . 19532 1 363 . 1 1 25 25 VAL HG13 H 1 0.544 0.0100 . 2 . . . A 25 VAL HG13 . 19532 1 364 . 1 1 25 25 VAL HG21 H 1 0.760 0.0100 . 2 . . . A 25 VAL HG21 . 19532 1 365 . 1 1 25 25 VAL HG22 H 1 0.760 0.0100 . 2 . . . A 25 VAL HG22 . 19532 1 366 . 1 1 25 25 VAL HG23 H 1 0.760 0.0100 . 2 . . . A 25 VAL HG23 . 19532 1 367 . 1 1 25 25 VAL C C 13 177.919 0.1000 . 1 . . . A 25 VAL C . 19532 1 368 . 1 1 25 25 VAL CA C 13 66.412 0.1000 . 1 . . . A 25 VAL CA . 19532 1 369 . 1 1 25 25 VAL CB C 13 30.598 0.1000 . 1 . . . A 25 VAL CB . 19532 1 370 . 1 1 25 25 VAL CG1 C 13 21.601 0.1000 . 1 . . . A 25 VAL CG1 . 19532 1 371 . 1 1 25 25 VAL CG2 C 13 20.625 0.1000 . 1 . . . A 25 VAL CG2 . 19532 1 372 . 1 1 25 25 VAL N N 15 117.639 0.1000 . 1 . . . A 25 VAL N . 19532 1 373 . 1 1 26 26 ILE H H 1 8.202 0.0100 . 1 . . . A 26 ILE H . 19532 1 374 . 1 1 26 26 ILE HA H 1 3.592 0.0100 . 1 . . . A 26 ILE HA . 19532 1 375 . 1 1 26 26 ILE HB H 1 1.918 0.0100 . 1 . . . A 26 ILE HB . 19532 1 376 . 1 1 26 26 ILE HG12 H 1 1.010 0.0100 . 2 . . . A 26 ILE HG12 . 19532 1 377 . 1 1 26 26 ILE HG13 H 1 1.731 0.0100 . 2 . . . A 26 ILE HG13 . 19532 1 378 . 1 1 26 26 ILE HG21 H 1 0.804 0.0100 . 1 . . . A 26 ILE HG21 . 19532 1 379 . 1 1 26 26 ILE HG22 H 1 0.804 0.0100 . 1 . . . A 26 ILE HG22 . 19532 1 380 . 1 1 26 26 ILE HG23 H 1 0.804 0.0100 . 1 . . . A 26 ILE HG23 . 19532 1 381 . 1 1 26 26 ILE HD11 H 1 0.727 0.0100 . 1 . . . A 26 ILE HD11 . 19532 1 382 . 1 1 26 26 ILE HD12 H 1 0.727 0.0100 . 1 . . . A 26 ILE HD12 . 19532 1 383 . 1 1 26 26 ILE HD13 H 1 0.727 0.0100 . 1 . . . A 26 ILE HD13 . 19532 1 384 . 1 1 26 26 ILE C C 13 178.973 0.1000 . 1 . . . A 26 ILE C . 19532 1 385 . 1 1 26 26 ILE CA C 13 64.710 0.1000 . 1 . . . A 26 ILE CA . 19532 1 386 . 1 1 26 26 ILE CB C 13 36.943 0.1000 . 1 . . . A 26 ILE CB . 19532 1 387 . 1 1 26 26 ILE CG1 C 13 28.773 0.1000 . 1 . . . A 26 ILE CG1 . 19532 1 388 . 1 1 26 26 ILE CG2 C 13 16.823 0.1000 . 1 . . . A 26 ILE CG2 . 19532 1 389 . 1 1 26 26 ILE CD1 C 13 12.753 0.1000 . 1 . . . A 26 ILE CD1 . 19532 1 390 . 1 1 26 26 ILE N N 15 119.157 0.1000 . 1 . . . A 26 ILE N . 19532 1 391 . 1 1 27 27 ILE H H 1 8.744 0.0100 . 1 . . . A 27 ILE H . 19532 1 392 . 