data_34154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34154 _Entry.Title ; NMR spatial structure of HER2 TM domain dimer in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-26 _Entry.Accession_date 2017-06-26 _Entry.Last_release_date 2017-11-13 _Entry.Original_release_date 2017-11-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 K. Mineev K. S. . . 34154 2 A. Arseniev A. S. . . 34154 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34154 'PROTEIN ERBB2 HER2 RECEPTOR TYROSINE KINASE MEMBRANE DOMAIN DIMER' . 34154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 202 34154 '15N chemical shifts' 47 34154 '1H chemical shifts' 339 34154 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-02-22 2017-06-26 update BMRB 'update entry citation' 34154 1 . . 2017-11-17 2017-06-26 original author 'original release' 34154 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5OB4 'BMRB Entry Tracking System' 34154 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34154 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-017-0146-1 _Citation.PubMed_ID 29063258 _Citation.Full_citation . _Citation.Title ; NMR relaxation parameters of methyl groups as a tool to map the interfaces of helix-helix interactions in membrane proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 69 _Citation.Journal_issue 3 _Citation.Journal_ASTM JBNME9 _Citation.Journal_ISSN 1573-5001 _Citation.Journal_CSD 0800 _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 165 _Citation.Page_last 179 _Citation.Year 2017 _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 D. Lesovoy D. M. . . 34154 1 2 K. Mineev K. S. . . 34154 1 3 P. Bragin P. E. . . 34154 1 4 O. Bocharova O. V. . . 34154 1 5 E. Bocharov E. V. . . 34154 1 6 A. Arseniev A. S. . . 34154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34154 _Assembly.ID 1 _Assembly.Name 'Receptor tyrosine-protein kinase erbB-2 (E.C.2.7.10.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34154 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GCPAEQRASPLTSIISAVVG ILLVVVLGVVFGILIKRRQQ KIRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 31-74' _Entity.Mutation . _Entity.EC_number 2.7.10.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4734.805 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MLN 19' na 34154 1 'Metastatic lymph node gene 19 protein' na 34154 1 'Proto-oncogene Neu' na 34154 1 'Proto-oncogene c-ErbB-2' na 34154 1 'Tyrosine kinase-type cell surface receptor HER2' na 34154 1 p185erbB2 na 34154 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34154 1 2 . CYS . 34154 1 3 . PRO . 34154 1 4 . ALA . 34154 1 5 . GLU . 34154 1 6 . GLN . 34154 1 7 . ARG . 34154 1 8 . ALA . 34154 1 9 . SER . 34154 1 10 . PRO . 34154 1 11 . LEU . 34154 1 12 . THR . 34154 1 13 . SER . 34154 1 14 . ILE . 34154 1 15 . ILE . 34154 1 16 . SER . 34154 1 17 . ALA . 34154 1 18 . VAL . 34154 1 19 . VAL . 34154 1 20 . GLY . 34154 1 21 . ILE . 34154 1 22 . LEU . 34154 1 23 . LEU . 34154 1 24 . VAL . 34154 1 25 . VAL . 34154 1 26 . VAL . 34154 1 27 . LEU . 34154 1 28 . GLY . 34154 1 29 . VAL . 34154 1 30 . VAL . 34154 1 31 . PHE . 34154 1 32 . GLY . 34154 1 33 . ILE . 34154 1 34 . LEU . 34154 1 35 . ILE . 34154 1 36 . LYS . 34154 1 37 . ARG . 34154 1 38 . ARG . 34154 1 39 . GLN . 34154 1 40 . GLN . 34154 1 41 . LYS . 34154 1 42 . ILE . 34154 1 43 . ARG . 34154 1 44 . LYS . 34154 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 . GLY 1 1 34154 1 . CYS 2 2 34154 1 . PRO 3 3 34154 1 . ALA 4 4 34154 1 . GLU 5 5 34154 1 . GLN 6 6 34154 1 . ARG 7 7 34154 1 . ALA 8 8 34154 1 . SER 9 9 34154 1 . PRO 10 10 34154 1 . LEU 11 11 34154 1 . THR 12 12 34154 1 . SER 13 13 34154 1 . ILE 14 14 34154 1 . ILE 15 15 34154 1 . SER 16 16 34154 1 . ALA 17 17 34154 1 . VAL 18 18 34154 1 . VAL 19 19 34154 1 . GLY 20 20 34154 1 . ILE 21 21 34154 1 . LEU 22 22 34154 1 . LEU 23 23 34154 1 . VAL 24 24 34154 1 . VAL 25 25 34154 1 . VAL 26 26 34154 1 . LEU 27 27 34154 1 . GLY 28 28 34154 1 . VAL 29 29 34154 1 . VAL 30 30 34154 1 . PHE 31 31 34154 1 . GLY 32 32 34154 1 . ILE 33 33 34154 1 . LEU 34 34 34154 1 . ILE 35 35 34154 1 . LYS 36 36 34154 1 . ARG 37 37 34154 1 . ARG 38 38 34154 1 . GLN 39 39 34154 1 . GLN 40 40 34154 1 . LYS 41 41 34154 1 . ILE 42 42 34154 1 . ARG 43 43 34154 1 . LYS 44 44 34154 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 34154 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ERBB2, HER2, MLN19, NEU, NGL' . 34154 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 34154 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34154 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 2.5 mM [U-100% 13C; U-100% 15N] HER2TM, 2.5 mM HER2TM, 200 mM [U-99% 2H] DPC, 20 mM potassium phosphate, 0.01 % sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DPC '[U-99% 2H]' . . . . . . 200 . . mM . . . . 34154 1 2 HER2TM 'natural abundance' . . 1 $entity_1 . . 2.5 . . mM . . . . 34154 1 3 HER2TM_label '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.5 . . mM . . . . 34154 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34154 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34154 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 34154 _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' 30 . mM 34154 1 pH 6.0 0.1 pH 34154 1 pressure 1 . Pa 34154 1 temperature 313 . K 34154 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34154 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34154 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34154 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34154 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34154 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34154 3 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34154 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34154 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model av600 _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 34154 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker av600 . 600 . . . 34154 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 34154 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34154 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34154 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34154 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34154 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34154 1 6 '3D 13C-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34154 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34154 _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 0.000 internal indirect 0.25144953 . . . . . 