1 1 27 27 ILE HA H 1 3.546 0.0100 . 1 . . . A 27 ILE HA . 19532 1 393 . 1 1 27 27 ILE HB H 1 1.971 0.0100 . 1 . . . A 27 ILE HB . 19532 1 394 . 1 1 27 27 ILE HG12 H 1 0.967 0.0100 . 2 . . . A 27 ILE HG12 . 19532 1 395 . 1 1 27 27 ILE HG13 H 1 1.821 0.0100 . 2 . . . A 27 ILE HG13 . 19532 1 396 . 1 1 27 27 ILE HG21 H 1 0.808 0.0100 . 1 . . . A 27 ILE HG21 . 19532 1 397 . 1 1 27 27 ILE HG22 H 1 0.808 0.0100 . 1 . . . A 27 ILE HG22 . 19532 1 398 . 1 1 27 27 ILE HG23 H 1 0.808 0.0100 . 1 . . . A 27 ILE HG23 . 19532 1 399 . 1 1 27 27 ILE HD11 H 1 0.731 0.0100 . 1 . . . A 27 ILE HD11 . 19532 1 400 . 1 1 27 27 ILE HD12 H 1 0.731 0.0100 . 1 . . . A 27 ILE HD12 . 19532 1 401 . 1 1 27 27 ILE HD13 H 1 0.731 0.0100 . 1 . . . A 27 ILE HD13 . 19532 1 402 . 1 1 27 27 ILE C C 13 177.416 0.1000 . 1 . . . A 27 ILE C . 19532 1 403 . 1 1 27 27 ILE CA C 13 65.361 0.1000 . 1 . . . A 27 ILE CA . 19532 1 404 . 1 1 27 27 ILE CB C 13 36.861 0.1000 . 1 . . . A 27 ILE CB . 19532 1 405 . 1 1 27 27 ILE CG1 C 13 28.856 0.1000 . 1 . . . A 27 ILE CG1 . 19532 1 406 . 1 1 27 27 ILE CG2 C 13 16.538 0.1000 . 1 . . . A 27 ILE CG2 . 19532 1 407 . 1 1 27 27 ILE CD1 C 13 12.622 0.1000 . 1 . . . A 27 ILE CD1 . 19532 1 408 . 1 1 27 27 ILE N N 15 123.208 0.1000 . 1 . . . A 27 ILE N . 19532 1 409 . 1 1 28 28 LEU H H 1 8.752 0.0100 . 1 . . . A 28 LEU H . 19532 1 410 . 1 1 28 28 LEU HA H 1 3.973 0.0100 . 1 . . . A 28 LEU HA . 19532 1 411 . 1 1 28 28 LEU HB2 H 1 1.908 0.0100 . 2 . . . A 28 LEU HB2 . 19532 1 412 . 1 1 28 28 LEU HB3 H 1 1.480 0.0100 . 2 . . . A 28 LEU HB3 . 19532 1 413 . 1 1 28 28 LEU HG H 1 1.832 0.0100 . 1 . . . A 28 LEU HG . 19532 1 414 . 1 1 28 28 LEU HD11 H 1 0.842 0.0100 . 2 . . . A 28 LEU HD11 . 19532 1 415 . 1 1 28 28 LEU HD12 H 1 0.842 0.0100 . 2 . . . A 28 LEU HD12 . 19532 1 416 . 1 1 28 28 LEU HD13 H 1 0.842 0.0100 . 2 . . . A 28 LEU HD13 . 19532 1 417 . 1 1 28 28 LEU HD21 H 1 0.839 0.0100 . 2 . . . A 28 LEU HD21 . 19532 1 418 . 1 1 28 28 LEU HD22 H 1 0.839 0.0100 . 2 . . . A 28 LEU HD22 . 19532 1 419 . 1 1 28 28 LEU HD23 H 1 0.839 0.0100 . 2 . . . A 28 LEU HD23 . 19532 1 420 . 1 1 28 28 LEU C C 13 178.771 0.1000 . 1 . . . A 28 LEU C . 19532 1 421 . 1 1 28 28 LEU CA C 13 57.575 0.1000 . 