34154 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34154 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34154 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34154 1 2 '3D HNCO' . . . 34154 1 3 '3D HCCH-TOCSY' . . . 34154 1 4 '3D 1H-13C NOESY aliphatic' . . . 34154 1 5 '3D 1H-15N NOESY' . . . 34154 1 6 '3D 13C-filtered NOESY' . . . 34154 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.907 0.020 . 2 . . . . A 1 GLY HA2 . 34154 1 2 . 1 1 1 1 GLY HA3 H 1 3.907 0.020 . 2 . . . . A 1 GLY HA3 . 34154 1 3 . 1 1 1 1 GLY C C 13 169.386 0.400 . 1 . . . . A 1 GLY C . 34154 1 4 . 1 1 1 1 GLY CA C 13 43.020 0.400 . 1 . . . . A 1 GLY CA . 34154 1 5 . 1 1 2 2 CYS H H 1 8.656 0.020 . 1 . . . . A 2 CYS H . 34154 1 6 . 1 1 2 2 CYS HA H 1 4.796 0.020 . 1 . . . . A 2 CYS HA . 34154 1 7 . 1 1 2 2 CYS HB2 H 1 2.990 0.020 . 2 . . . . A 2 CYS HB2 . 34154 1 8 . 1 1 2 2 CYS HB3 H 1 2.943 0.020 . 2 . . . . A 2 CYS HB3 . 34154 1 9 . 1 1 2 2 CYS C C 13 172.511 0.400 . 1 . . . . A 2 CYS C . 34154 1 10 . 1 1 2 2 CYS CA C 13 56.099 0.400 . 1 . . . . A 2 CYS CA . 34154 1 11 . 1 1 2 2 CYS CB C 13 27.296 0.400 . 1 . . . . A 2 CYS CB . 34154 1 12 . 1 1 2 2 CYS N N 15 120.294 0.400 . 1 . . . . A 2 CYS N . 34154 1 13 . 1 1 3 3 PRO HA H 1 4.453 0.020 . 1 . . . . A 3 PRO HA . 34154 1 14 . 1 1 3 3 PRO HD2 H 1 3.875 0.020 . 2 . . . . A 3 PRO HD2 . 34154 1 15 . 1 1 3 3 PRO HD3 H 1 3.797 0.020 . 2 . . . . A 3 PRO HD3 . 34154 1 16 . 1 1 3 3 PRO C C 13 176.291 0.400 . 1 . . . . A 3 PRO C . 34154 1 17 . 1 1 3 3 PRO CA C 13 63.382 0.400 . 1 . . . . A 3 PRO CA . 34154 1 18 . 1 1 3 3 PRO CD C 13 50.618 0.400 . 1 . . . . A 3 PRO CD . 34154 1 19 . 1 1 3 3 PRO N N 15 138.718 0.400 . 1 . . . . A 3 PRO N . 34154 1 20 . 1 1 4 4 ALA H H 1 8.310 0.020 . 1 . . . . A 4 ALA H . 34154 1 21 . 1 1 4 4 ALA HA H 1 4.313 0.020 . 1 . . . . A 4 ALA HA . 34154 1 22 . 1 1 4 4 ALA HB1 H 1 1.422 0.020 . 1 . . . . A 4 ALA HB1 . 34154 1 23 . 1 1 4 4 ALA HB2 H 1 1.422 0.020 . 1 . . . . A 4 ALA HB2 . 34154 1 24 . 1 1 4 4 ALA HB3 H 1 1.422 0.020 . 1 . . . . A 4 ALA HB3 . 34154 1 25 . 1 1 4 4 ALA C C 13 177.529 0.400 . 1 . . . . A 4 ALA C . 34154 1 26 . 1 1 4 4 ALA CA C 13 52.540 0.400 . 1 . . . . A 4 ALA CA . 34154 1 27 . 1 1 4 4 ALA CB C 13 18.879 0.400 . 1 . . . . A 4 ALA CB . 34154 1 28 . 1 1 4 4 ALA N N 15 123.454 0.400 . 1 . . . . A 4 ALA N . 34154 1 29 . 1 1 5 5 GLU H H 1 8.213 0.020 . 1 . . . . A 5 GLU H . 34154 1 30 . 1 1 5 5 GLU HA H 1 4.320 0.020 . 1 . . . . A 5 GLU HA . 34154 1 31 . 1 1 5 5 GLU HB2 H 1 2.125 0.020 . 2 . . . . A 5 GLU HB2 . 34154 1 32 . 1 1 5 5 GLU HB3 H 1 2.018 0.020 . 2 . . . . A 5 GLU HB3 . 34154 1 33 . 1 1 5 5 GLU HG2 H 1 2.443 0.020 . 2 . . . . A 5 GLU HG2 . 34154 1 34 . 1 1 5 5 GLU HG3 H 1 2.443 0.020 . 2 . . . . A 5 GLU HG3 . 34154 1 35 . 1 1 5 5 GLU C C 13 175.768 0.400 . 1 . . . . A 5 GLU C . 34154 1 36 . 1 1 5 5 GLU CA C 13 55.894 0.400 . 1 . . . . A 5 GLU CA . 34154 1 37 . 1 1 5 5 GLU CB C 13 29.008 0.400 . 1 . . . . A 5 GLU CB . 34154 1 38 . 1 1 5 5 GLU CG C 13 33.293 0.400 . 1 . . . . A 5 GLU CG . 34154 1 39 . 1 1 5 5 GLU N N 15 118.654 0.400 . 1 . . . . A 5 GLU N . 34154 1 40 . 1 1 6 6 GLN H H 1 8.253 0.020 . 1 . . . . A 6 GLN H . 34154 1 41 . 1 1 6 6 GLN HA H 1 4.363 0.020 . 1 . . . . A 6 GLN HA . 34154 1 42 . 1 1 6 6 GLN HB2 H 1 2.008 0.020 . 2 . . . . A 6 GLN HB2 . 34154 1 43 . 1 1 6 6 GLN HB3 H 1 2.125 0.020 . 2 . . . . A 6 GLN HB3 . 34154 1 44 . 1 1 6 6 GLN HG2 H 1 2.390 0.020 . 2 . . . . A 6 GLN HG2 . 34154 1 45 . 1 1 6 6 GLN HG3 H 1 2.390 0.020 . 2 . . . . A 6 GLN HG3 . 34154 1 46 . 1 1 6 6 GLN C C 13 175.433 0.400 . 1 . . . . A 6 GLN C . 34154 1 47 . 1 1 6 6 GLN CA C 13 55.584 0.400 . 1 . . . . A 6 GLN CA . 34154 1 48 . 1 1 6 6 GLN CB C 13 29.236 0.400 . 1 . . . . A 6 GLN CB . 34154 1 49 . 1 1 6 6 GLN CG C 13 33.608 0.400 . 1 . . . . A 6 GLN CG . 34154 1 50 . 1 1 6 6 GLN N N 15 121.120 0.400 . 1 . . . . A 6 GLN N . 34154 1 51 . 1 1 7 7 ARG H H 1 8.260 0.020 . 1 . . . . A 7 ARG H . 34154 1 52 . 1 1 7 7 ARG HA H 1 4.410 0.020 . 1 . . . . A 7 ARG HA . 34154 1 53 . 1 1 7 7 ARG HB2 H 1 1.900 0.020 . 2 . . . . A 7 ARG HB2 . 34154 1 54 . 1 1 7 7 ARG HB3 H 1 1.900 0.020 . 2 . . . . A 7 ARG HB3 . 34154 1 55 . 1 1 7 7 ARG HG3 H 1 1.664 0.020 . 2 . . . . A 7 ARG HG3 . 34154 1 56 . 1 1 7 7 ARG HD2 H 1 3.239 0.020 . 2 . . . . A 7 ARG HD2 . 34154 1 57 . 1 1 7 7 ARG HD3 H 1 3.239 0.020 . 2 . . . . A 7 ARG HD3 . 34154 1 58 . 1 1 7 7 ARG HE H 1 7.339 0.020 . 1 . . . . A 7 ARG HE . 34154 1 59 . 1 1 7 7 ARG C C 13 175.351 0.400 . 1 . . . . A 7 ARG C . 34154 1 60 . 1 1 7 7 ARG CA C 13 55.662 0.400 . 1 . . . . A 7 ARG CA . 34154 1 61 . 1 1 7 7 ARG CB C 13 30.630 0.400 . 1 . . . . A 7 ARG CB . 34154 1 62 . 1 1 7 7 ARG CG C 13 26.815 0.400 . 1 . . . . A 7 ARG CG . 34154 1 63 . 1 1 7 7 ARG CD C 13 43.103 0.400 . 1 . . . . A 7 ARG CD . 34154 1 64 . 1 1 7 7 ARG N N 15 122.058 0.400 . 1 . . . . A 7 ARG N . 34154 1 65 . 1 1 7 7 ARG NE N 15 85.019 0.400 . 1 . . . . A 7 ARG NE . 34154 1 66 . 1 1 8 8 ALA H H 1 8.311 0.020 . 1 . . . . A 8 ALA H . 34154 1 67 . 1 1 8 8 ALA HA H 1 4.377 0.020 . 1 . . . . A 8 ALA HA . 34154 1 68 . 1 1 8 8 ALA HB1 H 1 1.417 0.020 . 1 . . . . A 8 ALA HB1 . 34154 1 69 . 1 1 8 8 ALA HB2 H 1 1.417 0.020 . 1 . . . . A 8 ALA HB2 . 34154 1 70 . 1 1 8 8 ALA HB3 H 1 1.417 0.020 . 1 . . . . A 8 ALA HB3 . 34154 1 71 . 1 1 8 8 ALA C C 13 176.989 0.400 . 1 . . . . A 8 ALA C . 34154 1 72 . 1 1 8 8 ALA CA C 13 51.834 0.400 . 1 . . . . A 8 ALA CA . 34154 1 73 . 1 1 8 8 ALA CB C 13 19.344 0.400 . 1 . . . . A 8 ALA CB . 34154 1 74 . 1 1 8 8 ALA N N 15 124.814 0.400 . 1 . . . . A 8 ALA N . 34154 1 75 . 1 1 9 9 SER H H 1 8.427 0.020 . 1 . . . . A 9 SER H . 34154 1 76 . 1 1 9 9 SER HA H 1 4.812 0.020 . 1 . . . . A 9 SER HA . 34154 1 77 . 1 1 9 9 SER HB2 H 1 4.035 0.020 . 2 . . . . A 9 SER HB2 . 34154 1 78 . 1 1 9 9 SER HB3 H 1 3.903 0.020 . 2 . . . . A 9 SER HB3 . 34154 1 79 . 1 1 9 9 SER C C 13 173.663 0.400 . 1 . . . . A 9 SER C . 34154 1 80 . 1 1 9 9 SER CA C 13 56.065 0.400 . 1 . . . . A 9 SER CA . 34154 1 81 . 1 1 9 9 SER CB C 13 63.495 0.400 . 1 . . . . A 9 SER CB . 34154 1 82 . 