1 . . . A 28 LEU CA . 19532 1 422 . 1 1 28 28 LEU CB C 13 40.649 0.1000 . 1 . . . A 28 LEU CB . 19532 1 423 . 1 1 28 28 LEU CG C 13 26.524 0.1000 . 1 . . . A 28 LEU CG . 19532 1 424 . 1 1 28 28 LEU CD1 C 13 24.506 0.1000 . 1 . . . A 28 LEU CD1 . 19532 1 425 . 1 1 28 28 LEU CD2 C 13 22.551 0.1000 . 1 . . . A 28 LEU CD2 . 19532 1 426 . 1 1 28 28 LEU N N 15 120.044 0.1000 . 1 . . . A 28 LEU N . 19532 1 427 . 1 1 29 29 ARG H H 1 8.085 0.0100 . 1 . . . A 29 ARG H . 19532 1 428 . 1 1 29 29 ARG HA H 1 4.046 0.0100 . 1 . . . A 29 ARG HA . 19532 1 429 . 1 1 29 29 ARG HB2 H 1 1.940 0.0100 . 2 . . . A 29 ARG HB2 . 19532 1 430 . 1 1 29 29 ARG HB3 H 1 1.915 0.0100 . 2 . . . A 29 ARG HB3 . 19532 1 431 . 1 1 29 29 ARG HG2 H 1 1.814 0.0100 . 2 . . . A 29 ARG HG2 . 19532 1 432 . 1 1 29 29 ARG HG3 H 1 1.716 0.0100 . 2 . . . A 29 ARG HG3 . 19532 1 433 . 1 1 29 29 ARG HD2 H 1 3.068 0.0100 . 2 . . . A 29 ARG HD2 . 19532 1 434 . 1 1 29 29 ARG HD3 H 1 3.108 0.0100 . 2 . . . A 29 ARG HD3 . 19532 1 435 . 1 1 29 29 ARG HE H 1 7.558 0.0100 . 1 . . . A 29 ARG HE . 19532 1 436 . 1 1 29 29 ARG HH21 H 1 6.901 0.0100 . 1 . . . A 29 ARG HH21 . 19532 1 437 . 1 1 29 29 ARG HH22 H 1 6.901 0.0100 . 1 . . . A 29 ARG HH22 . 19532 1 438 . 1 1 29 29 ARG C C 13 177.555 0.1000 . 1 . . . A 29 ARG C . 19532 1 439 . 1 1 29 29 ARG CA C 13 57.662 0.1000 . 1 . . . A 29 ARG CA . 19532 1 440 . 1 1 29 29 ARG CB C 13 29.532 0.1000 . 1 . . . A 29 ARG CB . 19532 1 441 . 1 1 29 29 ARG CG C 13 27.017 0.1000 . 1 . . . A 29 ARG CG . 19532 1 442 . 1 1 29 29 ARG CD C 13 42.534 0.1000 . 1 . . . A 29 ARG CD . 19532 1 443 . 1 1 29 29 ARG N N 15 116.435 0.1000 . 1 . . . A 29 ARG N . 19532 1 444 . 1 1 29 29 ARG NE N 15 84.343 0.1000 . 1 . . . A 29 ARG NE . 19532 1 445 . 1 1 29 29 ARG NH2 N 15 72.508 0.1000 . 1 . . . A 29 ARG NH2 . 19532 1 446 . 1 1 30 30 THR H H 1 7.874 0.0100 . 1 . . . A 30 THR H . 19532 1 447 . 1 1 30 30 THR HA H 1 4.078 0.0100 . 1 . . . A 30 THR HA . 19532 1 448 . 1 1 30 30 THR HB H 1 4.301 0.0100 . 1 . . . A 30 THR HB . 19532 1 449 . 1 1 30 30 THR HG1 H 1 4.558 0.0100 . 1 . . . A 30 THR HG1 . 19532 1 450 . 1 1 30 30 THR HG21 H 1 1.201 0.0100 . 1 . . . A 30 THR HG21 . 19532 1 451 . 