1 1 9 9 SER N N 15 116.182 0.400 . 1 . . . . A 9 SER N . 34154 1 83 . 1 1 10 10 PRO HA H 1 4.581 0.020 . 1 . . . . A 10 PRO HA . 34154 1 84 . 1 1 10 10 PRO HB2 H 1 1.999 0.020 . 2 . . . . A 10 PRO HB2 . 34154 1 85 . 1 1 10 10 PRO HB3 H 1 2.390 0.020 . 2 . . . . A 10 PRO HB3 . 34154 1 86 . 1 1 10 10 PRO HG2 H 1 2.067 0.020 . 2 . . . . A 10 PRO HG2 . 34154 1 87 . 1 1 10 10 PRO HG3 H 1 2.067 0.020 . 2 . . . . A 10 PRO HG3 . 34154 1 88 . 1 1 10 10 PRO HD2 H 1 3.916 0.020 . 2 . . . . A 10 PRO HD2 . 34154 1 89 . 1 1 10 10 PRO HD3 H 1 3.916 0.020 . 2 . . . . A 10 PRO HD3 . 34154 1 90 . 1 1 10 10 PRO C C 13 177.029 0.400 . 1 . . . . A 10 PRO C . 34154 1 91 . 1 1 10 10 PRO CA C 13 63.915 0.400 . 1 . . . . A 10 PRO CA . 34154 1 92 . 1 1 10 10 PRO CB C 13 31.770 0.400 . 1 . . . . A 10 PRO CB . 34154 1 93 . 1 1 10 10 PRO CG C 13 27.093 0.400 . 1 . . . . A 10 PRO CG . 34154 1 94 . 1 1 10 10 PRO CD C 13 50.482 0.400 . 1 . . . . A 10 PRO CD . 34154 1 95 . 1 1 10 10 PRO N N 15 137.920 0.400 . 1 . . . . A 10 PRO N . 34154 1 96 . 1 1 11 11 LEU H H 1 8.321 0.020 . 1 . . . . A 11 LEU H . 34154 1 97 . 1 1 11 11 LEU HA H 1 4.223 0.020 . 1 . . . . A 11 LEU HA . 34154 1 98 . 1 1 11 11 LEU HB2 H 1 1.778 0.020 . 2 . . . . A 11 LEU HB2 . 34154 1 99 . 1 1 11 11 LEU HB3 H 1 1.695 0.020 . 2 . . . . A 11 LEU HB3 . 34154 1 100 . 1 1 11 11 LEU HG H 1 1.709 0.020 . 1 . . . . A 11 LEU HG . 34154 1 101 . 1 1 11 11 LEU HD11 H 1 0.946 0.020 . 2 . . . . A 11 LEU HD11 . 34154 1 102 . 1 1 11 11 LEU HD12 H 1 0.946 0.020 . 2 . . . . A 11 LEU HD12 . 34154 1 103 . 1 1 11 11 LEU HD13 H 1 0.946 0.020 . 2 . . . . A 11 LEU HD13 . 34154 1 104 . 1 1 11 11 LEU HD21 H 1 0.999 0.020 . 2 . . . . A 11 LEU HD21 . 34154 1 105 . 1 1 11 11 LEU HD22 H 1 0.999 0.020 . 2 . . . . A 11 LEU HD22 . 34154 1 106 . 1 1 11 11 LEU HD23 H 1 0.999 0.020 . 2 . . . . A 11 LEU HD23 . 34154 1 107 . 1 1 11 11 LEU C C 13 177.489 0.400 . 1 . . . . A 11 LEU C . 34154 1 108 . 1 1 11 11 LEU CA C 13 56.864 0.400 . 1 . . . . A 11 LEU CA . 34154 1 109 . 1 1 11 11 LEU CB C 13 41.604 0.400 . 1 . . . . A 11 LEU CB . 34154 1 110 . 1 1 11 11 LEU CG C 13 27.042 0.400 . 1 . . . . A 11 LEU CG . 34154 1 111 . 1 1 11 11 LEU CD1 C 13 24.087 0.400 . 2 . . . . A 11 LEU CD1 . 34154 1 112 . 1 1 11 11 LEU CD2 C 13 24.473 0.400 . 2 . . . . A 11 LEU CD2 . 34154 1 113 . 1 1 11 11 LEU N N 15 118.891 0.400 . 1 . . . . A 11 LEU N . 34154 1 114 . 1 1 12 12 THR H H 1 7.963 0.020 . 1 . . . . A 12 THR H . 34154 1 115 . 1 1 12 12 THR HA H 1 3.990 0.020 . 1 . . . . A 12 THR HA . 34154 1 116 . 1 1 12 12 THR HB H 1 4.338 0.020 . 1 . . . . A 12 THR HB . 34154 1 117 . 1 1 12 12 THR HG21 H 1 1.288 0.020 . 1 . . . . A 12 THR HG21 . 34154 1 118 . 1 1 12 12 THR HG22 H 1 1.288 0.020 . 1 . . . . A 12 THR HG22 . 34154 1 119 . 1 1 12 12 THR HG23 H 1 1.288 0.020 . 1 . . . . A 12 THR HG23 . 34154 1 120 . 1 1 12 12 THR C C 13 176.224 0.400 . 1 . . . . A 12 THR C . 34154 1 121 . 1 1 12 12 THR CA C 13 65.246 0.400 . 1 . . . . A 12 THR CA . 34154 1 122 . 1 1 12 12 THR CB C 13 68.242 0.400 . 1 . . . . A 12 THR CB . 34154 1 123 . 1 1 12 12 THR CG2 C 13 22.087 0.400 . 1 . . . . A 12 THR CG2 . 34154 1 124 . 1 1 12 12 THR N N 15 112.158 0.400 . 1 . . . . A 12 THR N . 34154 1 125 . 1 1 13 13 SER H H 1 8.051 0.020 . 1 . . . . A 13 SER H . 34154 1 126 . 1 1 13 13 SER HA H 1 4.376 0.020 . 1 . . . . A 13 SER HA . 34154 1 127 . 1 1 13 13 SER HB2 H 1 4.063 0.020 . 2 . . . . A 13 SER HB2 . 34154 1 128 . 1 1 13 13 SER HB3 H 1 3.926 0.020 . 2 . . . . A 13 SER HB3 . 34154 1 129 . 1 1 13 13 SER C C 13 174.809 0.400 . 1 . . . . A 13 SER C . 34154 1 130 . 1 1 13 13 SER CA C 13 60.977 0.400 . 1 . . . . A 13 SER CA . 34154 1 131 . 1 1 13 13 SER CB C 13 62.974 0.400 . 1 . . . . A 13 SER CB . 34154 1 132 . 1 1 13 13 SER N N 15 118.428 0.400 . 1 . . . . A 13 SER N . 34154 1 133 . 1 1 14 14 ILE H H 1 8.083 0.020 . 1 . . . . A 14 ILE H . 34154 1 134 . 1 1 14 14 ILE HA H 1 3.886 0.020 . 1 . . . . A 14 ILE HA . 34154 1 135 . 1 1 14 14 ILE HB H 1 2.017 0.020 . 1 . . . . A 14 ILE HB . 34154 1 136 . 1 1 14 14 ILE HG12 H 1 1.129 0.020 . 1 . . . . A 14 ILE HG12 . 34154 1 137 . 1 1 14 14 ILE HG13 H 1 1.780 0.020 . 1 . . . . A 14 ILE HG13 . 34154 1 138 . 1 1 14 14 ILE HG21 H 1 0.961 0.020 . 1 . . . . A 14 ILE HG21 . 34154 1 139 . 1 1 14 14 ILE HG22 H 1 0.961 0.020 . 1 . . . . A 14 ILE HG22 . 34154 1 140 . 1 1 14 14 ILE HG23 H 1 0.961 0.020 . 1 . . . . A 14 ILE HG23 . 34154 1 141 . 1 1 14 14 ILE HD11 H 1 0.919 0.020 . 1 . . . . A 14 ILE HD11 . 34154 1 142 . 1 1 14 14 ILE HD12 H 1 0.919 0.020 . 1 . . . . A 14 ILE HD12 . 34154 1 143 . 1 1 14 14 ILE HD13 H 1 0.919 0.020 . 1 . . . . A 14 ILE HD13 . 34154 1 144 . 1 1 14 14 ILE C C 13 176.659 0.400 . 1 . . . . A 14 ILE C . 34154 1 145 . 1 1 14 14 ILE CA C 13 64.191 0.400 . 1 . . . . A 14 ILE CA . 34154 1 146 . 1 1 14 14 ILE CB C 13 37.897 0.400 . 1 . . . . A 14 ILE CB . 34154 1 147 . 1 1 14 14 ILE CG1 C 13 28.907 0.400 . 1 . . . . A 14 ILE CG1 . 34154 1 148 . 1 1 14 14 ILE CG2 C 13 17.374 0.400 . 1 . . . . A 14 ILE CG2 . 34154 1 149 . 1 1 14 14 ILE CD1 C 13 13.244 0.400 . 1 . . . . A 14 ILE CD1 . 34154 1 150 . 1 1 14 14 ILE N N 15 121.325 0.400 . 1 . . . . A 14 ILE N . 34154 1 151 . 1 1 15 15 ILE H H 1 8.270 0.020 . 1 . . . . A 15 ILE H . 34154 1 152 . 1 1 15 15 ILE HA H 1 3.650 0.020 . 1 . . . . A 15 ILE HA . 34154 1 153 . 1 1 15 15 ILE HB H 1 1.948 0.020 . 1 . . . . A 15 ILE HB . 34154 1 154 . 1 1 15 15 ILE HG12 H 1 1.173 0.020 . 1 . . . . A 15 ILE HG12 . 34154 1 155 . 1 1 15 15 ILE HG13 H 1 1.802 0.020 . 1 . . . . A 15 ILE HG13 . 34154 1 156 . 1 1 15 15 ILE HG21 H 1 0.946 0.020 . 1 . . . . A 15 ILE HG21 . 34154 1 157 . 1 1 15 15 ILE HG22 H 1 0.946 0.020 . 1 . . . . A 15 ILE HG22 . 34154 1 158 . 1 1 15 15 ILE HG23 H 1 0.946 0.020 . 1 . . . . A 15 ILE HG23 . 34154 1 159 . 1 1 15 15 ILE HD11 H 1 0.900 0.020 . 1 . . . . A 15 ILE HD11 . 34154 1 160 . 1 1 15 15 ILE HD12 H 1 0.900 0.020 . 1 . . . . A 15 ILE HD12 . 34154 1 161 . 1 1 15 15 ILE HD13 H 1 0.900 0.020 . 1 . . . . A 15 ILE HD13 . 34154 1 162 . 1 1 15 15 ILE C C 13 176.809 0.400 . 1 . . . . A 15 ILE C . 34154 1 163 . 1 1 15 15 ILE CA C 13 64.862 0.400 . 1 . . . . A 15 ILE CA . 34154 1 164 . 1 1 15 15 ILE CB C 13 37.184 0.400 . 1 . . . . A 15 ILE CB . 34154 1 165 . 1 1 15 15 ILE CG1 C 13 29.115 0.400 . 1 . . . . A 15 ILE CG1 . 34154 1 166 . 1 1 15 15 ILE CG2 C 13 17.509 0.400 . 1 . . . . A 15 ILE CG2 . 34154 1 167 . 1 1 15 15 ILE CD1 C 13 12.854 0.400 . 1 . . . . A 15 ILE CD1 . 34154 1 168 . 1 1 15 15 ILE N N 15 118.591 0.400 . 1 . . . . A 15 ILE N . 34154 1 169 . 1 1 16 16 SER H H 1 7.972 0.020 . 1 . . . . A 16 SER H . 34154 1 170 . 1 1 16 16 SER HA H 1 4.068 0.020 . 1 . . . . A 16 SER HA . 34154 1 171 . 1 1 16 16 SER HB2 H 1 4.080 0.020 . 2 . . . . A 16 SER HB2 . 34154 1 172 . 1 1 16 16 SER HB3 H 1 3.789 0.020 . 2 . . . . A 16 SER HB3 . 34154 1 173 . 1 1 16 16 SER C C 13 174.606 0.400 . 1 . . . . A 16 SER C . 34154 1 174 . 1 1 16 16 SER CA C 13 62.540 0.400 . 1 . . . . A 16 SER CA . 34154 1 175 . 1 1 16 16 SER CB C 13 62.790 0.400 . 1 . . . . A 16 SER CB . 34154 1 176 . 1 1 16 16 SER N N 15 114.636 0.400 . 1 . . . . A 16 SER N . 34154 1 177 . 1 1 17 17 ALA H H 1 7.764 0.020 . 1 . . . . A 17 ALA H . 34154 1 178 . 1 1 17 17 ALA HA H 1 4.071 0.020 . 1 . . . . A 17 ALA HA . 34154 1 179 . 1 1 17 17 ALA HB1 H 1 1.516 0.020 . 1 . . . . A 17 ALA HB1 . 34154 1 180 . 1 1 17 17 ALA HB2 H 1 1.516 0.020 . 1 . . . . A 17 ALA HB2 . 34154 1 181 . 1 1 17 17 ALA HB3 H 1 1.516 0.020 . 1 . . . . A 17 ALA HB3 . 34154 1 182 . 1 1 17 17 ALA C C 13 178.053 0.400 . 1 . . . . A 17 ALA C . 34154 1 183 . 1 1 17 17 ALA CA C 13 55.018 0.400 . 1 . . . . A 17 ALA CA . 34154 1 184 . 1 1 17 17 ALA CB C 13 18.131 0.400 . 1 . . . . A 17 ALA CB . 34154 1 185 . 1 1 17 17 ALA N N 15 122.209 0.400 . 1 . . . . A 17 ALA N . 34154 1 186 . 1 1 18 18 VAL H H 1 8.140 0.020 . 1 . . . . A 18 VAL H . 34154 1 187 . 1 1 18 18 VAL HA H 1 3.544 0.020 . 1 . . . . A 18 VAL HA . 34154 1 188 . 1 1 18 18 VAL HB H 1 2.254 0.020 . 1 . . . . A 18 VAL HB . 34154 1 189 . 1 1 18 18 VAL HG11 H 1 0.920 0.020 . 2 . . . . A 18 VAL HG11 . 34154 1 190 . 1 1 18 18 VAL HG12 H 1 0.920 0.020 . 2 . . . . A 18 VAL HG12 . 34154 1 191 . 1 1 18 18 VAL HG13 H 1 0.920 0.020 . 2 . . . . A 18 VAL HG13 . 34154 1 192 . 1 1 18 18 VAL HG21 H 1 1.083 0.020 . 2 . . . . A 18 VAL HG21 . 34154 1 193 . 1 1 18 18 VAL HG22 H 1 1.083 0.020 . 2 . . . . A 18 VAL HG22 . 34154 1 194 . 1 1 18 18 VAL HG23 H 1 1.083 0.020 . 2 . . . . A 18 VAL HG23 . 34154 1 195 . 1 1 18 18 VAL C C 13 176.885 0.400 . 1 . . . . A 18 VAL C . 34154 1 196 . 1 1 18 18 VAL CA C 13 66.843 0.400 . 1 . . . . A 18 VAL CA . 34154 1 197 . 1 1 18 18 VAL CB C 13 31.228 0.400 . 1 . . . . A 18 VAL CB . 34154 1 198 . 1 1 18 18 VAL CG1 C 13 21.093 0.400 . 2 . . . . A 18 VAL CG1 . 34154 1 199 . 1 1 18 18 VAL CG2 C 13 22.954 0.400 . 2 . . . . A 18 VAL CG2 . 34154 1 200 . 1 1 18 18 VAL N N 15 116.289 0.400 . 1 . . . . A 18 VAL N . 34154 1 201 . 1 1 19 19 VAL H H 1 8.369 0.020 . 1 . . . . A 19 VAL H . 34154 1 202 . 1 1 19 19 VAL HA H 1 3.510 0.020 . 1 . . . . A 19 VAL HA . 34154 1 203 . 1 1 19 19 VAL HB H 1 2.196 0.020 . 1 . . . . A 19 VAL HB . 34154 1 204 . 1 1 19 19 VAL HG11 H 1 0.914 0.020 . 2 . . . . A 19 VAL HG11 . 34154 1 205 . 1 1 19 19 VAL HG12 H 1 0.914 0.020 . 2 . . . . A 19 VAL HG12 . 34154 1 206 . 1 1 19 19 VAL HG13 H 1 0.914 0.020 . 2 . . . . A 19 VAL HG13 . 34154 1 207 . 1 1 19 19 VAL HG21 H 1 1.055 0.020 . 2 . . . . A 19 VAL HG21 . 34154 1 208 . 1 1 19 19 VAL HG22 H 1 1.055 0.020 . 2 . . . . A 19 VAL HG22 . 34154 1 209 . 1 1 19 19 VAL HG23 H 1 1.055 0.020 . 2 . . . . A 19 VAL HG23 . 34154 1 210 . 1 1 19 19 VAL C C 13 176.916 0.400 . 1 . . . . A 19 VAL C . 34154 1 211 . 1 1 19 19 VAL CA C 13 66.974 0.400 . 1 . . . . A 19 VAL CA . 34154 1 212 . 1 1 19 19 VAL CB C 13 30.836 0.400 . 1 . . . . A 19 VAL CB . 34154 1 213 . 1 1 19 19 VAL CG1 C 13 21.320 0.400 . 2 . . . . A 19 VAL CG1 . 34154 1 214 . 1 1 19 19 VAL CG2 C 13 23.260 0.400 . 2 . . . . A 19 VAL CG2 . 34154 1 215 . 1 1 19 19 VAL N N 15 118.058 0.400 . 1 . . . . A 19 VAL N . 34154 1 216 . 1 1 20 20 GLY H H 1 8.345 0.020 . 1 . . . . A 20 GLY H . 34154 1 217 . 1 1 20 20 GLY HA2 H 1 3.652 0.020 . 2 . . . . A 20 GLY HA2 . 34154 1 218 . 1 1 20 20 GLY HA3 H 1 3.600 0.020 . 2 . . . . A 20 GLY HA3 . 34154 1 219 . 1 1 20 20 GLY C C 13 173.812 0.400 . 1 . . . . A 20 GLY C . 34154 1 220 . 1 1 20 20 GLY CA C 13 47.669 0.400 . 1 . . . . A 20 GLY CA . 34154 1 221 . 1 1 20 20 GLY N N 15 105.940 0.400 . 1 . . . . A 20 GLY N . 34154 1 222 . 1 1 21 21 ILE H H 1 8.286 0.020 . 1 . . . . A 21 ILE H . 34154 1 223 . 1 1 21 21 ILE HA H 1 3.677 0.020 . 1 . . . . A 21 ILE HA . 34154 1 224 . 1 1 21 21 ILE HB H 1 1.995 0.020 . 1 . . . . A 21 ILE HB . 34154 1 225 . 1 1 21 21 ILE HG12 H 1 1.054 0.020 . 1 . . . . A 21 ILE HG12 . 34154 1 226 . 1 1 21 21 ILE HG13 H 1 1.891 0.020 . 1 . . . . A 21 ILE HG13 . 34154 1 227 . 1 1 21 21 ILE HG21 H 1 0.852 0.020 . 1 . . . . A 21 ILE HG21 . 34154 1 228 . 1 1 21 21 ILE HG22 H 1 0.852 0.020 . 1 . . . . A 21 ILE HG22 . 34154 1 229 . 1 1 21 21 ILE HG23 H 1 0.852 0.020 . 1 . . . . A 21 ILE HG23 . 34154 1 230 . 1 1 21 21 ILE HD11 H 1 0.808 0.020 . 1 . . . . A 21 ILE HD11 . 34154 1 231 . 1 1 21 21 ILE HD12 H 1 0.808 0.020 . 1 . . . . A 21 ILE HD12 . 34154 1 232 . 1 1 21 21 ILE HD13 H 1 0.808 0.020 . 1 . . . . A 21 ILE HD13 . 34154 1 233 . 1 1 21 21 ILE C C 13 176.883 0.400 . 1 . . . . A 21 ILE C . 34154 1 234 . 1 1 21 21 ILE CA C 13 64.806 0.400 . 1 . . . . A 21 ILE CA . 34154 1 235 . 1 1 21 21 ILE CB C 13 37.259 0.400 . 1 . . . . A 21 ILE CB . 34154 1 236 . 1 1 21 21 ILE CG1 C 13 29.311 0.400 . 1 . . . . A 21 ILE CG1 . 34154 1 237 . 1 1 21 21 ILE CG2 C 13 16.896 0.400 . 1 . . . . A 21 ILE CG2 . 34154 1 238 . 1 1 21 21 ILE CD1 C 13 12.771 0.400 . 1 . . . . A 21 ILE CD1 . 34154 1 239 . 1 1 21 21 ILE N N 15 119.905 0.400 . 1 . . . . A 21 ILE N . 34154 1 240 . 1 1 22 22 LEU H H 1 8.232 0.020 . 1 . . . . A 22 LEU H . 34154 1 241 . 1 1 22 22 LEU HA H 1 3.937 0.020 . 1 . . . . A 22 LEU HA . 34154 1 242 . 1 1 22 22 LEU HB2 H 1 1.901 0.020 . 2 . . . . A 22 LEU HB2 . 34154 1 243 . 1 1 22 22 LEU HB3 H 1 1.562 0.020 . 2 . . . . A 22 LEU HB3 . 34154 1 244 . 1 1 22 22 LEU HG H 1 1.847 0.020 . 1 . . . . A 22 LEU HG . 34154 1 245 . 1 1 22 22 LEU HD11 H 1 0.815 0.020 . 2 . . . . A 22 LEU HD11 . 34154 1 246 . 1 1 22 22 LEU HD12 H 1 0.815 0.020 . 2 . . . . A 22 LEU HD12 . 34154 1 247 . 1 1 22 22 LEU HD13 H 1 0.815 0.020 . 2 . . . . A 22 LEU HD13 . 34154 1 248 . 1 1 22 22 LEU HD21 H 1 0.791 0.020 . 2 . . . . A 22 LEU HD21 . 34154 1 249 . 1 1 22 22 LEU HD22 H 1 0.791 0.020 . 2 . . . . A 22 LEU HD22 . 34154 1 250 . 1 1 22 22 LEU HD23 H 1 0.791 0.020 . 2 . . . . A 22 LEU HD23 . 34154 1 251 . 