1 1 30 30 THR HG22 H 1 1.201 0.0100 . 1 . . . A 30 THR HG22 . 19532 1 452 . 1 1 30 30 THR HG23 H 1 1.201 0.0100 . 1 . . . A 30 THR HG23 . 19532 1 453 . 1 1 30 30 THR C C 13 175.493 0.1000 . 1 . . . A 30 THR C . 19532 1 454 . 1 1 30 30 THR CA C 13 64.777 0.1000 . 1 . . . A 30 THR CA . 19532 1 455 . 1 1 30 30 THR CB C 13 68.437 0.1000 . 1 . . . A 30 THR CB . 19532 1 456 . 1 1 30 30 THR CG2 C 13 20.809 0.1000 . 1 . . . A 30 THR CG2 . 19532 1 457 . 1 1 30 30 THR N N 15 113.598 0.1000 . 1 . . . A 30 THR N . 19532 1 458 . 1 1 31 31 VAL H H 1 8.197 0.0100 . 1 . . . A 31 VAL H . 19532 1 459 . 1 1 31 31 VAL HA H 1 3.866 0.0100 . 1 . . . A 31 VAL HA . 19532 1 460 . 1 1 31 31 VAL HB H 1 2.206 0.0100 . 1 . . . A 31 VAL HB . 19532 1 461 . 1 1 31 31 VAL HG11 H 1 0.946 0.0100 . 2 . . . A 31 VAL HG11 . 19532 1 462 . 1 1 31 31 VAL HG12 H 1 0.946 0.0100 . 2 . . . A 31 VAL HG12 . 19532 1 463 . 1 1 31 31 VAL HG13 H 1 0.946 0.0100 . 2 . . . A 31 VAL HG13 . 19532 1 464 . 1 1 31 31 VAL HG21 H 1 1.015 0.0100 . 2 . . . A 31 VAL HG21 . 19532 1 465 . 1 1 31 31 VAL HG22 H 1 1.015 0.0100 . 2 . . . A 31 VAL HG22 . 19532 1 466 . 1 1 31 31 VAL HG23 H 1 1.015 0.0100 . 2 . . . A 31 VAL HG23 . 19532 1 467 . 1 1 31 31 VAL C C 13 176.313 0.1000 . 1 . . . A 31 VAL C . 19532 1 468 . 1 1 31 31 VAL CA C 13 64.224 0.1000 . 1 . . . A 31 VAL CA . 19532 1 469 . 1 1 31 31 VAL CB C 13 31.281 0.1000 . 1 . . . A 31 VAL CB . 19532 1 470 . 1 1 31 31 VAL CG1 C 13 20.725 0.1000 . 1 . . . A 31 VAL CG1 . 19532 1 471 . 1 1 31 31 VAL CG2 C 13 21.102 0.1000 . 1 . . . A 31 VAL CG2 . 19532 1 472 . 1 1 31 31 VAL N N 15 120.483 0.1000 . 1 . . . A 31 VAL N . 19532 1 473 . 1 1 32 32 LYS H H 1 7.954 0.0100 . 1 . . . A 32 LYS H . 19532 1 474 . 1 1 32 32 LYS HA H 1 4.200 0.0100 . 1 . . . A 32 LYS HA . 19532 1 475 . 1 1 32 32 LYS HB3 H 1 1.835 0.0100 . 1 . . . A 32 LYS HB3 . 19532 1 476 . 1 1 32 32 LYS HG2 H 1 1.496 0.0100 . 2 . . . A 32 LYS HG2 . 19532 1 477 . 1 1 32 32 LYS HG3 H 1 1.445 0.0100 . 2 . . . A 32 LYS HG3 . 19532 1 478 . 1 1 32 32 LYS HD2 H 1 1.672 0.0100 . 1 . . . A 32 LYS HD2 . 19532 1 479 . 1 1 32 32 LYS HD3 H 1 1.672 0.0100 . 1 . . . A 32 LYS HD3 . 19532 1 480 . 1 1 32 32 LYS HE2 H 1 2.965 0.0100 . 1 . . . A 32 LYS HE2 . 19532 1 481 . 1 1 32 32 LYS HE3 H 1 2.965 0.0100 . 1 . . . A 32 LYS HE3 . 19532 1 482 . 1 1 32 32 LYS C C 13 176.794 0.1000 . 1 . . . A 32 LYS C . 19532 1 483 . 1 1 32 32 LYS CA C 13 56.963 0.1000 . 1 . . . A 32 LYS CA . 19532 1 484 . 1 1 32 32 LYS CB C 13 31.726 0.1000 . 1 . . . A 32 LYS CB . 19532 1 485 . 1 1 32 32 LYS CG C 13 24.353 0.1000 . 1 . . . A 32 LYS CG . 19532 1 486 . 1 1 32 32 LYS CD C 13 28.387 0.1000 . 1 . . . A 32 LYS CD . 19532 1 487 . 1 1 32 32 LYS CE C 13 41.232 0.1000 . 1 . . . A 32 LYS CE . 19532 1 488 . 1 1 32 32 LYS N N 15 120.587 0.1000 . 1 . . . A 32 LYS N . 19532 1 489 . 1 1 33 33 ARG H H 1 7.877 0.0100 . 1 . . . A 33 ARG H . 19532 1 490 . 1 1 33 33 ARG HA H 1 4.225 0.0100 . 1 . . . A 33 ARG HA . 19532 1 491 . 1 1 33 33 ARG HB2 H 1 1.856 0.0100 . 2 . . . A 33 ARG HB2 . 19532 1 492 . 1 1 33 33 ARG HB3 H 1 1.919 0.0100 . 2 . . . A 33 ARG HB3 . 19532 1 493 . 1 1 33 33 ARG HG2 H 1 1.645 0.0100 . 2 . . . A 33 ARG HG2 . 19532 1 494 . 1 1 33 33 ARG HG3 H 1 1.694 0.0100 . 2 . . . A 33 ARG HG3 . 19532 1 495 . 1 1 33 33 ARG HD2 H 1 3.205 0.0100 . 1 . . . A 33 ARG HD2 . 19532 1 496 . 1 1 33 33 ARG HD3 H 1 3.205 0.0100 . 1 . . . A 33 ARG HD3 . 19532 1 497 . 1 1 33 33 ARG HE H 1 7.347 0.0100 . 1 . . . A 33 ARG HE . 19532 1 498 . 1 1 33 33 ARG HH21 H 1 6.790 0.0100 . 1 . . . A 33 ARG HH21 . 19532 1 499 . 1 1 33 33 ARG HH22 H 1 6.790 0.0100 . 1 . . . A 33 ARG HH22 . 19532 1 500 . 1 1 33 33 ARG C C 13 176.313 0.1000 . 1 . . . A 33 ARG C . 19532 1 501 . 1 1 33 33 ARG CA C 13 56.264 0.1000 . 1 . . . A 33 ARG CA . 19532 1 502 . 1 1 33 33 ARG CB C 13 29.740 0.1000 . 1 . . . A 33 ARG CB . 19532 1 503 . 1 1 33 33 ARG CG C 13 26.728 0.1000 . 1 . . . A 33 ARG CG . 19532 1 504 . 1 1 33 33 ARG CD C 13 42.768 0.1000 . 1 . . . A 33 ARG CD . 19532 1 505 . 1 1 33 33 ARG N N 15 119.980 0.1000 . 1 . . . A 33 ARG N . 19532 1 506 . 1 1 33 33 ARG NE N 15 85.060 0.1000 . 1 . . . A 33 ARG NE . 19532 1 507 . 1 1 33 33 ARG NH2 N 15 72.343 0.1000 . 1 . . . A 33 ARG NH2 . 19532 1 508 . 1 1 34 34 ALA H H 1 8.105 0.0100 . 1 . . . A 34 ALA H . 19532 1 509 . 1 1 34 34 ALA HA H 1 4.277 0.0100 . 1 . . . A 34 ALA HA . 19532 1 510 . 1 1 34 34 ALA HB1 H 1 1.428 0.0100 . 