1 1 22 22 LEU C C 13 177.978 0.400 . 1 . . . . A 22 LEU C . 34154 1 252 . 1 1 22 22 LEU CA C 13 57.998 0.400 . 1 . . . . A 22 LEU CA . 34154 1 253 . 1 1 22 22 LEU CB C 13 41.264 0.400 . 1 . . . . A 22 LEU CB . 34154 1 254 . 1 1 22 22 LEU CG C 13 26.454 0.400 . 1 . . . . A 22 LEU CG . 34154 1 255 . 1 1 22 22 LEU CD1 C 13 24.567 0.400 . 2 . . . . A 22 LEU CD1 . 34154 1 256 . 1 1 22 22 LEU CD2 C 13 23.043 0.400 . 2 . . . . A 22 LEU CD2 . 34154 1 257 . 1 1 22 22 LEU N N 15 118.943 0.400 . 1 . . . . A 22 LEU N . 34154 1 258 . 1 1 23 23 LEU H H 1 8.443 0.020 . 1 . . . . A 23 LEU H . 34154 1 259 . 1 1 23 23 LEU HA H 1 3.937 0.020 . 1 . . . . A 23 LEU HA . 34154 1 260 . 1 1 23 23 LEU HB2 H 1 1.919 0.020 . 2 . . . . A 23 LEU HB2 . 34154 1 261 . 1 1 23 23 LEU HB3 H 1 1.613 0.020 . 2 . . . . A 23 LEU HB3 . 34154 1 262 . 1 1 23 23 LEU HG H 1 1.829 0.020 . 1 . . . . A 23 LEU HG . 34154 1 263 . 1 1 23 23 LEU HD11 H 1 0.840 0.020 . 2 . . . . A 23 LEU HD11 . 34154 1 264 . 1 1 23 23 LEU HD12 H 1 0.840 0.020 . 2 . . . . A 23 LEU HD12 . 34154 1 265 . 1 1 23 23 LEU HD13 H 1 0.840 0.020 . 2 . . . . A 23 LEU HD13 . 34154 1 266 . 1 1 23 23 LEU HD21 H 1 0.803 0.020 . 2 . . . . A 23 LEU HD21 . 34154 1 267 . 1 1 23 23 LEU HD22 H 1 0.803 0.020 . 2 . . . . A 23 LEU HD22 . 34154 1 268 . 1 1 23 23 LEU HD23 H 1 0.803 0.020 . 2 . . . . A 23 LEU HD23 . 34154 1 269 . 1 1 23 23 LEU C C 13 177.925 0.400 . 1 . . . . A 23 LEU C . 34154 1 270 . 1 1 23 23 LEU CA C 13 58.081 0.400 . 1 . . . . A 23 LEU CA . 34154 1 271 . 1 1 23 23 LEU CB C 13 41.408 0.400 . 1 . . . . A 23 LEU CB . 34154 1 272 . 1 1 23 23 LEU CG C 13 26.516 0.400 . 1 . . . . A 23 LEU CG . 34154 1 273 . 1 1 23 23 LEU CD1 C 13 24.527 0.400 . 2 . . . . A 23 LEU CD1 . 34154 1 274 . 1 1 23 23 LEU CD2 C 13 23.340 0.400 . 2 . . . . A 23 LEU CD2 . 34154 1 275 . 1 1 23 23 LEU N N 15 117.660 0.400 . 1 . . . . A 23 LEU N . 34154 1 276 . 1 1 24 24 VAL H H 1 7.928 0.020 . 1 . . . . A 24 VAL H . 34154 1 277 . 1 1 24 24 VAL HA H 1 3.518 0.020 . 1 . . . . A 24 VAL HA . 34154 1 278 . 1 1 24 24 VAL HB H 1 2.314 0.020 . 1 . . . . A 24 VAL HB . 34154 1 279 . 1 1 24 24 VAL HG11 H 1 0.882 0.020 . 2 . . . . A 24 VAL HG11 . 34154 1 280 . 1 1 24 24 VAL HG12 H 1 0.882 0.020 . 2 . . . . A 24 VAL HG12 . 34154 1 281 . 1 1 24 24 VAL HG13 H 1 0.882 0.020 . 2 . . . . A 24 VAL HG13 . 34154 1 282 . 1 1 24 24 VAL HG21 H 1 1.039 0.020 . 2 . . . . A 24 VAL HG21 . 34154 1 283 . 1 1 24 24 VAL HG22 H 1 1.039 0.020 . 2 . . . . A 24 VAL HG22 . 34154 1 284 . 1 1 24 24 VAL HG23 H 1 1.039 0.020 . 2 . . . . A 24 VAL HG23 . 34154 1 285 . 1 1 24 24 VAL C C 13 177.099 0.400 . 1 . . . . A 24 VAL C . 34154 1 286 . 1 1 24 24 VAL CA C 13 67.154 0.400 . 1 . . . . A 24 VAL CA . 34154 1 287 . 1 1 24 24 VAL CB C 13 30.807 0.400 . 1 . . . . A 24 VAL CB . 34154 1 288 . 1 1 24 24 VAL CG1 C 13 21.131 0.400 . 2 . . . . A 24 VAL CG1 . 34154 1 289 . 1 1 24 24 VAL CG2 C 13 22.964 0.400 . 2 . . . . A 24 VAL CG2 . 34154 1 290 . 1 1 24 24 VAL N N 15 118.074 0.400 . 1 . . . . A 24 VAL N . 34154 1 291 . 1 1 25 25 VAL H H 1 8.209 0.020 . 1 . . . . A 25 VAL H . 34154 1 292 . 1 1 25 25 VAL HA H 1 3.558 0.020 . 1 . . . . A 25 VAL HA . 34154 1 293 . 1 1 25 25 VAL HB H 1 2.298 0.020 . 1 . . . . A 25 VAL HB . 34154 1 294 . 1 1 25 25 VAL HG11 H 1 0.860 0.020 . 2 . . . . A 25 VAL HG11 . 34154 1 295 . 1 1 25 25 VAL HG12 H 1 0.860 0.020 . 2 . . . . A 25 VAL HG12 . 34154 1 296 . 1 1 25 25 VAL HG13 H 1 0.860 0.020 . 2 . . . . A 25 VAL HG13 . 34154 1 297 . 1 1 25 25 VAL HG21 H 1 1.017 0.020 . 2 . . . . A 25 VAL HG21 . 34154 1 298 . 1 1 25 25 VAL HG22 H 1 1.017 0.020 . 2 . . . . A 25 VAL HG22 . 34154 1 299 . 1 1 25 25 VAL HG23 H 1 1.017 0.020 . 2 . . . . A 25 VAL HG23 . 34154 1 300 . 1 1 25 25 VAL C C 13 177.089 0.400 . 1 . . . . A 25 VAL C . 34154 1 301 . 1 1 25 25 VAL CA C 13 67.067 0.400 . 1 . . . . A 25 VAL CA . 34154 1 302 . 1 1 25 25 VAL CB C 13 30.818 0.400 . 1 . . . . A 25 VAL CB . 34154 1 303 . 1 1 25 25 VAL CG1 C 13 20.920 0.400 . 2 . . . . A 25 VAL CG1 . 34154 1 304 . 1 1 25 25 VAL CG2 C 13 22.682 0.400 . 2 . . . . A 25 VAL CG2 . 34154 1 305 . 1 1 25 25 VAL N N 15 118.793 0.400 . 1 . . . . A 25 VAL N . 34154 1 306 . 1 1 26 26 VAL H H 1 8.519 0.020 . 1 . . . . A 26 VAL H . 34154 1 307 . 1 1 26 26 VAL HA H 1 3.471 0.020 . 1 . . . . A 26 VAL HA . 34154 1 308 . 1 1 26 26 VAL HB H 1 2.223 0.020 . 1 . . . . A 26 VAL HB . 34154 1 309 . 1 1 26 26 VAL HG11 H 1 0.871 0.020 . 2 . . . . A 26 VAL HG11 . 34154 1 310 . 1 1 26 26 VAL HG12 H 1 0.871 0.020 . 2 . . . . A 26 VAL HG12 . 34154 1 311 . 1 1 26 26 VAL HG13 H 1 0.871 0.020 . 2 . . . . A 26 VAL HG13 . 34154 1 312 . 1 1 26 26 VAL HG21 H 1 1.033 0.020 . 2 . . . . A 26 VAL HG21 . 34154 1 313 . 1 1 26 26 VAL HG22 H 1 1.033 0.020 . 2 . . . . A 26 VAL HG22 . 34154 1 314 . 1 1 26 26 VAL HG23 H 1 1.033 0.020 . 2 . . . . A 26 VAL HG23 . 34154 1 315 . 1 1 26 26 VAL C C 13 177.303 0.400 . 1 . . . . A 26 VAL C . 34154 1 316 . 1 1 26 26 VAL CA C 13 67.399 0.400 . 1 . . . . A 26 VAL CA . 34154 1 317 . 1 1 26 26 VAL CB C 13 31.002 0.400 . 1 . . . . A 26 VAL CB . 34154 1 318 . 1 1 26 26 VAL CG1 C 13 20.929 0.400 . 2 . . . . A 26 VAL CG1 . 34154 1 319 . 1 1 26 26 VAL CG2 C 13 22.874 0.400 . 2 . . . . A 26 VAL CG2 . 34154 1 320 . 1 1 26 26 VAL N N 15 118.174 0.400 . 1 . . . . A 26 VAL N . 34154 1 321 . 1 1 27 27 LEU H H 1 8.534 0.020 . 1 . . . . A 27 LEU H . 34154 1 322 . 1 1 27 27 LEU HA H 1 3.933 0.020 . 1 . . . . A 27 LEU HA . 34154 1 323 . 1 1 27 27 LEU HB2 H 1 1.977 0.020 . 2 . . . . A 27 LEU HB2 . 34154 1 324 . 1 1 27 27 LEU HB3 H 1 1.377 0.020 . 2 . . . . A 27 LEU HB3 . 34154 1 325 . 1 1 27 27 LEU HG H 1 1.883 0.020 . 1 . . . . A 27 LEU HG . 34154 1 326 . 1 1 27 27 LEU HD11 H 1 0.818 0.020 . 2 . . . . A 27 LEU HD11 . 34154 1 327 . 1 1 27 27 LEU HD12 H 1 0.818 0.020 . 2 . . . . A 27 LEU HD12 . 34154 1 328 . 1 1 27 27 LEU HD13 H 1 0.818 0.020 . 2 . . . . A 27 LEU HD13 . 34154 1 329 . 1 1 27 27 LEU HD21 H 1 0.807 0.020 . 2 . . . . A 27 LEU HD21 . 34154 1 330 . 1 1 27 27 LEU HD22 H 1 0.807 0.020 . 2 . . . . A 27 LEU HD22 . 34154 1 331 . 1 1 27 27 LEU HD23 H 1 0.807 0.020 . 2 . . . . A 27 LEU HD23 . 34154 1 332 . 1 1 27 27 LEU C C 13 178.417 0.400 . 1 . . . . A 27 LEU C . 34154 1 333 . 1 1 27 27 LEU CA C 13 57.877 0.400 . 1 . . . . A 27 LEU CA . 34154 1 334 . 1 1 27 27 LEU CB C 13 41.007 0.400 . 1 . . . . A 27 LEU CB . 34154 1 335 . 1 1 27 27 LEU CG C 13 26.604 0.400 . 