1 . . . A 34 ALA HB1 . 19532 1 511 . 1 1 34 34 ALA HB2 H 1 1.428 0.0100 . 1 . . . A 34 ALA HB2 . 19532 1 512 . 1 1 34 34 ALA HB3 H 1 1.428 0.0100 . 1 . . . A 34 ALA HB3 . 19532 1 513 . 1 1 34 34 ALA C C 13 177.085 0.1000 . 1 . . . A 34 ALA C . 19532 1 514 . 1 1 34 34 ALA CA C 13 52.523 0.1000 . 1 . . . A 34 ALA CA . 19532 1 515 . 1 1 34 34 ALA CB C 13 18.317 0.1000 . 1 . . . A 34 ALA CB . 19532 1 516 . 1 1 34 34 ALA N N 15 123.682 0.1000 . 1 . . . A 34 ALA N . 19532 1 517 . 1 1 35 35 ASN H H 1 8.134 0.0100 . 1 . . . A 35 ASN H . 19532 1 518 . 1 1 35 35 ASN HA H 1 4.722 0.0100 . 1 . . . A 35 ASN HA . 19532 1 519 . 1 1 35 35 ASN HB2 H 1 2.859 0.0100 . 2 . . . A 35 ASN HB2 . 19532 1 520 . 1 1 35 35 ASN HB3 H 1 2.758 0.0100 . 2 . . . A 35 ASN HB3 . 19532 1 521 . 1 1 35 35 ASN HD21 H 1 7.531 0.0100 . 2 . . . A 35 ASN HD21 . 19532 1 522 . 1 1 35 35 ASN HD22 H 1 6.814 0.0100 . 2 . . . A 35 ASN HD22 . 19532 1 523 . 1 1 35 35 ASN C C 13 174.979 0.1000 . 1 . . . A 35 ASN C . 19532 1 524 . 1 1 35 35 ASN CA C 13 52.886 0.1000 . 1 . . . A 35 ASN CA . 19532 1 525 . 1 1 35 35 ASN CB C 13 38.625 0.1000 . 1 . . . A 35 ASN CB . 19532 1 526 . 1 1 35 35 ASN CG C 13 176.485 0.1000 . 1 . . . A 35 ASN CG . 19532 1 527 . 1 1 35 35 ASN N N 15 116.786 0.1000 . 1 . . . A 35 ASN N . 19532 1 528 . 1 1 35 35 ASN ND2 N 15 112.279 0.1000 . 1 . . . A 35 ASN ND2 . 19532 1 529 . 1 1 36 36 GLY H H 1 8.113 0.0100 . 1 . . . A 36 GLY H . 19532 1 530 . 1 1 36 36 GLY HA2 H 1 3.943 0.0100 . 2 . . . A 36 GLY HA2 . 19532 1 531 . 1 1 36 36 GLY HA3 H 1 4.025 0.0100 . 2 . . . A 36 GLY HA3 . 19532 1 532 . 1 1 36 36 GLY C C 13 173.341 0.1000 . 1 . . . A 36 GLY C . 19532 1 533 . 1 1 36 36 GLY CA C 13 44.888 0.1000 . 1 . . . A 36 GLY CA . 19532 1 534 . 1 1 36 36 GLY N N 15 108.843 0.1000 . 1 . . . A 36 GLY N . 19532 1 535 . 1 1 37 37 GLY H H 1 7.907 0.0100 . 1 . . . A 37 GLY H . 19532 1 536 . 1 1 37 37 GLY HA2 H 1 3.810 0.0100 . 1 . . . A 37 GLY HA2 . 19532 1 537 . 1 1 37 37 GLY HA3 H 1 3.810 0.0100 . 1 . . . A 37 GLY HA3 . 19532 1 538 . 1 1 37 37 GLY CA C 13 44.978 0.1000 . 1 . . . A 37 GLY CA . 19532 1 539 . 1 1 37 37 GLY N N 15 114.076 0.1000 . 1 . . . A 37 GLY N . 19532 1 stop_ save_