1 . . . . A 27 LEU CG . 34154 1 336 . 1 1 27 27 LEU CD1 C 13 24.860 0.400 . 2 . . . . A 27 LEU CD1 . 34154 1 337 . 1 1 27 27 LEU CD2 C 13 22.723 0.400 . 2 . . . . A 27 LEU CD2 . 34154 1 338 . 1 1 27 27 LEU N N 15 118.251 0.400 . 1 . . . . A 27 LEU N . 34154 1 339 . 1 1 28 28 GLY H H 1 8.765 0.020 . 1 . . . . A 28 GLY H . 34154 1 340 . 1 1 28 28 GLY HA2 H 1 3.757 0.020 . 2 . . . . A 28 GLY HA2 . 34154 1 341 . 1 1 28 28 GLY HA3 H 1 3.663 0.020 . 2 . . . . A 28 GLY HA3 . 34154 1 342 . 1 1 28 28 GLY C C 13 174.829 0.400 . 1 . . . . A 28 GLY C . 34154 1 343 . 1 1 28 28 GLY CA C 13 47.502 0.400 . 1 . . . . A 28 GLY CA . 34154 1 344 . 1 1 28 28 GLY N N 15 107.034 0.400 . 1 . . . . A 28 GLY N . 34154 1 345 . 1 1 29 29 VAL H H 1 8.525 0.020 . 1 . . . . A 29 VAL H . 34154 1 346 . 1 1 29 29 VAL HA H 1 3.702 0.020 . 1 . . . . A 29 VAL HA . 34154 1 347 . 1 1 29 29 VAL HB H 1 2.365 0.020 . 1 . . . . A 29 VAL HB . 34154 1 348 . 1 1 29 29 VAL HG11 H 1 0.959 0.020 . 2 . . . . A 29 VAL HG11 . 34154 1 349 . 1 1 29 29 VAL HG12 H 1 0.959 0.020 . 2 . . . . A 29 VAL HG12 . 34154 1 350 . 1 1 29 29 VAL HG13 H 1 0.959 0.020 . 2 . . . . A 29 VAL HG13 . 34154 1 351 . 1 1 29 29 VAL HG21 H 1 1.110 0.020 . 2 . . . . A 29 VAL HG21 . 34154 1 352 . 1 1 29 29 VAL HG22 H 1 1.110 0.020 . 2 . . . . A 29 VAL HG22 . 34154 1 353 . 1 1 29 29 VAL HG23 H 1 1.110 0.020 . 2 . . . . A 29 VAL HG23 . 34154 1 354 . 1 1 29 29 VAL C C 13 177.459 0.400 . 1 . . . . A 29 VAL C . 34154 1 355 . 1 1 29 29 VAL CA C 13 66.877 0.400 . 1 . . . . A 29 VAL CA . 34154 1 356 . 1 1 29 29 VAL CB C 13 31.116 0.400 . 1 . . . . A 29 VAL CB . 34154 1 357 . 1 1 29 29 VAL CG1 C 13 21.521 0.400 . 2 . . . . A 29 VAL CG1 . 34154 1 358 . 1 1 29 29 VAL CG2 C 13 23.113 0.400 . 2 . . . . A 29 VAL CG2 . 34154 1 359 . 1 1 29 29 VAL N N 15 121.454 0.400 . 1 . . . . A 29 VAL N . 34154 1 360 . 1 1 30 30 VAL H H 1 8.507 0.020 . 1 . . . . A 30 VAL H . 34154 1 361 . 1 1 30 30 VAL HA H 1 3.514 0.020 . 1 . . . . A 30 VAL HA . 34154 1 362 . 1 1 30 30 VAL HB H 1 2.240 0.020 . 1 . . . . A 30 VAL HB . 34154 1 363 . 1 1 30 30 VAL HG11 H 1 0.824 0.020 . 2 . . . . A 30 VAL HG11 . 34154 1 364 . 1 1 30 30 VAL HG12 H 1 0.824 0.020 . 2 . . . . A 30 VAL HG12 . 34154 1 365 . 1 1 30 30 VAL HG13 H 1 0.824 0.020 . 2 . . . . A 30 VAL HG13 . 34154 1 366 . 1 1 30 30 VAL HG21 H 1 1.067 0.020 . 2 . . . . A 30 VAL HG21 . 34154 1 367 . 1 1 30 30 VAL HG22 H 1 1.067 0.020 . 2 . . . . A 30 VAL HG22 . 34154 1 368 . 1 1 30 30 VAL HG23 H 1 1.067 0.020 . 2 . . . . A 30 VAL HG23 . 34154 1 369 . 1 1 30 30 VAL C C 13 177.289 0.400 . 1 . . . . A 30 VAL C . 34154 1 370 . 1 1 30 30 VAL CA C 13 67.395 0.400 . 1 . . . . A 30 VAL CA . 34154 1 371 . 1 1 30 30 VAL CB C 13 31.001 0.400 . 1 . . . . A 30 VAL CB . 34154 1 372 . 1 1 30 30 VAL CG1 C 13 21.110 0.400 . 2 . . . . A 30 VAL CG1 . 34154 1 373 . 1 1 30 30 VAL CG2 C 13 23.048 0.400 . 2 . . . . A 30 VAL CG2 . 34154 1 374 . 1 1 30 30 VAL N N 15 119.159 0.400 . 1 . . . . A 30 VAL N . 34154 1 375 . 1 1 31 31 PHE H H 1 8.944 0.020 . 1 . . . . A 31 PHE H . 34154 1 376 . 1 1 31 31 PHE HA H 1 4.305 0.020 . 1 . . . . A 31 PHE HA . 34154 1 377 . 1 1 31 31 PHE HB2 H 1 3.274 0.020 . 2 . . . . A 31 PHE HB2 . 34154 1 378 . 1 1 31 31 PHE HB3 H 1 3.175 0.020 . 2 . . . . A 31 PHE HB3 . 34154 1 379 . 1 1 31 31 PHE HD1 H 1 7.230 0.020 . 1 . . . . A 31 PHE HD1 . 34154 1 380 . 1 1 31 31 PHE HD2 H 1 7.230 0.020 . 1 . . . . A 31 PHE HD2 . 34154 1 381 . 1 1 31 31 PHE HE1 H 1 7.167 0.020 . 1 . . . . A 31 PHE HE1 . 34154 1 382 . 1 1 31 31 PHE HE2 H 1 7.167 0.020 . 1 . . . . A 31 PHE HE2 . 34154 1 383 . 1 1 31 31 PHE HZ H 1 7.116 0.020 . 1 . . . . A 31 PHE HZ . 34154 1 384 . 1 1 31 31 PHE C C 13 177.278 0.400 . 1 . . . . A 31 PHE C . 34154 1 385 . 1 1 31 31 PHE CA C 13 61.135 0.400 . 1 . . . . A 31 PHE CA . 34154 1 386 . 1 1 31 31 PHE CB C 13 38.319 0.400 . 1 . . . . A 31 PHE CB . 34154 1 387 . 1 1 31 31 PHE CD1 C 13 130.960 0.400 . 3 . . . . A 31 PHE CD1 . 34154 1 388 . 1 1 31 31 PHE CE1 C 13 130.276 0.400 . 3 . . . . A 31 PHE CE1 . 34154 1 389 . 1 1 31 31 PHE CZ C 13 128.630 0.400 . 1 . . . . A 31 PHE CZ . 34154 1 390 . 1 1 31 31 PHE N N 15 117.767 0.400 . 1 . . . . A 31 PHE N . 34154 1 391 . 1 1 32 32 GLY H H 1 8.751 0.020 . 1 . . . . A 32 GLY H . 34154 1 392 . 1 1 32 32 GLY HA2 H 1 3.755 0.020 . 2 . . . . A 32 GLY HA2 . 34154 1 393 . 1 1 32 32 GLY HA3 H 1 3.755 0.020 . 2 . . . . A 32 GLY HA3 . 34154 1 394 . 1 1 32 32 GLY C C 13 174.678 0.400 . 1 . . . . A 32 GLY C . 34154 1 395 . 1 1 32 32 GLY CA C 13 47.464 0.400 . 1 . . . . A 32 GLY CA . 34154 1 396 . 1 1 32 32 GLY N N 15 106.786 0.400 . 1 . . . . A 32 GLY N . 34154 1 397 . 1 1 33 33 ILE H H 1 8.432 0.020 . 1 . . . . A 33 ILE H . 34154 1 398 . 1 1 33 33 ILE HA H 1 3.767 0.020 . 1 . . . . A 33 ILE HA . 34154 1 399 . 1 1 33 33 ILE HB H 1 2.119 0.020 . 1 . . . . A 33 ILE HB . 34154 1 400 . 1 1 33 33 ILE HG12 H 1 1.188 0.020 . 1 . . . . A 33 ILE HG12 . 34154 1 401 . 1 1 33 33 ILE HG13 H 1 1.954 0.020 . 1 . . . . A 33 ILE HG13 . 34154 1 402 . 1 1 33 33 ILE HG21 H 1 0.917 0.020 . 1 . . . . A 33 ILE HG21 . 34154 1 403 . 1 1 33 33 ILE HG22 H 1 0.917 0.020 . 1 . . . . A 33 ILE HG22 . 34154 1 404 . 1 1 33 33 ILE HG23 H 1 0.917 0.020 . 1 . . . . A 33 ILE HG23 . 34154 1 405 . 1 1 33 33 ILE HD11 H 1 0.874 0.020 . 1 . . . . A 33 ILE HD11 . 34154 1 406 . 1 1 33 33 ILE HD12 H 1 0.874 0.020 . 1 . . . . A 33 ILE HD12 . 34154 1 407 . 1 1 33 33 ILE HD13 H 1 0.874 0.020 . 1 . . . . A 33 ILE HD13 . 34154 1 408 . 1 1 33 33 ILE C C 13 177.724 0.400 . 1 . . . . A 33 ILE C . 34154 1 409 . 1 1 33 33 ILE CA C 13 64.892 0.400 . 1 . . . . A 33 ILE CA . 34154 1 410 . 1 1 33 33 ILE CB C 13 37.685 0.400 . 1 . . . . A 33 ILE CB . 34154 1 411 . 1 1 33 33 ILE CG1 C 13 28.903 0.400 . 1 . . . . A 33 ILE CG1 . 34154 1 412 . 1 1 33 33 ILE CG2 C 13 17.014 0.400 . 1 . . . . A 33 ILE CG2 . 34154 1 413 . 1 1 33 33 ILE CD1 C 13 13.638 0.400 . 1 . . . . A 33 ILE CD1 . 34154 1 414 . 1 1 33 33 ILE N N 15 120.893 0.400 . 1 . . . . A 33 ILE N . 34154 1 415 . 1 1 34 34 LEU H H 1 8.330 0.020 . 1 . . . . A 34 LEU H . 34154 1 416 . 1 1 34 34 LEU HA H 1 4.024 0.020 . 1 . . . . A 34 LEU HA . 34154 1 417 . 1 1 34 34 LEU HB2 H 1 2.012 0.020 . 2 . . . . A 34 LEU HB2 . 34154 1 418 . 1 1 34 34 LEU HB3 H 1 1.563 0.020 . 2 . . . . A 34 LEU HB3 . 34154 1 419 . 1 1 34 34 LEU HG H 1 1.943 0.020 . 1 . . . . A 34 LEU HG . 34154 1 420 . 1 1 34 34 LEU HD11 H 1 0.881 0.020 . 2 . . . . A 34 LEU HD11 . 34154 1 421 . 1 1 34 34 LEU HD12 H 1 0.881 0.020 . 2 . . . . A 34 LEU HD12 . 34154 1 422 . 1 1 34 34 LEU HD13 H 1 0.881 0.020 . 2 . . . . A 34 LEU HD13 . 34154 1 423 . 1 1 34 34 LEU HD21 H 1 0.897 0.020 . 2 . . . . A 34 LEU HD21 . 34154 1 424 . 1 1 34 34 LEU HD22 H 1 0.897 0.020 . 2 . . . . A 34 LEU HD22 . 34154 1 425 . 1 1 34 34 LEU HD23 H 1 0.897 0.020 . 2 . . . . A 34 LEU HD23 . 34154 1 426 . 1 1 34 34 LEU C C 13 179.308 0.400 . 1 . . . . A 34 LEU C . 34154 1 427 . 1 1 34 34 LEU CA C 13 58.147 0.400 . 1 . . . . A 34 LEU CA . 34154 1 428 . 1 1 34 34 LEU CB C 13 41.499 0.400 . 1 . . . . A 34 LEU CB . 34154 1 429 . 1 1 34 34 LEU CG C 13 26.545 0.400 . 1 . . . . A 34 LEU CG . 34154 1 430 . 1 1 34 34 LEU CD1 C 13 25.594 0.400 . 2 . . . . A 34 LEU CD1 . 34154 1 431 . 1 1 34 34 LEU CD2 C 13 22.982 0.400 . 2 . . . . A 34 LEU CD2 . 34154 1 432 . 1 1 34 34 LEU N N 15 119.682 0.400 . 1 . . . . A 34 LEU N . 34154 1 433 . 1 1 35 35 ILE H H 1 8.573 0.020 . 1 . . . . A 35 ILE H . 34154 1 434 . 1 1 35 35 ILE HA H 1 3.774 0.020 . 1 . . . . A 35 ILE HA . 34154 1 435 . 1 1 35 35 ILE HB H 1 1.943 0.020 . 1 . . . . A 35 ILE HB . 34154 1 436 . 1 1 35 35 ILE HG12 H 1 1.149 0.020 . 1 . . . . A 35 ILE HG12 . 34154 1 437 . 1 1 35 35 ILE HG13 H 1 1.591 0.020 . 1 . . . . A 35 ILE HG13 . 34154 1 438 . 1 1 35 35 ILE HG21 H 1 0.895 0.020 . 1 . . . . A 35 ILE HG21 . 34154 1 439 . 1 1 35 35 ILE HG22 H 1 0.895 0.020 . 1 . . . . A 35 ILE HG22 . 34154 1 440 . 1 1 35 35 ILE HG23 H 1 0.895 0.020 . 1 . . . . A 35 ILE HG23 . 34154 1 441 . 1 1 35 35 ILE HD11 H 1 0.776 0.020 . 1 . . . . A 35 ILE HD11 . 34154 1 442 . 1 1 35 35 ILE HD12 H 1 0.776 0.020 . 1 . . . . A 35 ILE HD12 . 34154 1 443 . 1 1 35 35 ILE HD13 H 1 0.776 0.020 . 1 . . . . A 35 ILE HD13 . 34154 1 444 . 1 1 35 35 ILE C C 13 177.939 0.400 . 1 . . . . A 35 ILE C . 34154 1 445 . 1 1 35 35 ILE CA C 13 63.983 0.400 . 1 . . . . A 35 ILE CA . 34154 1 446 . 1 1 35 35 ILE CB C 13 37.236 0.400 . 1 . . . . A 35 ILE CB . 34154 1 447 . 1 1 35 35 ILE CG1 C 13 28.717 0.400 . 1 . . . . A 35 ILE CG1 . 34154 1 448 . 1 1 35 35 ILE CG2 C 13 17.478 0.400 . 1 . . . . A 35 ILE CG2 . 34154 1 449 . 1 1 35 35 ILE CD1 C 13 12.801 0.400 . 1 . . . . A 35 ILE CD1 . 34154 1 450 . 1 1 35 35 ILE N N 15 118.525 0.400 . 1 . . . . A 35 ILE N . 34154 1 451 . 1 1 36 36 LYS H H 1 8.002 0.020 . 1 . . . . A 36 LYS H . 34154 1 452 . 1 1 36 36 LYS HA H 1 4.115 0.020 . 1 . . . . A 36 LYS HA . 34154 1 453 . 1 1 36 36 LYS HB3 H 1 1.979 0.020 . 2 . . . . A 36 LYS HB3 . 34154 1 454 . 1 1 36 36 LYS HG2 H 1 1.553 0.020 . 2 . . . . A 36 LYS HG2 . 34154 1 455 . 1 1 36 36 LYS HG3 H 1 1.553 0.020 . 2 . . . . A 36 LYS HG3 . 34154 1 456 . 1 1 36 36 LYS HD3 H 1 1.731 0.020 . 2 . . . . A 36 LYS HD3 . 34154 1 457 . 1 1 36 36 LYS HE2 H 1 2.946 0.020 . 2 . . . . A 36 LYS HE2 . 34154 1 458 . 1 1 36 36 LYS HE3 H 1 2.946 0.020 . 2 . . . . A 36 LYS HE3 . 34154 1 459 . 1 1 36 36 LYS C C 13 178.612 0.400 . 1 . . . . A 36 LYS C . 34154 1 460 . 1 1 36 36 LYS CA C 13 58.380 0.400 . 1 . . . . A 36 LYS CA . 34154 1 461 . 1 1 36 36 LYS CB C 13 31.800 0.400 . 1 . . . . A 36 LYS CB . 34154 1 462 . 1 1 36 36 LYS CG C 13 24.730 0.400 . 1 . . . . A 36 LYS CG . 34154 1 463 . 1 1 36 36 LYS CD C 13 28.609 0.400 . 1 . . . . A 36 LYS CD . 34154 1 464 . 1 1 36 36 LYS CE C 13 41.660 0.400 . 1 . . . . A 36 LYS CE . 34154 1 465 . 1 1 36 36 LYS N N 15 120.469 0.400 . 1 . . . . A 36 LYS N . 34154 1 466 . 1 1 37 37 ARG H H 1 8.237 0.020 . 1 . . . . A 37 ARG H . 34154 1 467 . 1 1 37 37 ARG HA H 1 4.205 0.020 . 1 . . . . A 37 ARG HA . 34154 1 468 . 1 1 37 37 ARG HB2 H 1 2.028 0.020 . 2 . . . . A 37 ARG HB2 . 34154 1 469 . 1 1 37 37 ARG HB3 H 1 1.954 0.020 . 2 . . . . A 37 ARG HB3 . 34154 1 470 . 1 1 37 37 ARG HG2 H 1 1.874 0.020 . 2 . . . . A 37 ARG HG2 . 34154 1 471 . 1 1 37 37 ARG HG3 H 1 1.762 0.020 . 2 . . . . A 37 ARG HG3 . 34154 1 472 . 1 1 37 37 ARG HD3 H 1 3.161 0.020 . 2 . . . . A 37 ARG HD3 . 34154 1 473 . 1 1 37 37 ARG HE H 1 7.652 0.020 . 1 . . . . A 37 ARG HE . 34154 1 474 . 1 1 37 37 ARG C C 13 177.678 0.400 . 1 . . . . A 37 ARG C . 34154 1 475 . 1 1 37 37 ARG CA C 13 57.754 0.400 . 1 . . . . A 37 ARG CA . 34154 1 476 . 1 1 37 37 ARG CB C 13 30.097 0.400 . 1 . . . . A 37 ARG CB . 34154 1 477 . 1 1 37 37 ARG CG C 13 27.494 0.400 . 1 . . . . A 37 ARG CG . 34154 1 478 . 1 1 37 37 ARG CD C 13 43.380 0.400 . 1 . . . . A 37 ARG CD . 34154 1 479 . 1 1 37 37 ARG N N 15 118.112 0.400 . 1 . . . . A 37 ARG N . 34154 1 480 . 1 1 37 37 ARG NE N 15 84.444 0.400 . 1 . . . . A 37 ARG NE . 34154 1 481 . 1 1 38 38 ARG H H 1 7.841 0.020 . 1 . . . . A 38 ARG H . 34154 1 482 . 1 1 38 38 ARG HA H 1 4.242 0.020 . 1 . . . . A 38 ARG HA . 34154 1 483 . 1 1 38 38 ARG HB2 H 1 2.038 0.020 . 2 . . . . A 38 ARG HB2 . 34154 1 484 . 1 1 38 38 ARG HB3 H 1 1.952 0.020 . 2 . . . . A 38 ARG HB3 . 34154 1 485 . 1 1 38 38 ARG HG2 H 1 1.813 0.020 . 2 . . . . A 38 ARG HG2 . 34154 1 486 . 1 1 38 38 ARG HG3 H 1 1.763 0.020 . 2 . . . . A 38 ARG HG3 . 34154 1 487 . 1 1 38 38 ARG HD2 H 1 3.169 0.020 . 2 . . . . A 38 ARG HD2 . 34154 1 488 . 1 1 38 38 ARG HD3 H 1 3.210 0.020 . 2 . . . . A 38 ARG HD3 . 34154 1 489 . 1 1 38 38 ARG HE H 1 7.592 0.020 . 1 . . . . A 38 ARG HE . 34154 1 490 . 1 1 38 38 ARG C C 13 176.886 0.400 . 1 . . . . A 38 ARG C . 34154 1 491 . 1 1 38 38 ARG CA C 13 57.278 0.400 . 1 . . . . A 38 ARG CA . 34154 1 492 . 1 1 38 38 ARG CB C 13 30.011 0.400 . 1 . . . . A 38 ARG CB . 34154 1 493 . 1 1 38 38 ARG CG C 13 27.197 0.400 . 1 . . . . A 38 ARG CG . 34154 1 494 . 1 1 38 38 ARG CD C 13 43.350 0.400 . 1 . . . . A 38 ARG CD . 34154 1 495 . 1 1 38 38 ARG N N 15 119.105 0.400 . 1 . . . . A 38 ARG N . 34154 1 496 . 1 1 38 38 ARG NE N 15 84.616 0.400 . 1 . . . . A 38 ARG NE . 34154 1 497 . 1 1 39 39 GLN H H 1 8.005 0.020 . 1 . . . . A 39 GLN H . 34154 1 498 . 1 1 39 39 GLN HA H 1 4.257 0.020 . 1 . . . . A 39 GLN HA . 34154 1 499 . 1 1 39 39 GLN HB2 H 1 2.147 0.020 . 2 . . . . A 39 GLN HB2 . 34154 1 500 . 1 1 39 39 GLN HB3 H 1 2.085 0.020 . 2 . . . . A 39 GLN HB3 . 34154 1 501 . 1 1 39 39 GLN HG2 H 1 2.538 0.020 . 2 . . . . A 39 GLN HG2 . 34154 1 502 . 1 1 39 39 GLN HG3 H 1 2.455 0.020 . 2 . . . . A 39 GLN HG3 . 34154 1 503 . 1 1 39 39 GLN HE21 H 1 7.479 0.020 . 2 . . . . A 39 GLN HE21 . 34154 1 504 . 1 1 39 39 GLN HE22 H 1 6.896 0.020 . 2 . . . . A 39 GLN HE22 . 34154 1 505 . 1 1 39 39 GLN C C 13 176.246 0.400 . 1 . . . . A 39 GLN C . 34154 1 506 . 1 1 39 39 GLN CA C 13 56.410 0.400 . 1 . . . . A 39 GLN CA . 34154 1 507 . 1 1 39 39 GLN CB C 13 29.128 0.400 . 1 . . . . A 39 GLN CB . 34154 1 508 . 1 1 39 39 GLN CG C 13 33.769 0.400 . 1 . . . . A 39 GLN CG . 34154 1 509 . 1 1 39 39 GLN N N 15 118.566 0.400 . 1 . . . . A 39 GLN N . 34154 1 510 . 1 1 40 40 GLN H H 1 8.009 0.020 . 1 . . . . A 40 GLN H . 34154 1 511 . 1 1 40 40 GLN HA H 1 4.343 0.020 . 1 . . . . A 40 GLN HA . 34154 1 512 . 1 1 40 40 GLN HB2 H 1 2.164 0.020 . 2 . . . . A 40 GLN HB2 . 34154 1 513 . 1 1 40 40 GLN HB3 H 1 2.164 0.020 . 2 . . . . A 40 GLN HB3 . 34154 1 514 . 1 1 40 40 GLN HG2 H 1 2.424 0.020 . 2 . . . . A 40 GLN HG2 . 34154 1 515 . 1 1 40 40 GLN HG3 H 1 2.424 0.020 . 2 . . . . A 40 GLN HG3 . 34154 1 516 . 1 1 40 40 GLN HE21 H 1 7.479 0.020 . 2 . . . . A 40 GLN HE21 . 34154 1 517 . 1 1 40 40 GLN HE22 H 1 6.881 0.020 . 2 . . . . A 40 GLN HE22 . 34154 1 518 . 1 1 40 40 GLN C C 13 175.703 0.400 . 1 . . . . A 40 GLN C . 34154 1 519 . 1 1 40 40 GLN CA C 13 56.180 0.400 . 1 . . . . A 40 GLN CA . 34154 1 520 . 1 1 40 40 GLN CB C 13 28.868 0.400 . 1 . . . . A 40 GLN CB . 34154 1 521 . 1 1 40 40 GLN CG C 13 33.678 0.400 . 1 . . . . A 40 GLN CG . 34154 1 522 . 1 1 40 40 GLN N N 15 119.548 0.400 . 1 . . . . A 40 GLN N . 34154 1 523 . 1 1 41 41 LYS H H 1 8.080 0.020 . 1 . . . . A 41 LYS H . 34154 1 524 . 1 1 41 41 LYS HA H 1 4.300 0.020 . 1 . . . . A 41 LYS HA . 34154 1 525 . 1 1 41 41 LYS HB2 H 1 1.817 0.020 . 2 . . . . A 41 LYS HB2 . 34154 1 526 . 1 1 41 41 LYS HB3 H 1 1.882 0.020 . 2 . . . . A 41 LYS HB3 . 34154 1 527 . 1 1 41 41 LYS HG3 H 1 1.439 0.020 . 2 . . . . A 41 LYS HG3 . 34154 1 528 . 1 1 41 41 LYS HD2 H 1 1.698 0.020 . 2 . . . . A 41 LYS HD2 . 34154 1 529 . 1 1 41 41 LYS HD3 H 1 1.698 0.020 . 2 . . . . A 41 LYS HD3 . 34154 1 530 . 1 1 41 41 LYS HE2 H 1 3.022 0.020 . 2 . . . . A 41 LYS HE2 . 34154 1 531 . 1 1 41 41 LYS HE3 H 1 3.022 0.020 . 2 . . . . A 41 LYS HE3 . 34154 1 532 . 1 1 41 41 LYS C C 13 176.110 0.400 . 1 . . . . A 41 LYS C . 34154 1 533 . 1 1 41 41 LYS CA C 13 56.099 0.400 . 1 . . . . A 41 LYS CA . 34154 1 534 . 1 1 41 41 LYS CB C 13 32.683 0.400 . 1 . . . . A 41 LYS CB . 34154 1 535 . 1 1 41 41 LYS CG C 13 24.480 0.400 . 1 . . . . A 41 LYS CG . 34154 1 536 . 1 1 41 41 LYS CD C 13 28.879 0.400 . 1 . . . . A 41 LYS CD . 34154 1 537 . 1 1 41 41 LYS CE C 13 41.952 0.400 . 1 . . . . A 41 LYS CE . 34154 1 538 . 1 1 41 41 LYS N N 15 121.404 0.400 . 1 . . . . A 41 LYS N . 34154 1 539 . 1 1 42 42 ILE H H 1 7.999 0.020 . 1 . . . . A 42 ILE H . 34154 1 540 . 1 1 42 42 ILE HA H 1 4.178 0.020 . 1 . . . . A 42 ILE HA . 34154 1 541 . 1 1 42 42 ILE HB H 1 1.908 0.020 . 1 . . . . A 42 ILE HB . 34154 1 542 . 1 1 42 42 ILE HG12 H 1 1.239 0.020 . 1 . . . . A 42 ILE HG12 . 34154 1 543 . 1 1 42 42 ILE HG13 H 1 1.519 0.020 . 1 . . . . A 42 ILE HG13 . 34154 1 544 . 1 1 42 42 ILE HG21 H 1 0.931 0.020 . 1 . . . . A 42 ILE HG21 . 34154 1 545 . 1 1 42 42 ILE HG22 H 1 0.931 0.020 . 1 . . . . A 42 ILE HG22 . 34154 1 546 . 1 1 42 42 ILE HG23 H 1 0.931 0.020 . 1 . . . . A 42 ILE HG23 . 34154 1 547 . 1 1 42 42 ILE HD11 H 1 0.892 0.020 . 1 . . . . A 42 ILE HD11 . 34154 1 548 . 1 1 42 42 ILE HD12 H 1 0.892 0.020 . 1 . . . . A 42 ILE HD12 . 34154 1 549 . 1 1 42 42 ILE HD13 H 1 0.892 0.020 . 1 . . . . A 42 ILE HD13 . 34154 1 550 . 1 1 42 42 ILE C C 13 175.498 0.400 . 1 . . . . A 42 ILE C . 34154 1 551 . 1 1 42 42 ILE CA C 13 60.966 0.400 . 1 . . . . A 42 ILE CA . 34154 1 552 . 1 1 42 42 ILE CB C 13 38.391 0.400 . 1 . . . . A 42 ILE CB . 34154 1 553 . 1 1 42 42 ILE CG1 C 13 27.088 0.400 . 1 . . . . A 42 ILE CG1 . 34154 1 554 . 1 1 42 42 ILE CG2 C 13 17.247 0.400 . 1 . . . . A 42 ILE CG2 . 34154 1 555 . 1 1 42 42 ILE CD1 C 13 12.599 0.400 . 1 . . . . A 42 ILE CD1 . 34154 1 556 . 1 1 42 42 ILE N N 15 121.177 0.400 . 1 . . . . A 42 ILE N . 34154 1 557 . 1 1 43 43 ARG H H 1 8.235 0.020 . 1 . . . . A 43 ARG H . 34154 1 558 . 1 1 43 43 ARG HA H 1 4.356 0.020 . 1 . . . . A 43 ARG HA . 34154 1 559 . 1 1 43 43 ARG HB2 H 1 1.896 0.020 . 2 . . . . A 43 ARG HB2 . 34154 1 560 . 1 1 43 43 ARG HB3 H 1 1.787 0.020 . 2 . . . . A 43 ARG HB3 . 34154 1 561 . 1 1 43 43 ARG HG2 H 1 1.669 0.020 . 2 . . . . A 43 ARG HG2 . 34154 1 562 . 1 1 43 43 ARG HG3 H 1 1.688 0.020 . 2 . . . . A 43 ARG HG3 . 34154 1 563 . 1 1 43 43 ARG HD2 H 1 3.234 0.020 . 2 . . . . A 43 ARG HD2 . 34154 1 564 . 1 1 43 43 ARG HD3 H 1 3.234 0.020 . 2 . . . . A 43 ARG HD3 . 34154 1 565 . 1 1 43 43 ARG HE H 1 7.227 0.020 . 1 . . . . A 43 ARG HE . 34154 1 566 . 1 1 43 43 ARG C C 13 174.735 0.400 . 1 . . . . A 43 ARG C . 34154 1 567 . 1 1 43 43 ARG CA C 13 55.658 0.400 . 1 . . . . A 43 ARG CA . 34154 1 568 . 1 1 43 43 ARG CB C 13 30.683 0.400 . 1 . . . . A 43 ARG CB . 34154 1 569 . 1 1 43 43 ARG CG C 13 26.890 0.400 . 1 . . . . A 43 ARG CG . 34154 1 570 . 1 1 43 43 ARG CD C 13 43.106 0.400 . 1 . . . . A 43 ARG CD . 34154 1 571 . 1 1 43 43 ARG N N 15 125.407 0.400 . 1 . . . . A 43 ARG N . 34154 1 572 . 1 1 43 43 ARG NE N 15 85.192 0.400 . 1 . . . . A 43 ARG NE . 34154 1 573 . 1 1 44 44 LYS H H 1 7.987 0.020 . 1 . . . . A 44 LYS H . 34154 1 574 . 1 1 44 44 LYS HA H 1 4.204 0.020 . 1 . . . . A 44 LYS HA . 34154 1 575 . 1 1 44 44 LYS HB2 H 1 1.846 0.020 . 2 . . . . A 44 LYS HB2 . 34154 1 576 . 1 1 44 44 LYS HB3 H 1 1.752 0.020 . 2 . . . . A 44 LYS HB3 . 34154 1 577 . 1 1 44 44 LYS HG2 H 1 1.513 0.020 . 2 . . . . A 44 LYS HG2 . 34154 1 578 . 1 1 44 44 LYS HD2 H 1 1.725 0.020 . 2 . . . . A 44 LYS HD2 . 34154 1 579 . 1 1 44 44 LYS HD3 H 1 1.725 0.020 . 2 . . . . A 44 LYS HD3 . 34154 1 580 . 1 1 44 44 LYS HE2 H 1 3.005 0.020 . 2 . . . . A 44 LYS HE2 . 34154 1 581 . 1 1 44 44 LYS HE3 H 1 3.005 0.020 . 2 . . . . A 44 LYS HE3 . 34154 1 582 . 1 1 44 44 LYS C C 13 180.259 0.400 . 1 . . . . A 44 LYS C . 34154 1 583 . 1 1 44 44 LYS CA C 13 57.120 0.400 . 1 . . . . A 44 LYS CA . 34154 1 584 . 1 1 44 44 LYS CB C 13 33.351 0.400 . 1 . . . . A 44 LYS CB . 34154 1 585 . 1 1 44 44 LYS CG C 13 24.512 0.400 . 1 . . . . A 44 LYS CG . 34154 1 586 . 1 1 44 44 LYS CD C 13 28.802 0.400 . 1 . . . . A 44 LYS CD . 34154 1 587 . 1 1 44 44 LYS CE C 13 41.659 0.400 . 1 . . . . A 44 LYS CE . 34154 1 588 . 1 1 44 44 LYS N N 15 127.662 0.400 . 1 . . . . A 44 LYS N . 34154 1 stop_ save_